index,Instruction,molecule,removed_group,added_group
208406,Substitute a nitro in the molecule O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)ccc1[N+](=O)[O-] with hydroxyl.,O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)ccc1[N+](=O)[O-],nitro,hydroxyl
146239,Modify the molecule COc1ccc(F)c(NC2=[NH+]CCCCC2)c1 by replacing a halo by aldehyde.,COc1ccc(F)c(NC2=[NH+]CCCCC2)c1,halo,aldehyde
41592,Please substitute a halo in the molecule COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 by thiol.,COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1,halo,thiol
181147,Please replace a hydroxyl in the molecule C[C@H](O)CC[NH+](C)Cc1ccn(Cc2ccccc2)c1 with nitrile.,C[C@H](O)CC[NH+](C)Cc1ccn(Cc2ccccc2)c1,hydroxyl,nitrile
111333,Please substitute a halo in the molecule CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 by hydroxyl.,CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1,halo,hydroxyl
6833,Modify the molecule Oc1ccc(Cn2ccc(C[NH2+]C3CC3)n2)cc1 by substituting a hydroxyl with carboxyl.,Oc1ccc(Cn2ccc(C[NH2+]C3CC3)n2)cc1,hydroxyl,carboxyl
81689,Modify the molecule CC1(C)C(=O)N(Cc2ccccc2Br)S1(=O)=O by replacing a halo by nitrile.,CC1(C)C(=O)N(Cc2ccccc2Br)S1(=O)=O,halo,nitrile
116978,Please replace a nitrile in the molecule CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 with aldehyde.,CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1,nitrile,aldehyde
224,Modify the molecule O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 by replacing a halo by hydroxyl.,O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1,halo,hydroxyl
59518,Replace a halo in the molecule Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F by carboxyl.,Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F,halo,carboxyl
74057,Replace a hydroxyl in the molecule C[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)CCC1(C)C by carboxyl.,C[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)CCC1(C)C,hydroxyl,carboxyl
128075,Please replace a hydroxyl in the molecule C[C@H](O)C[C@H](C)CNC(=O)COc1cc(Cl)cc(Cl)c1 with aldehyde.,C[C@H](O)C[C@H](C)CNC(=O)COc1cc(Cl)cc(Cl)c1,hydroxyl,aldehyde
3607,Replace a halo in the molecule COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 by carboxyl.,COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1,halo,carboxyl
129681,Substitute a halo in the molecule Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 with hydroxyl.,Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1,halo,hydroxyl
178677,Please substitute a halo in the molecule O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 by nitrile.,O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1,halo,nitrile
108250,Modify the molecule C[S@](=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 by substituting a halo with hydroxyl.,C[S@](=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1,halo,hydroxyl
101372,Modify the molecule O=C(c1ccccc1Br)N1CCC[C@H](c2nnc3ccccn23)C1 by substituting a halo with thiol.,O=C(c1ccccc1Br)N1CCC[C@H](c2nnc3ccccn23)C1,halo,thiol
246780,Modify the molecule C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F by replacing a nitrile by halo.,C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F,nitrile,halo
90996,Substitute a halo in the molecule O=C(CSC1=[NH+]CCN1)Nc1cccc(Cl)c1N1CCCCC1 with hydroxyl.,O=C(CSC1=[NH+]CCN1)Nc1cccc(Cl)c1N1CCCCC1,halo,hydroxyl
203002,Please substitute a halo in the molecule Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1C by carboxyl.,Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1C,halo,carboxyl
54480,Please replace a hydroxyl in the molecule C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO with aldehyde.,C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO,hydroxyl,aldehyde
137690,Substitute a halo in the molecule CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC with nitro.,CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC,halo,nitro
33636,Replace a halo in the molecule CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1 by aldehyde.,CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1,halo,aldehyde
212371,Substitute a hydroxyl in the molecule Cc1nc(C[C@@H]2CCC[NH+](Cc3cccc(O)c3)C2)no1 with carboxyl.,Cc1nc(C[C@@H]2CCC[NH+](Cc3cccc(O)c3)C2)no1,hydroxyl,carboxyl
176920,Substitute a halo in the molecule C[C@H]1CCN(Cc2nccn2C(F)F)CC[NH+]1Cc1ccccc1 with thiol.,C[C@H]1CCN(Cc2nccn2C(F)F)CC[NH+]1Cc1ccccc1,halo,thiol
49060,Substitute a halo in the molecule C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F with nitrile.,C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F,halo,nitrile
190324,Substitute a hydroxyl in the molecule C[C@@H](O)[C@@H]1CCC[NH+](CC(=O)N(C)CC(=O)NC2CC2)C1 with nitrile.,C[C@@H](O)[C@@H]1CCC[NH+](CC(=O)N(C)CC(=O)NC2CC2)C1,hydroxyl,nitrile
197359,Please replace a hydroxyl in the molecule Nc1cccnc1SCc1cc(=O)c(O)co1 with carboxyl.,Nc1cccnc1SCc1cc(=O)c(O)co1,hydroxyl,carboxyl
189672,Substitute a halo in the molecule C=CCCOc1cc(Br)ccc1OC with carboxyl.,C=CCCOc1cc(Br)ccc1OC,halo,carboxyl
81585,Replace a hydroxyl in the molecule CC[NH2+]CC[C@](C)(O)c1cccc(OCC)c1 by thiol.,CC[NH2+]CC[C@](C)(O)c1cccc(OCC)c1,hydroxyl,thiol
143881,Please substitute a halo in the molecule O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F by aldehyde.,O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F,halo,aldehyde
240762,Replace a halo in the molecule O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 by nitro.,O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1,halo,nitro
146639,Modify the molecule CN(C)c1ccc([C@H](O)CNC(=O)C2CCCC2)cc1 by substituting a hydroxyl with carboxyl.,CN(C)c1ccc([C@H](O)CNC(=O)C2CCCC2)cc1,hydroxyl,carboxyl
125801,Substitute a halo in the molecule Cc1c(Cl)cccc1N[C@H](C)c1nc(C(C)C)no1 with aldehyde.,Cc1c(Cl)cccc1N[C@H](C)c1nc(C(C)C)no1,halo,aldehyde
125828,Substitute a halo in the molecule Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 with nitro.,Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1,halo,nitro
48154,Replace a halo in the molecule Cc1ccc(OCc2ccncc2Cl)c(CCl)n1 by aldehyde.,Cc1ccc(OCc2ccncc2Cl)c(CCl)n1,halo,aldehyde
171159,Substitute a halo in the molecule COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 with aldehyde.,COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1,halo,aldehyde
103151,Modify the molecule CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 by substituting a halo with thiol.,CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1,halo,thiol
10492,Please replace a halo in the molecule C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F with nitrile.,C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F,halo,nitrile
234004,Modify the molecule COc1ccc(C)cc1NS(=O)(=O)c1cccc(C#N)c1 by replacing a nitrile by aldehyde.,COc1ccc(C)cc1NS(=O)(=O)c1cccc(C#N)c1,nitrile,aldehyde
137017,Please substitute a nitrile in the molecule N#Cc1cccc(NC(=O)CCNC(=O)Nc2ccccc2)c1 by hydroxyl.,N#Cc1cccc(NC(=O)CCNC(=O)Nc2ccccc2)c1,nitrile,hydroxyl
175139,Substitute a hydroxyl in the molecule Cc1[nH]cnc1C[NH+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 with carboxyl.,Cc1[nH]cnc1C[NH+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1,hydroxyl,carboxyl
85956,Please replace a halo in the molecule COCc1cc(N)nc(-c2cncc(Br)c2)n1 with thiol.,COCc1cc(N)nc(-c2cncc(Br)c2)n1,halo,thiol
138944,Please replace a nitrile in the molecule CC(C)[NH+](CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C with nitro.,CC(C)[NH+](CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C,nitrile,nitro
51453,Replace a halo in the molecule Cc1n[nH]c2cc(NC(=O)c3c(O)cc(F)cc3F)ccc12 by nitrile.,Cc1n[nH]c2cc(NC(=O)c3c(O)cc(F)cc3F)ccc12,halo,nitrile
49164,Substitute a halo in the molecule O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1 with thiol.,O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1,halo,thiol
23549,Modify the molecule Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F by substituting a halo with thiol.,Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F,halo,thiol
142445,Replace a halo in the molecule CN(Cc1cnn(C)c1)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2 by thiol.,CN(Cc1cnn(C)c1)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2,halo,thiol
11326,Please replace a hydroxyl in the molecule Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2 with nitro.,Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2,hydroxyl,nitro
156554,Please substitute a halo in the molecule FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 by nitro.,FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1,halo,nitro
74830,Modify the molecule Cc1nc(C)n(C[C@H](O)COCc2ccccc2)n1 by replacing a hydroxyl by nitrile.,Cc1nc(C)n(C[C@H](O)COCc2ccccc2)n1,hydroxyl,nitrile
107391,Replace a halo in the molecule Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C by thiol.,Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C,halo,thiol
180679,Replace a nitrile in the molecule Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C#N)n3)c2C)cc1C by aldehyde.,Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc(C#N)n3)c2C)cc1C,nitrile,aldehyde
10335,Modify the molecule CCCC1CCC(C[NH3+])([C@H](O)c2c(F)cccc2F)CC1 by substituting a hydroxyl with nitrile.,CCCC1CCC(C[NH3+])([C@H](O)c2c(F)cccc2F)CC1,hydroxyl,nitrile
37064,Replace a nitro in the molecule Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 by nitrile.,Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1,nitro,nitrile
61642,Please substitute a nitro in the molecule O=C([O-])c1nc(/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1 by hydroxyl.,O=C([O-])c1nc(/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1,nitro,hydroxyl
108504,Modify the molecule CCOc1ccc(-c2c[nH]c(-c3ccc(O)cc3)[nH+]2)cc1 by replacing a hydroxyl by nitro.,CCOc1ccc(-c2c[nH]c(-c3ccc(O)cc3)[nH+]2)cc1,hydroxyl,nitro
74517,Modify the molecule Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCc2c(O)cccc21 by substituting a hydroxyl with carboxyl.,Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCc2c(O)cccc21,hydroxyl,carboxyl
172007,Substitute a halo in the molecule Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 with hydroxyl.,Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,halo,hydroxyl
168287,Modify the molecule [NH3+][C@H](Cc1ccc(F)cc1F)c1c(Cl)cccc1Cl by substituting a halo with hydroxyl.,[NH3+][C@H](Cc1ccc(F)cc1F)c1c(Cl)cccc1Cl,halo,hydroxyl
47800,Substitute a nitrile in the molecule Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1C with aldehyde.,Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1C,nitrile,aldehyde
230110,Modify the molecule CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 by replacing a halo by nitrile.,CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12,halo,nitrile
59653,Modify the molecule C[C@@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccc(N2CCC(O)CC2)cc1 by substituting a hydroxyl with nitrile.,C[C@@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccc(N2CCC(O)CC2)cc1,hydroxyl,nitrile
45486,Modify the molecule Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1 by substituting a halo with aldehyde.,Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1,halo,aldehyde
189070,Replace a halo in the molecule O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)NC[C@@H]1CCCO1 by thiol.,O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)NC[C@@H]1CCCO1,halo,thiol
34979,Substitute a halo in the molecule COc1ccc(CC(=O)C[NH+](C)C)cc1F with thiol.,COc1ccc(CC(=O)C[NH+](C)C)cc1F,halo,thiol
74536,Modify the molecule O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 by substituting a halo with nitro.,O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12,halo,nitro
204679,Modify the molecule CC(C)c1ccc(OCc2nnc(S)n2C)cc1 by replacing a thiol by hydroxyl.,CC(C)c1ccc(OCc2nnc(S)n2C)cc1,thiol,hydroxyl
164377,Replace a hydroxyl in the molecule O=c1c2ccccc2[nH]c2ccc(O)cc12 by aldehyde.,O=c1c2ccccc2[nH]c2ccc(O)cc12,hydroxyl,aldehyde
154996,Modify the molecule O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC1 by substituting a halo with nitrile.,O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC1,halo,nitrile
27873,Modify the molecule Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O by replacing a halo by nitrile.,Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O,halo,nitrile
178134,Substitute a hydroxyl in the molecule CCCC[C@](C)(O)C1(C)CC1 with aldehyde.,CCCC[C@](C)(O)C1(C)CC1,hydroxyl,aldehyde
168033,Please substitute a halo in the molecule CC(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 by aldehyde.,CC(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1,halo,aldehyde
77160,Please substitute a halo in the molecule CC[C@H](C)c1ccccc1Oc1cccc(F)c1C(=O)[O-] by carboxyl.,CC[C@H](C)c1ccccc1Oc1cccc(F)c1C(=O)[O-],halo,carboxyl
221962,Substitute a nitro in the molecule C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 with carboxyl.,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2cc([N+](=O)[O-])ccc2n1,nitro,carboxyl
43309,Modify the molecule CN/C([O-])=C(\C#N)C(=O)CCn1nnc2ccccc2c1=O by substituting a nitrile with aldehyde.,CN/C([O-])=C(\C#N)C(=O)CCn1nnc2ccccc2c1=O,nitrile,aldehyde
55451,Modify the molecule Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)c(Cl)c1 by substituting a halo with thiol.,Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)c(Cl)c1,halo,thiol
19458,Please replace a halo in the molecule O=C(NNc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1 with aldehyde.,O=C(NNc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1,halo,aldehyde
162595,Please substitute a nitrile in the molecule CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)c1C by aldehyde.,CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)c1C,nitrile,aldehyde
73529,Please replace a halo in the molecule CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Br with thiol.,CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Br,halo,thiol
146302,Please replace a hydroxyl in the molecule Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1O with halo.,Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1O,hydroxyl,halo
49279,Please substitute a nitrile in the molecule COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O by thiol.,COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O,nitrile,thiol
243966,Please replace a hydroxyl in the molecule CN(O)[C@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C1 with aldehyde.,CN(O)[C@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C1,hydroxyl,aldehyde
71931,Modify the molecule CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 by replacing a halo by hydroxyl.,CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,halo,hydroxyl
188094,Modify the molecule COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 by substituting a hydroxyl with carboxyl.,COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1,hydroxyl,carboxyl
208458,Please replace a halo in the molecule COc1ccc(S(=O)(=O)/N=c2\[nH]cc(C)s2)cc1Br with aldehyde.,COc1ccc(S(=O)(=O)/N=c2\[nH]cc(C)s2)cc1Br,halo,aldehyde
132282,Please replace a halo in the molecule CC(C)Oc1cccc(-c2ccc(F)c(C[NH3+])c2)c1 with carboxyl.,CC(C)Oc1cccc(-c2ccc(F)c(C[NH3+])c2)c1,halo,carboxyl
28062,Please replace a halo in the molecule COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F with hydroxyl.,COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F,halo,hydroxyl
125869,Substitute a halo in the molecule CCC(CC)CN(CC)C(=O)c1cccc(OC)c1F with hydroxyl.,CCC(CC)CN(CC)C(=O)c1cccc(OC)c1F,halo,hydroxyl
24140,Modify the molecule C[C@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl by replacing a halo by hydroxyl.,C[C@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl,halo,hydroxyl
21937,Please replace a halo in the molecule Cc1ccnc(-c2ccc(NCc3ccc(F)cc3F)cc2)n1 with nitro.,Cc1ccnc(-c2ccc(NCc3ccc(F)cc3F)cc2)n1,halo,nitro
76782,Please replace a halo in the molecule Cc1cccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)c1 with aldehyde.,Cc1cccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)c1,halo,aldehyde
213731,Please replace a halo in the molecule Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 with aldehyde.,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1,halo,aldehyde
6299,Replace a hydroxyl in the molecule C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO by halo.,C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO,hydroxyl,halo
77709,Please replace a halo in the molecule CCC1CCC(C[NH3+])([C@@H](O)c2ccccc2F)CC1 with carboxyl.,CCC1CCC(C[NH3+])([C@@H](O)c2ccccc2F)CC1,halo,carboxyl
163419,Modify the molecule CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 by replacing a nitrile by aldehyde.,CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1,nitrile,aldehyde
161183,Please substitute a nitrile in the molecule CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F by aldehyde.,CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F,nitrile,aldehyde
173490,Replace a halo in the molecule NC(=O)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1Cl by thiol.,NC(=O)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1Cl,halo,thiol
140611,Modify the molecule COc1ccc(NCC(=O)N(C)C)cc1Cl by substituting a halo with hydroxyl.,COc1ccc(NCC(=O)N(C)C)cc1Cl,halo,hydroxyl
15481,Modify the molecule O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1 by substituting a nitro with nitrile.,O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1,nitro,nitrile
138708,Modify the molecule Cc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F by substituting a hydroxyl with aldehyde.,Cc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1F,hydroxyl,aldehyde
57059,Please substitute a halo in the molecule CC(C)(C)OC(=O)C1CCC(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 by aldehyde.,CC(C)(C)OC(=O)C1CCC(NC(=O)[C@]2(C)CC2(Cl)Cl)CC1,halo,aldehyde
138773,Modify the molecule COc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)cc1 by replacing a halo by thiol.,COc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)cc1,halo,thiol
185035,Modify the molecule N#CC1(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CCCCC1 by substituting a nitrile with hydroxyl.,N#CC1(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CCCCC1,nitrile,hydroxyl
102601,Modify the molecule Cc1cc(I)ccc1NC(=O)COC(=O)CCc1ccccc1 by substituting a halo with nitrile.,Cc1cc(I)ccc1NC(=O)COC(=O)CCc1ccccc1,halo,nitrile
231551,Please substitute a halo in the molecule COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl by nitrile.,COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl,halo,nitrile
3512,Modify the molecule NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 by substituting a halo with thiol.,NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1,halo,thiol
142948,Modify the molecule CC[NH+]1CCN(CCCl)CC1 by replacing a halo by carboxyl.,CC[NH+]1CCN(CCCl)CC1,halo,carboxyl
139801,Replace a nitrile in the molecule Cc1nnc(COc2ccc(C#N)cc2Cl)o1 by aldehyde.,Cc1nnc(COc2ccc(C#N)cc2Cl)o1,nitrile,aldehyde
8794,Substitute a halo in the molecule CC(C)[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 with aldehyde.,CC(C)[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21,halo,aldehyde
162,Replace a hydroxyl in the molecule Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)c(=O)c3ccccc3n2n1 by halo.,Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)c(=O)c3ccccc3n2n1,hydroxyl,halo
217209,Please replace a nitro in the molecule C[S@](=O)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 with hydroxyl.,C[S@](=O)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1,nitro,hydroxyl
198277,Modify the molecule O[C@H]1CO[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H]1O by substituting a hydroxyl with aldehyde.,O[C@H]1CO[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H]1O,hydroxyl,aldehyde
71162,Replace a nitro in the molecule CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] by nitrile.,CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-],nitro,nitrile
127592,Please substitute a halo in the molecule CC[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccc(Br)cc1 by carboxyl.,CC[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccc(Br)cc1,halo,carboxyl
249023,Replace a halo in the molecule O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1 by carboxyl.,O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1,halo,carboxyl
124869,Modify the molecule C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2)CC1 by substituting a halo with nitro.,C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2)CC1,halo,nitro
111051,Substitute a nitrile in the molecule N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 with halo.,N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1,nitrile,halo
211576,Modify the molecule O=C(NCCOc1ncccc1Cl)c1ccccc1C(F)(F)F by substituting a halo with thiol.,O=C(NCCOc1ncccc1Cl)c1ccccc1C(F)(F)F,halo,thiol
88832,Please substitute a halo in the molecule O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1 by thiol.,O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1,halo,thiol
64715,Please substitute a halo in the molecule CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 by carboxyl.,CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1,halo,carboxyl
42759,Modify the molecule COc1ccc2c(c1)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-] by substituting a halo with thiol.,COc1ccc2c(c1)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-],halo,thiol
164719,Replace a halo in the molecule Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1 by carboxyl.,Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1,halo,carboxyl
85970,Replace a hydroxyl in the molecule CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl by thiol.,CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl,hydroxyl,thiol
113075,Substitute a halo in the molecule O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1 with thiol.,O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1,halo,thiol
25338,Please replace a nitrile in the molecule N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 with halo.,N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1,nitrile,halo
126080,Please substitute a halo in the molecule C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br by hydroxyl.,C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br,halo,hydroxyl
134651,Please substitute a nitrile in the molecule N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 by carboxyl.,N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1,nitrile,carboxyl
248196,Modify the molecule CC(C)(CNC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1 by replacing a halo by carboxyl.,CC(C)(CNC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1,halo,carboxyl
61540,Substitute a halo in the molecule O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2 with aldehyde.,O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2,halo,aldehyde
44629,Substitute a halo in the molecule C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1 with nitrile.,C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1,halo,nitrile
36452,Please substitute a nitrile in the molecule Cc1nnc(N(C)C[C@H]2CCC[NH+]2C)c(C#N)c1C by halo.,Cc1nnc(N(C)C[C@H]2CCC[NH+]2C)c(C#N)c1C,nitrile,halo
129482,Substitute a halo in the molecule O=C(Nc1ccc(Br)cn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 with hydroxyl.,O=C(Nc1ccc(Br)cn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1,halo,hydroxyl
167697,Please substitute a nitrile in the molecule CS(=O)(=O)N1CCC[C@H](COc2ccc(CC#N)cc2)C1 by halo.,CS(=O)(=O)N1CCC[C@H](COc2ccc(CC#N)cc2)C1,nitrile,halo
181812,Modify the molecule CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1 by substituting a halo with nitrile.,CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1,halo,nitrile
202083,Modify the molecule Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)s1 by replacing a hydroxyl by halo.,Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)s1,hydroxyl,halo
195741,Replace a halo in the molecule CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl by carboxyl.,CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl,halo,carboxyl
185723,Modify the molecule C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 by replacing a nitro by carboxyl.,C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1,nitro,carboxyl
220937,Please substitute a halo in the molecule CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 by thiol.,CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1,halo,thiol
114241,Please replace a hydroxyl in the molecule Cc1cc(NC(=O)CCc2ccccc2O)ccc1N1CC[NH+](C)CC1 with nitrile.,Cc1cc(NC(=O)CCc2ccccc2O)ccc1N1CC[NH+](C)CC1,hydroxyl,nitrile
215751,Modify the molecule C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1 by replacing a halo by aldehyde.,C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1,halo,aldehyde
134806,Please substitute a halo in the molecule O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br by nitro.,O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br,halo,nitro
4244,Replace a nitrile in the molecule N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 by thiol.,N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1,nitrile,thiol
24906,Substitute a halo in the molecule Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1=C[C@@H]2N=CC=C2C=C1 with thiol.,Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1=C[C@@H]2N=CC=C2C=C1,halo,thiol
247095,Modify the molecule Cc1ccc(NCc2c(F)cccc2F)c(C)n1 by replacing a halo by carboxyl.,Cc1ccc(NCc2c(F)cccc2F)c(C)n1,halo,carboxyl
200396,Please substitute a halo in the molecule CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 by nitro.,CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1,halo,nitro
34352,Modify the molecule C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C by replacing a halo by aldehyde.,C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C,halo,aldehyde
37514,Replace a halo in the molecule Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 by carboxyl.,Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1,halo,carboxyl
14823,Please substitute a nitro in the molecule Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 by aldehyde.,Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1,nitro,aldehyde
188325,Replace a nitrile in the molecule CC(C)(C)C[NH2+]Cc1cc(C#N)cs1 by nitro.,CC(C)(C)C[NH2+]Cc1cc(C#N)cs1,nitrile,nitro
169514,Replace a halo in the molecule CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br by hydroxyl.,CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br,halo,hydroxyl
132815,Modify the molecule CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 by substituting a halo with thiol.,CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1,halo,thiol
216291,Modify the molecule Cc1ccc2nc([C@@H](C)Cl)n(-c3cnn(C)c3)c2c1 by substituting a halo with thiol.,Cc1ccc2nc([C@@H](C)Cl)n(-c3cnn(C)c3)c2c1,halo,thiol
145323,Please substitute a halo in the molecule CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)c(F)c1 by hydroxyl.,CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)c(F)c1,halo,hydroxyl
14622,Modify the molecule O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 by substituting a nitro with aldehyde.,O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1,nitro,aldehyde
166490,Please substitute a halo in the molecule O=C(CCCOc1ccccc1F)N[C@H]1c2ccccc2C[C@@H]1O by hydroxyl.,O=C(CCCOc1ccccc1F)N[C@H]1c2ccccc2C[C@@H]1O,halo,hydroxyl
211836,Substitute a nitrile in the molecule N#C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 with carboxyl.,N#C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1,nitrile,carboxyl
180388,Modify the molecule Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C by substituting a halo with nitro.,Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C,halo,nitro
87529,Modify the molecule CC(C)(C)OC(=O)Oc1ccc(F)c(F)c1 by substituting a halo with nitro.,CC(C)(C)OC(=O)Oc1ccc(F)c(F)c1,halo,nitro
171129,Please substitute a nitro in the molecule Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 by carboxyl.,Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1,nitro,carboxyl
99450,Modify the molecule C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1 by substituting a halo with hydroxyl.,C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1,halo,hydroxyl
177560,Please replace a hydroxyl in the molecule CC1CCC(C[NH3+])([C@@H](O)c2ccccc2Br)CC1 with nitro.,CC1CCC(C[NH3+])([C@@H](O)c2ccccc2Br)CC1,hydroxyl,nitro
156682,Replace a halo in the molecule Cc1ccc(-c2ncco2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 by thiol.,Cc1ccc(-c2ncco2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12,halo,thiol
159835,Please substitute a nitrile in the molecule Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1 by thiol.,Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1,nitrile,thiol
228639,Replace a halo in the molecule COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 by nitrile.,COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1,halo,nitrile
226961,Please replace a halo in the molecule CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 with carboxyl.,CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1,halo,carboxyl
42592,Modify the molecule Fc1cccc(Br)c1CN1CCC([NH+]2CCCC2)CC1 by replacing a halo by nitrile.,Fc1cccc(Br)c1CN1CCC([NH+]2CCCC2)CC1,halo,nitrile
25849,Substitute a hydroxyl in the molecule O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F with halo.,O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F,hydroxyl,halo
190848,Substitute a halo in the molecule N/C(=N\OCc1ccc(Cl)c(Cl)c1)c1nonc1N with thiol.,N/C(=N\OCc1ccc(Cl)c(Cl)c1)c1nonc1N,halo,thiol
3027,Modify the molecule CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2)cs1 by substituting a halo with nitrile.,CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2)cs1,halo,nitrile
148699,Modify the molecule N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1 by substituting a nitrile with nitro.,N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1,nitrile,nitro
230027,Replace a halo in the molecule O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1 by carboxyl.,O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1,halo,carboxyl
193132,Modify the molecule C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 by substituting a halo with nitro.,C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](c2ccc(F)cc2)O1,halo,nitro
66519,Please replace a nitro in the molecule Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c([N+](=O)[O-])c1 with halo.,Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c([N+](=O)[O-])c1,nitro,halo
218511,Modify the molecule CC(C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 by replacing a halo by thiol.,CC(C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1,halo,thiol
207251,Modify the molecule Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1ccc(=O)n(C)c1=O by replacing a nitro by thiol.,Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1ccc(=O)n(C)c1=O,nitro,thiol
17561,Modify the molecule CC(C)c1nc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 by substituting a halo with carboxyl.,CC(C)c1nc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1,halo,carboxyl
48650,Modify the molecule CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 by replacing a halo by hydroxyl.,CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1,halo,hydroxyl
247388,Modify the molecule O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2C1 by replacing a halo by aldehyde.,O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2C1,halo,aldehyde
21440,Please substitute a halo in the molecule CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C by hydroxyl.,CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C,halo,hydroxyl
242908,Modify the molecule C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1O by substituting a hydroxyl with halo.,C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1O,hydroxyl,halo
218536,Please replace a halo in the molecule C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)ccc1C(=O)[O-] with nitro.,C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)ccc1C(=O)[O-],halo,nitro
229339,Substitute a hydroxyl in the molecule Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(CCO)C3=O with thiol.,Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(CCO)C3=O,hydroxyl,thiol
40580,Please replace a hydroxyl in the molecule C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO with halo.,C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO,hydroxyl,halo
98271,Substitute a hydroxyl in the molecule C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1 with carboxyl.,C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1,hydroxyl,carboxyl
52785,Please replace a halo in the molecule C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 with hydroxyl.,C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1,halo,hydroxyl
136233,Substitute a halo in the molecule CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl with aldehyde.,CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl,halo,aldehyde
34556,Modify the molecule COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(O)CCCC3)C2)cc1 by substituting a hydroxyl with aldehyde.,COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(O)CCCC3)C2)cc1,hydroxyl,aldehyde
117838,Please replace a hydroxyl in the molecule O[C@H](c1ccc(Cl)cc1)c1ccccc1Cl with aldehyde.,O[C@H](c1ccc(Cl)cc1)c1ccccc1Cl,hydroxyl,aldehyde
63969,Substitute a halo in the molecule CN(CCC(F)(F)F)c1nc(C2CC2)ns1 with nitro.,CN(CCC(F)(F)F)c1nc(C2CC2)ns1,halo,nitro
227101,Modify the molecule Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C by substituting a halo with nitro.,Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C,halo,nitro
75714,Please replace a halo in the molecule CCc1nn(C)c(Cl)c1CNc1cccc(CC[NH+]2CCCC2)c1 with nitrile.,CCc1nn(C)c(Cl)c1CNc1cccc(CC[NH+]2CCCC2)c1,halo,nitrile
23307,Please replace a nitrile in the molecule Cc1ncc(C(=O)[O-])cc1C#N with thiol.,Cc1ncc(C(=O)[O-])cc1C#N,nitrile,thiol
105140,Modify the molecule N#Cc1cc2c(nc1SCC(=O)Nc1nonc1-n1cccc1)CCCC2 by replacing a nitrile by carboxyl.,N#Cc1cc2c(nc1SCC(=O)Nc1nonc1-n1cccc1)CCCC2,nitrile,carboxyl
151363,Please replace a nitro in the molecule Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 with nitrile.,Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1,nitro,nitrile
184050,Please replace a halo in the molecule CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C with carboxyl.,CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C,halo,carboxyl
192752,Replace a hydroxyl in the molecule Cn1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1=O by thiol.,Cn1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1=O,hydroxyl,thiol
22220,Replace a halo in the molecule CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br by carboxyl.,CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br,halo,carboxyl
95582,Please substitute a halo in the molecule Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 by nitrile.,Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,halo,nitrile
23667,Modify the molecule COc1ccc(Cl)c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 by replacing a halo by aldehyde.,COc1ccc(Cl)c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1,halo,aldehyde
36859,Modify the molecule CSCc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1 by replacing a nitro by thiol.,CSCc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1,nitro,thiol
237552,Please replace a nitrile in the molecule C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccs1 with hydroxyl.,C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccs1,nitrile,hydroxyl
179572,Modify the molecule C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 by substituting a halo with carboxyl.,C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1,halo,carboxyl
240149,Please substitute a halo in the molecule Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCSCC2)CC1=O by nitro.,Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCSCC2)CC1=O,halo,nitro
149466,Please replace a halo in the molecule COc1cc(F)cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1 with nitro.,COc1cc(F)cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1,halo,nitro
79629,Please replace a halo in the molecule O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 with nitrile.,O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1,halo,nitrile
228161,Replace a halo in the molecule C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1 by hydroxyl.,C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1,halo,hydroxyl
205445,Please replace a hydroxyl in the molecule Cc1ccc(C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 with halo.,Cc1ccc(C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1,hydroxyl,halo
95747,Modify the molecule C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)[S@](C)=O by replacing a halo by nitro.,C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)[S@](C)=O,halo,nitro
23662,Please replace a hydroxyl in the molecule CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1 with halo.,CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1,hydroxyl,halo
52476,Replace a nitro in the molecule Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl by halo.,Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl,nitro,halo
84624,Modify the molecule CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 by replacing a halo by thiol.,CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1,halo,thiol
70029,Modify the molecule C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1C(F)(F)F by substituting a halo with aldehyde.,C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1C(F)(F)F,halo,aldehyde
188195,Modify the molecule COC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)c(F)c1 by substituting a halo with nitro.,COC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)c(F)c1,halo,nitro
216970,Substitute a halo in the molecule Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)ccc1F with hydroxyl.,Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)ccc1F,halo,hydroxyl
169743,Please replace a nitrile in the molecule CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C#N)cc1 with aldehyde.,CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C#N)cc1,nitrile,aldehyde
186106,Replace a halo in the molecule COc1cc(Br)c(CC(=O)N2CCNC(=O)C2)cc1OC by hydroxyl.,COc1cc(Br)c(CC(=O)N2CCNC(=O)C2)cc1OC,halo,hydroxyl
166520,Modify the molecule NC(=S)c1[nH+]ccn1CC(=O)Nc1ccc(Br)cc1 by replacing a halo by carboxyl.,NC(=S)c1[nH+]ccn1CC(=O)Nc1ccc(Br)cc1,halo,carboxyl
135584,Replace a halo in the molecule Brc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)s1 by carboxyl.,Brc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)s1,halo,carboxyl
233696,Please replace a halo in the molecule Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c(C)o1 with carboxyl.,Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c(C)o1,halo,carboxyl
189705,Please replace a halo in the molecule O=C(Cc1ccc(Cl)cc1)c1cccc(I)c1 with hydroxyl.,O=C(Cc1ccc(Cl)cc1)c1cccc(I)c1,halo,hydroxyl
65896,Modify the molecule CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 by substituting a halo with thiol.,CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12,halo,thiol
32355,Modify the molecule CC[C@H]([NH3+])[C@@H](N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F by replacing a halo by carboxyl.,CC[C@H]([NH3+])[C@@H](N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F,halo,carboxyl
127916,Please substitute a hydroxyl in the molecule [NH3+][C@H](CC1=c2cccc(O)c2=[NH+]C1)C(=O)[O-] by thiol.,[NH3+][C@H](CC1=c2cccc(O)c2=[NH+]C1)C(=O)[O-],hydroxyl,thiol
41743,Modify the molecule C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 by replacing a halo by aldehyde.,C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1,halo,aldehyde
18672,Modify the molecule O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC1 by replacing a halo by nitrile.,O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC1,halo,nitrile
175889,Please replace a halo in the molecule C=CC[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1 with aldehyde.,C=CC[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1,halo,aldehyde
38109,Modify the molecule C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1 by replacing a halo by nitrile.,C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1,halo,nitrile
71131,Replace a halo in the molecule Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 by thiol.,Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1,halo,thiol
68551,Modify the molecule C[C@@H](CO)NCc1c[nH+]cn1C1CC1 by substituting a hydroxyl with carboxyl.,C[C@@H](CO)NCc1c[nH+]cn1C1CC1,hydroxyl,carboxyl
200944,Replace a halo in the molecule Cc1nc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)sc1Br by aldehyde.,Cc1nc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)sc1Br,halo,aldehyde
27993,Please substitute a hydroxyl in the molecule O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1 by nitrile.,O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1,hydroxyl,nitrile
46081,Substitute a hydroxyl in the molecule COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)cc(C)c2O)cc1 with nitrile.,COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)cc(C)c2O)cc1,hydroxyl,nitrile
196284,Substitute a nitro in the molecule Cc1cc([N+](=O)[O-])ccc1NC(=O)NCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O with halo.,Cc1cc([N+](=O)[O-])ccc1NC(=O)NCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O,nitro,halo
216128,Modify the molecule O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 by substituting a halo with hydroxyl.,O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1,halo,hydroxyl
67809,Substitute a halo in the molecule COc1cccc(OCCNC(=O)Nc2ccc(OC)cc2Cl)c1 with hydroxyl.,COc1cccc(OCCNC(=O)Nc2ccc(OC)cc2Cl)c1,halo,hydroxyl
13016,Modify the molecule C/C(=C1/SC(N2CCCC2)=NC1=O)c1ccc(Cl)cc1 by substituting a halo with thiol.,C/C(=C1/SC(N2CCCC2)=NC1=O)c1ccc(Cl)cc1,halo,thiol
78767,Please substitute a halo in the molecule C[C@H](CCCCl)[NH2+]C[C@H]1CCCc2ccccc21 by nitrile.,C[C@H](CCCCl)[NH2+]C[C@H]1CCCc2ccccc21,halo,nitrile
230207,Please replace a nitrile in the molecule CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 with halo.,CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1,nitrile,halo
105595,Modify the molecule COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 by substituting a halo with hydroxyl.,COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1,halo,hydroxyl
102622,Please replace a halo in the molecule COc1ccc(C[C@H](Cl)c2ccccc2)cc1 with hydroxyl.,COc1ccc(C[C@H](Cl)c2ccccc2)cc1,halo,hydroxyl
194855,Please replace a halo in the molecule O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(Cl)c1 with hydroxyl.,O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(Cl)c1,halo,hydroxyl
117198,Please replace a halo in the molecule CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1 with thiol.,CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1,halo,thiol
224405,Modify the molecule COc1ccc2c(C)cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 by replacing a halo by nitro.,COc1ccc2c(C)cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1,halo,nitro
175052,Modify the molecule COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl by substituting a halo with nitrile.,COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl,halo,nitrile
206765,Please replace a halo in the molecule CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCCCCCC2)CC1 with nitro.,CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCCCCCC2)CC1,halo,nitro
159207,Modify the molecule CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(Cl)s1 by replacing a halo by carboxyl.,CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(Cl)s1,halo,carboxyl
201170,Please replace a nitrile in the molecule N#Cc1c(-c2ccccc2)cc2nc3ccccc3n2c1N with carboxyl.,N#Cc1c(-c2ccccc2)cc2nc3ccccc3n2c1N,nitrile,carboxyl
107569,Modify the molecule C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O by substituting a hydroxyl with halo.,C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O,hydroxyl,halo
231356,Please substitute a nitro in the molecule Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 by carboxyl.,Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1,nitro,carboxyl
19676,Modify the molecule CC[C@@H](CO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C by replacing a halo by carboxyl.,CC[C@@H](CO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C,halo,carboxyl
236405,Replace a halo in the molecule C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1 by aldehyde.,C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1,halo,aldehyde
179969,Replace a hydroxyl in the molecule CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 by nitro.,CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1,hydroxyl,nitro
129574,Please substitute a nitrile in the molecule N#Cc1ccc(C[NH+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)o1 by halo.,N#Cc1ccc(C[NH+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)o1,nitrile,halo
69294,Modify the molecule CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 by replacing a halo by hydroxyl.,CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1,halo,hydroxyl
222859,Modify the molecule C[C@@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-] by substituting a halo with nitro.,C[C@@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-],halo,nitro
87590,Please replace a halo in the molecule CCc1nc(-c2ccc(F)cn2)nc(NC)c1I with thiol.,CCc1nc(-c2ccc(F)cn2)nc(NC)c1I,halo,thiol
58080,Please substitute a halo in the molecule CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S by nitro.,CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S,halo,nitro
836,Modify the molecule CCCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N by replacing a halo by carboxyl.,CCCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N,halo,carboxyl
173464,Modify the molecule O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1 by replacing a halo by thiol.,O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1,halo,thiol
191863,Modify the molecule C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 by substituting a halo with thiol.,C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1,halo,thiol
183473,Modify the molecule CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(F)c1 by substituting a halo with nitro.,CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(F)c1,halo,nitro
165267,Substitute a halo in the molecule COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C with nitro.,COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C,halo,nitro
219203,Substitute a halo in the molecule COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC with carboxyl.,COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC,halo,carboxyl
217588,Replace a halo in the molecule CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1 by carboxyl.,CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1,halo,carboxyl
172259,Please substitute a halo in the molecule CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1 by aldehyde.,CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1,halo,aldehyde
239875,Please substitute a nitro in the molecule Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] by carboxyl.,Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-],nitro,carboxyl
150343,Modify the molecule C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1 by replacing a halo by aldehyde.,C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1,halo,aldehyde
192532,Substitute a halo in the molecule CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 with carboxyl.,CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1,halo,carboxyl
76221,Modify the molecule N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1 by replacing a nitrile by hydroxyl.,N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1,nitrile,hydroxyl
243092,Replace a halo in the molecule Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 by aldehyde.,Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1,halo,aldehyde
114979,Please substitute a halo in the molecule O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NC2CCCCC2)C1 by carboxyl.,O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NC2CCCCC2)C1,halo,carboxyl
117224,Please substitute a nitrile in the molecule C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 by carboxyl.,C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1,nitrile,carboxyl
83986,Replace a halo in the molecule Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1 by nitrile.,Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1,halo,nitrile
239549,Please replace a hydroxyl in the molecule Cc1cc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)oc2cc1C with thiol.,Cc1cc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)oc2cc1C,hydroxyl,thiol
92133,Modify the molecule CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C by substituting a halo with hydroxyl.,CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C,halo,hydroxyl
200878,Please replace a nitro in the molecule O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO with halo.,O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO,nitro,halo
20712,Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C by replacing a nitrile by carboxyl.,Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C,nitrile,carboxyl
132036,Please replace a halo in the molecule CC(C)OCC[C@@H]1CCCC[NH+]1Cc1cnc(Cl)s1 with carboxyl.,CC(C)OCC[C@@H]1CCCC[NH+]1Cc1cnc(Cl)s1,halo,carboxyl
12260,Please replace a halo in the molecule COC(=O)C1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 with hydroxyl.,COC(=O)C1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1,halo,hydroxyl
169638,Modify the molecule COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 by substituting a halo with hydroxyl.,COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1,halo,hydroxyl
157565,Modify the molecule COC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(OC)c1 by replacing a halo by aldehyde.,COC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(OC)c1,halo,aldehyde
246251,Modify the molecule CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1 by replacing a halo by hydroxyl.,CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1,halo,hydroxyl
111156,Please replace a hydroxyl in the molecule CCNc1scc(C)[n+]1/N=C/c1cc(Br)c(O)c(Br)c1 with nitrile.,CCNc1scc(C)[n+]1/N=C/c1cc(Br)c(O)c(Br)c1,hydroxyl,nitrile
204502,Please replace a halo in the molecule CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(F)cn1 with nitrile.,CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(F)cn1,halo,nitrile
113298,Replace a halo in the molecule CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 by nitro.,CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1,halo,nitro
243372,Modify the molecule Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 by substituting a halo with carboxyl.,Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,halo,carboxyl
8878,Substitute a halo in the molecule C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1 with nitrile.,C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1,halo,nitrile
14647,Substitute a halo in the molecule O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1 with aldehyde.,O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1,halo,aldehyde
241441,Substitute a halo in the molecule CC(C)[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1 with carboxyl.,CC(C)[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1,halo,carboxyl
50922,Modify the molecule COc1ccc2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)ccc2c1 by replacing a halo by aldehyde.,COc1ccc2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)ccc2c1,halo,aldehyde
62924,Please substitute a hydroxyl in the molecule Cc1ccccc1/C([O-])=N/c1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1 by nitrile.,Cc1ccccc1/C([O-])=N/c1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1,hydroxyl,nitrile
229221,Please replace a halo in the molecule CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC with hydroxyl.,CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC,halo,hydroxyl
159482,Modify the molecule O=C1CN(/N=C\c2ncc(-c3ccc(Br)cc3)o2)C(=O)N1 by substituting a halo with thiol.,O=C1CN(/N=C\c2ncc(-c3ccc(Br)cc3)o2)C(=O)N1,halo,thiol
59704,Please substitute a halo in the molecule Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@H](C(N)=O)C3)n2)cc1F by carboxyl.,Cc1ccc(-c2noc([C@H](C)[NH+]3CC[C@H](C(N)=O)C3)n2)cc1F,halo,carboxyl
42253,Substitute a halo in the molecule COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1 with carboxyl.,COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1,halo,carboxyl
1916,Please replace a halo in the molecule O=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2 with thiol.,O=S(=O)(Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2,halo,thiol
38758,Modify the molecule Cc1cc(Br)ccc1N[C@H]1CCOC2(CCC2)C1 by replacing a halo by thiol.,Cc1cc(Br)ccc1N[C@H]1CCOC2(CCC2)C1,halo,thiol
123135,Modify the molecule CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 by substituting a nitrile with thiol.,CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12,nitrile,thiol
175336,Please substitute a halo in the molecule C[C@H](CNC(=O)N[C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1 by nitro.,C[C@H](CNC(=O)N[C@H](C)c1ccc(F)c(F)c1)C[NH+]1CCCC1,halo,nitro
219451,Modify the molecule FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12 by replacing a halo by thiol.,FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12,halo,thiol
109030,Please substitute a halo in the molecule CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 by aldehyde.,CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1,halo,aldehyde
166755,Replace a halo in the molecule Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1 by aldehyde.,Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1,halo,aldehyde
59171,Please substitute a halo in the molecule O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O by nitro.,O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O,halo,nitro
216566,Replace a halo in the molecule C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1N by thiol.,C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1N,halo,thiol
114307,Modify the molecule COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C by substituting a nitrile with carboxyl.,COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C,nitrile,carboxyl
109424,Please substitute a halo in the molecule CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1 by nitro.,CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1,halo,nitro
213805,Substitute a halo in the molecule C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F with nitro.,C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F,halo,nitro
213350,Replace a halo in the molecule NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 by nitrile.,NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1,halo,nitrile
26801,Modify the molecule COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O by replacing a hydroxyl by aldehyde.,COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O,hydroxyl,aldehyde
8604,Replace a hydroxyl in the molecule CO[C@@H](C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1 by thiol.,CO[C@@H](C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1,hydroxyl,thiol
67937,Please replace a halo in the molecule C[C@H]1CCC[NH+]1CC(=O)Nc1cccc(OC(F)F)c1 with aldehyde.,C[C@H]1CCC[NH+]1CC(=O)Nc1cccc(OC(F)F)c1,halo,aldehyde
77914,Modify the molecule C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F by replacing a halo by carboxyl.,C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F,halo,carboxyl
93137,Please replace a hydroxyl in the molecule Cc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1 with thiol.,Cc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1,hydroxyl,thiol
197408,Replace a halo in the molecule O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@@H]1c1ccc[nH]1 by nitro.,O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@@H]1c1ccc[nH]1,halo,nitro
107017,Replace a halo in the molecule Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1 by carboxyl.,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1,halo,carboxyl
50287,Replace a hydroxyl in the molecule Cc1ccn(-c2ccc(NCCc3cccc(O)c3)nn2)n1 by carboxyl.,Cc1ccn(-c2ccc(NCCc3cccc(O)c3)nn2)n1,hydroxyl,carboxyl
59679,Please replace a nitro in the molecule O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 with thiol.,O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12,nitro,thiol
30656,Please replace a halo in the molecule C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O with thiol.,C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O,halo,thiol
220301,Please substitute a hydroxyl in the molecule C[C@H]1CCC[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 by halo.,C[C@H]1CCC[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1,hydroxyl,halo
109781,Replace a halo in the molecule Cc1c(-c2nc3ccc(Br)cc3c(=O)[nH]2)oc2ccccc12 by carboxyl.,Cc1c(-c2nc3ccc(Br)cc3c(=O)[nH]2)oc2ccccc12,halo,carboxyl
23817,Modify the molecule C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)cc1 by substituting a halo with nitro.,C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)cc1,halo,nitro
144482,Modify the molecule C=CCCCOc1nc(Cl)nc(OCC)n1 by substituting a halo with thiol.,C=CCCCOc1nc(Cl)nc(OCC)n1,halo,thiol
188089,Please substitute a halo in the molecule C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 by nitro.,C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1,halo,nitro
137718,Replace a halo in the molecule ClCCc1nc2cc(Br)cnc2n1CC1CCCCC1 by nitrile.,ClCCc1nc2cc(Br)cnc2n1CC1CCCCC1,halo,nitrile
149650,Please replace a halo in the molecule Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1 with thiol.,Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1,halo,thiol
14628,Replace a halo in the molecule Clc1ccc2[nH]c3c(N4CC[NH+](Cc5ccccc5)CC4)ncnc3c2c1 by aldehyde.,Clc1ccc2[nH]c3c(N4CC[NH+](Cc5ccccc5)CC4)ncnc3c2c1,halo,aldehyde
43673,Please replace a halo in the molecule COc1ccc2[nH]cc(CC(=O)NCc3ccc(F)c(Cl)c3)c2c1 with carboxyl.,COc1ccc2[nH]cc(CC(=O)NCc3ccc(F)c(Cl)c3)c2c1,halo,carboxyl
139452,Please substitute a halo in the molecule CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc[nH+]c1C by hydroxyl.,CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc[nH+]c1C,halo,hydroxyl
172278,Modify the molecule CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 by replacing a halo by thiol.,CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1,halo,thiol
223349,Please substitute a halo in the molecule CCC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 by nitrile.,CCC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1,halo,nitrile
8117,Modify the molecule COc1cc(Br)c([C@H](O)c2cc(C)cc(F)c2)cc1OC by replacing a halo by hydroxyl.,COc1cc(Br)c([C@H](O)c2cc(C)cc(F)c2)cc1OC,halo,hydroxyl
214408,Please substitute a halo in the molecule CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl by nitro.,CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl,halo,nitro
233676,Substitute a halo in the molecule CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC(=O)O1 with nitro.,CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC(=O)O1,halo,nitro
127713,Substitute a nitrile in the molecule COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1 with halo.,COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1,nitrile,halo
115572,Please replace a halo in the molecule C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1 with nitro.,C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1,halo,nitro
119835,Please replace a nitrile in the molecule N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1 with aldehyde.,N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1,nitrile,aldehyde
2177,Modify the molecule CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)cn1 by replacing a halo by nitro.,CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)cn1,halo,nitro
78097,Replace a hydroxyl in the molecule C[C@@H](CCn1cncn1)[NH2+]C[C@H](O)c1ccccc1Cl by aldehyde.,C[C@@H](CCn1cncn1)[NH2+]C[C@H](O)c1ccccc1Cl,hydroxyl,aldehyde
67500,Modify the molecule COc1ccc(F)c(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 by substituting a halo with carboxyl.,COc1ccc(F)c(NC(=O)NCCC[NH+]2CCC(C)CC2)c1,halo,carboxyl
60,Replace a halo in the molecule CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1 by hydroxyl.,CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1,halo,hydroxyl
118526,Modify the molecule Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1 by substituting a halo with nitrile.,Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1,halo,nitrile
215298,Please replace a nitrile in the molecule N#Cc1ccc2nc(N3CC[C@H](c4ccccc4)C3)ccc2c1 with aldehyde.,N#Cc1ccc2nc(N3CC[C@H](c4ccccc4)C3)ccc2c1,nitrile,aldehyde
158968,Replace a hydroxyl in the molecule O=C(c1cc2c(cc1O)OCO2)N1CCC[C@@H]1c1ccco1 by nitro.,O=C(c1cc2c(cc1O)OCO2)N1CCC[C@@H]1c1ccco1,hydroxyl,nitro
64049,Replace a hydroxyl in the molecule C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CCCc2ccccc21 by halo.,C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CCCc2ccccc21,hydroxyl,halo
19340,Modify the molecule Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C by replacing a nitro by thiol.,Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C,nitro,thiol
211820,Please replace a hydroxyl in the molecule CNS(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)nc1 with carboxyl.,CNS(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)nc1,hydroxyl,carboxyl
123920,Substitute a nitro in the molecule C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21 with carboxyl.,C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21,nitro,carboxyl
120559,Please replace a halo in the molecule Cc1cc(C(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 with thiol.,Cc1cc(C(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1,halo,thiol
77269,Substitute a halo in the molecule [NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)c(Cl)c1 with thiol.,[NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)c(Cl)c1,halo,thiol
8946,Please substitute a nitro in the molecule O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 by halo.,O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1,nitro,halo
33644,Modify the molecule O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 by substituting a halo with nitrile.,O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1,halo,nitrile
221116,Please replace a halo in the molecule CN(Cc1ccccc1Br)C(=O)CN1CSCC1=O with hydroxyl.,CN(Cc1ccccc1Br)C(=O)CN1CSCC1=O,halo,hydroxyl
152192,Please replace a halo in the molecule Fc1ccccc1CSC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1 with nitrile.,Fc1ccccc1CSC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1,halo,nitrile
117654,Modify the molecule CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 by replacing a halo by thiol.,CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12,halo,thiol
231860,Modify the molecule Cc1cc([C@@H](C)Nc2snc(C)c2C#N)c(C)s1 by replacing a nitrile by thiol.,Cc1cc([C@@H](C)Nc2snc(C)c2C#N)c(C)s1,nitrile,thiol
141238,Replace a hydroxyl in the molecule CSC[C@@H](CCO)[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1 by halo.,CSC[C@@H](CCO)[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1,hydroxyl,halo
102004,Substitute a halo in the molecule C[NH2+][C@H](c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 with nitrile.,C[NH2+][C@H](c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1,halo,nitrile
51617,Please substitute a thiol in the molecule C[NH+](Cc1cccc(C#N)c1)CC1(CS)CCC1 by nitrile.,C[NH+](Cc1cccc(C#N)c1)CC1(CS)CCC1,thiol,nitrile
45291,Modify the molecule COc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1Cl by substituting a halo with thiol.,COc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1Cl,halo,thiol
135730,Substitute a aldehyde in the molecule Cc1cc(O)c(CC=O)c(O)c1 with nitro.,Cc1cc(O)c(CC=O)c(O)c1,aldehyde,nitro
65800,Please substitute a halo in the molecule COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 by nitrile.,COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1,halo,nitrile
208718,Substitute a halo in the molecule CCC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)CCO1 with aldehyde.,CCC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)CCO1,halo,aldehyde
173597,Substitute a halo in the molecule COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 with aldehyde.,COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1,halo,aldehyde
224387,Please substitute a halo in the molecule CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC by nitro.,CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC,halo,nitro
43784,Modify the molecule COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl by replacing a halo by nitro.,COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl,halo,nitro
146350,Please substitute a hydroxyl in the molecule OCc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 by aldehyde.,OCc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1,hydroxyl,aldehyde
81165,Replace a nitrile in the molecule COc1ccc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 by hydroxyl.,COc1ccc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1,nitrile,hydroxyl
46393,Please replace a halo in the molecule Cc1ccc(N(C)C(=O)C2=CCCCO2)cc1Cl with carboxyl.,Cc1ccc(N(C)C(=O)C2=CCCCO2)cc1Cl,halo,carboxyl
201866,Modify the molecule O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)Oc2ccccc21 by substituting a hydroxyl with carboxyl.,O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)Oc2ccccc21,hydroxyl,carboxyl
133285,Substitute a halo in the molecule CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 with nitrile.,CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1,halo,nitrile
230734,Modify the molecule CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 by replacing a halo by aldehyde.,CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1,halo,aldehyde
38734,Please replace a halo in the molecule Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1 with nitrile.,Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1,halo,nitrile
39016,Modify the molecule O=C(Nc1nc(CC(=O)N2CCCC2)cs1)c1ccc(Cl)cc1 by substituting a halo with nitro.,O=C(Nc1nc(CC(=O)N2CCCC2)cs1)c1ccc(Cl)cc1,halo,nitro
161740,Please replace a hydroxyl in the molecule C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCc2ccccc21 with carboxyl.,C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCc2ccccc21,hydroxyl,carboxyl
25315,Replace a halo in the molecule Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C by nitro.,Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C,halo,nitro
9545,Replace a halo in the molecule O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 by nitro.,O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1,halo,nitro
9895,Please replace a halo in the molecule CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 with hydroxyl.,CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1,halo,hydroxyl
166420,Replace a nitrile in the molecule Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1 by halo.,Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1,nitrile,halo
62910,Replace a halo in the molecule CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F by thiol.,CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F,halo,thiol
198785,Modify the molecule CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1N by replacing a halo by carboxyl.,CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1N,halo,carboxyl
221402,Please substitute a halo in the molecule CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1 by nitro.,CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1,halo,nitro
222805,Modify the molecule C[NH+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 by substituting a nitro with halo.,C[NH+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1,nitro,halo
94905,Replace a nitrile in the molecule COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N by halo.,COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N,nitrile,halo
52105,Substitute a halo in the molecule CC[C@H](C)C[NH2+]CCC(=O)Nc1cccc(Cl)c1C with hydroxyl.,CC[C@H](C)C[NH2+]CCC(=O)Nc1cccc(Cl)c1C,halo,hydroxyl
247199,Please substitute a hydroxyl in the molecule Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1 by nitro.,Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1,hydroxyl,nitro
232970,Substitute a halo in the molecule CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F with nitrile.,CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F,halo,nitrile
233344,Modify the molecule CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21 by replacing a halo by carboxyl.,CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21,halo,carboxyl
49252,Substitute a halo in the molecule O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1 with aldehyde.,O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1,halo,aldehyde
186293,Replace a halo in the molecule CCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 by nitrile.,CCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1,halo,nitrile
246170,Please substitute a halo in the molecule Cc1ccc(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c(F)c1 by thiol.,Cc1ccc(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c(F)c1,halo,thiol
73729,Please replace a hydroxyl in the molecule O=C([O-])[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21 with nitro.,O=C([O-])[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21,hydroxyl,nitro
68733,Replace a halo in the molecule Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C by nitrile.,Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C,halo,nitrile
157202,Replace a hydroxyl in the molecule C[C@@]1(CO)CCC[C@H]1NC(=O)NCc1ccc2c(c1)OCO2 by aldehyde.,C[C@@]1(CO)CCC[C@H]1NC(=O)NCc1ccc2c(c1)OCO2,hydroxyl,aldehyde
111001,Please replace a halo in the molecule O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2)Nc2ccccc21 with thiol.,O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2)Nc2ccccc21,halo,thiol
246402,Modify the molecule C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 by replacing a nitro by aldehyde.,C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1,nitro,aldehyde
78895,Modify the molecule Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cccc(Cl)c21 by substituting a halo with nitrile.,Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cccc(Cl)c21,halo,nitrile
40150,Replace a halo in the molecule O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1 by aldehyde.,O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1,halo,aldehyde
159396,Substitute a nitrile in the molecule C[C@@H](C#N)CC(=O)c1cccnc1 with carboxyl.,C[C@@H](C#N)CC(=O)c1cccnc1,nitrile,carboxyl
123703,Please replace a halo in the molecule COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 with hydroxyl.,COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1,halo,hydroxyl
241856,Modify the molecule O=Cc1cn2c(nc3ccccc32)s1 by replacing a aldehyde by carboxyl.,O=Cc1cn2c(nc3ccccc32)s1,aldehyde,carboxyl
189924,Replace a halo in the molecule Cc1nn(CN2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] by nitrile.,Cc1nn(CN2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-],halo,nitrile
71187,Please substitute a halo in the molecule CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12 by nitro.,CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12,halo,nitro
77481,Please substitute a halo in the molecule Cc1csc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)n1 by nitrile.,Cc1csc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)n1,halo,nitrile
209533,Substitute a nitro in the molecule C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1 with carboxyl.,C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1,nitro,carboxyl
173342,Please replace a nitrile in the molecule Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N with halo.,Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N,nitrile,halo
123629,Substitute a halo in the molecule CCOC(=O)NC(C)(C)c1ccc(Br)cc1 with hydroxyl.,CCOC(=O)NC(C)(C)c1ccc(Br)cc1,halo,hydroxyl
242096,Please substitute a nitro in the molecule Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n(C)c(=O)c2c1C by halo.,Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n(C)c(=O)c2c1C,nitro,halo
2978,Modify the molecule CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 by replacing a halo by nitrile.,CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1,halo,nitrile
40301,Please replace a halo in the molecule CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1 with thiol.,CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1,halo,thiol
37756,Please replace a halo in the molecule CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 with thiol.,CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1,halo,thiol
199534,Please substitute a hydroxyl in the molecule CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1 by carboxyl.,CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1,hydroxyl,carboxyl
36171,Please replace a hydroxyl in the molecule O[C@H](c1cc(F)cc(F)c1)C1([NH+]2CCCCC2)CCCC1 with nitro.,O[C@H](c1cc(F)cc(F)c1)C1([NH+]2CCCCC2)CCCC1,hydroxyl,nitro
16569,Modify the molecule Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C by replacing a halo by hydroxyl.,Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C,halo,hydroxyl
239319,Please replace a hydroxyl in the molecule O=C(c1ccc2cccc(F)c2n1)N1CCC[C@@H]1CO with halo.,O=C(c1ccc2cccc(F)c2n1)N1CCC[C@@H]1CO,hydroxyl,halo
81581,Substitute a nitrile in the molecule CS(=O)(=O)[N-]c1ccc(CNc2ccc(C#N)cn2)cc1 with thiol.,CS(=O)(=O)[N-]c1ccc(CNc2ccc(C#N)cn2)cc1,nitrile,thiol
213606,Substitute a halo in the molecule CC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccc(OC)c(Cl)c1 with nitrile.,CC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccc(OC)c(Cl)c1,halo,nitrile
5106,Substitute a nitro in the molecule COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O with halo.,COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O,nitro,halo
181157,Modify the molecule Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 by substituting a halo with nitro.,Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1,halo,nitro
232938,Please substitute a halo in the molecule CC/[NH+]=C(/NCCSc1ccccc1F)N1CCC(O)CC1 by carboxyl.,CC/[NH+]=C(/NCCSc1ccccc1F)N1CCC(O)CC1,halo,carboxyl
238686,Please replace a halo in the molecule O=C1C(Br)=C(Br)C(=O)c2cc(Cl)ccc21 with aldehyde.,O=C1C(Br)=C(Br)C(=O)c2cc(Cl)ccc21,halo,aldehyde
32026,Replace a hydroxyl in the molecule O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O by carboxyl.,O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O,hydroxyl,carboxyl
68747,Replace a halo in the molecule CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 by thiol.,CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1,halo,thiol
10220,Please replace a nitrile in the molecule COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O with hydroxyl.,COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O,nitrile,hydroxyl
112253,Please substitute a halo in the molecule CCC[C@H](C)N(C)c1cc(C)c(F)cc1[C@H](C)[NH3+] by aldehyde.,CCC[C@H](C)N(C)c1cc(C)c(F)cc1[C@H](C)[NH3+],halo,aldehyde
237441,Substitute a halo in the molecule CCCc1ccc(C(=O)NNc2c(Cl)cncc2Cl)cc1 with hydroxyl.,CCCc1ccc(C(=O)NNc2c(Cl)cncc2Cl)cc1,halo,hydroxyl
155539,Substitute a halo in the molecule C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccncc1 with thiol.,C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccncc1,halo,thiol
4986,Replace a hydroxyl in the molecule C[C@](O)(CNC(=O)COc1ccccc1Cl)c1ccc(F)cc1 by aldehyde.,C[C@](O)(CNC(=O)COc1ccccc1Cl)c1ccc(F)cc1,hydroxyl,aldehyde
224202,Modify the molecule Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 by substituting a halo with aldehyde.,Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1,halo,aldehyde
138687,Modify the molecule Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1 by substituting a halo with hydroxyl.,Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1,halo,hydroxyl
182952,Modify the molecule COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 by replacing a halo by nitrile.,COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1,halo,nitrile
45487,Modify the molecule CCn1nccc1[C@H]([NH3+])CSc1ccccc1Cl by replacing a halo by carboxyl.,CCn1nccc1[C@H]([NH3+])CSc1ccccc1Cl,halo,carboxyl
50749,Modify the molecule O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 by replacing a halo by carboxyl.,O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1,halo,carboxyl
226581,Replace a hydroxyl in the molecule Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 by nitrile.,Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1,hydroxyl,nitrile
214480,Substitute a nitrile in the molecule N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1 with hydroxyl.,N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1,nitrile,hydroxyl
159171,Please substitute a halo in the molecule CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 by aldehyde.,CC(=O)N[C@H](C#N)c1ccc(Cl)cc1,halo,aldehyde
205523,Modify the molecule C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 by substituting a nitro with aldehyde.,C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,nitro,aldehyde
217727,Modify the molecule CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(-c2ccccc2Br)o1 by replacing a halo by hydroxyl.,CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(-c2ccccc2Br)o1,halo,hydroxyl
136213,Modify the molecule N#C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(Cl)c1Cl by replacing a nitrile by hydroxyl.,N#C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(Cl)c1Cl,nitrile,hydroxyl
48869,Please substitute a halo in the molecule CN(C(=O)c1ccc(F)c(F)c1F)c1ccncc1N by nitrile.,CN(C(=O)c1ccc(F)c(F)c1F)c1ccncc1N,halo,nitrile
191265,Please replace a nitrile in the molecule CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C with nitro.,CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C,nitrile,nitro
173109,Modify the molecule CC[NH+](Cc1ccccc1)C[C@@H](C)CS by substituting a thiol with halo.,CC[NH+](Cc1ccccc1)C[C@@H](C)CS,thiol,halo
217086,Modify the molecule O=Cc1cccc(OCc2cccc3ccccc23)c1 by substituting a aldehyde with halo.,O=Cc1cccc(OCc2cccc3ccccc23)c1,aldehyde,halo
56353,Please substitute a nitrile in the molecule CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1 by halo.,CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1,nitrile,halo
33821,Substitute a hydroxyl in the molecule O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 with halo.,O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1,hydroxyl,halo
14812,Please replace a halo in the molecule Cc1ccc(NC(=O)C(=O)NCCCN(C)c2ccccc2F)cc1 with hydroxyl.,Cc1ccc(NC(=O)C(=O)NCCCN(C)c2ccccc2F)cc1,halo,hydroxyl
19958,Substitute a halo in the molecule COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 with nitro.,COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1,halo,nitro
29608,Substitute a halo in the molecule Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21 with nitro.,Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21,halo,nitro
204143,Please substitute a nitrile in the molecule COc1ccc([C@H]2CCCN2C[C@H](C#N)CCC#N)c(OC)c1 by hydroxyl.,COc1ccc([C@H]2CCCN2C[C@H](C#N)CCC#N)c(OC)c1,nitrile,hydroxyl
4641,Modify the molecule CN(CC1CC[NH+](C)CC1)[C@@H](C[NH3+])c1cc(Cl)cs1 by replacing a halo by nitrile.,CN(CC1CC[NH+](C)CC1)[C@@H](C[NH3+])c1cc(Cl)cs1,halo,nitrile
118807,Replace a nitrile in the molecule COc1ccc(/C([O-])=C(\C#N)C(=O)Nc2ccccc2OC)c(C)c1 by aldehyde.,COc1ccc(/C([O-])=C(\C#N)C(=O)Nc2ccccc2OC)c(C)c1,nitrile,aldehyde
66752,Modify the molecule C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 by substituting a halo with nitro.,C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1,halo,nitro
106892,Modify the molecule O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(-c2ccccc2)on1 by substituting a halo with nitro.,O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(-c2ccccc2)on1,halo,nitro
167153,Substitute a halo in the molecule COc1ccc([C@H]2C(N)=NC(=O)N2CC(C)C)cc1Br with hydroxyl.,COc1ccc([C@H]2C(N)=NC(=O)N2CC(C)C)cc1Br,halo,hydroxyl
247921,Substitute a halo in the molecule C[NH+](C)CCn1ccc(NC(=O)Cc2c(F)cccc2F)n1 with thiol.,C[NH+](C)CCn1ccc(NC(=O)Cc2c(F)cccc2F)n1,halo,thiol
168102,Please replace a halo in the molecule CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] with nitro.,CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-],halo,nitro
26736,Replace a halo in the molecule CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccc(Cl)cc1 by nitro.,CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccc(Cl)cc1,halo,nitro
132279,Please replace a halo in the molecule Clc1cccc(CNCCc2c[nH]c3ccccc23)c1Cl with nitro.,Clc1cccc(CNCCc2c[nH]c3ccccc23)c1Cl,halo,nitro
238221,Please replace a halo in the molecule CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 with carboxyl.,CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(Cl)cc2)CCCC1,halo,carboxyl
16766,Replace a halo in the molecule Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O by thiol.,Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O,halo,thiol
57031,Substitute a nitro in the molecule C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1 with aldehyde.,C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1,nitro,aldehyde
141391,Please substitute a halo in the molecule O=c1[nH]nc(CCNc2ccc3cc(Br)ccc3n2)[nH]1 by hydroxyl.,O=c1[nH]nc(CCNc2ccc3cc(Br)ccc3n2)[nH]1,halo,hydroxyl
183244,Please replace a halo in the molecule COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)c(F)c1 with hydroxyl.,COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)c(F)c1,halo,hydroxyl
60376,Substitute a halo in the molecule COC(=O)C(C)(C)CNc1ccccc1SC(F)F with thiol.,COC(=O)C(C)(C)CNc1ccccc1SC(F)F,halo,thiol
147862,Modify the molecule COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC by substituting a halo with aldehyde.,COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC,halo,aldehyde
24082,Modify the molecule CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1 by substituting a halo with nitrile.,CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1,halo,nitrile
122573,Please substitute a halo in the molecule CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 by thiol.,CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1,halo,thiol
105562,Substitute a halo in the molecule COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 with carboxyl.,COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1,halo,carboxyl
201968,Please substitute a halo in the molecule O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1 by thiol.,O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1,halo,thiol
242825,Replace a halo in the molecule Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F by nitrile.,Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F,halo,nitrile
65462,Modify the molecule Cc1cccc(CC[C@H]([NH3+])Cc2ccc(F)cc2F)c1 by substituting a halo with hydroxyl.,Cc1cccc(CC[C@H]([NH3+])Cc2ccc(F)cc2F)c1,halo,hydroxyl
109794,Substitute a halo in the molecule Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2cc(Cl)ccc2n1C with aldehyde.,Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2cc(Cl)ccc2n1C,halo,aldehyde
166835,Please substitute a nitrile in the molecule COc1ccc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)cc1 by aldehyde.,COc1ccc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)cc1,nitrile,aldehyde
58683,Replace a halo in the molecule CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-] by nitrile.,CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-],halo,nitrile
38776,Modify the molecule CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1 by substituting a halo with carboxyl.,CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1,halo,carboxyl
151065,Modify the molecule COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-] by substituting a nitro with halo.,COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-],nitro,halo
21955,Substitute a hydroxyl in the molecule CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O with nitrile.,CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O,hydroxyl,nitrile
100138,Modify the molecule COc1cc(C(=O)N(C)C)ccc1NC(=O)NNc1ccc(F)cc1 by replacing a halo by hydroxyl.,COc1cc(C(=O)N(C)C)ccc1NC(=O)NNc1ccc(F)cc1,halo,hydroxyl
47137,Replace a halo in the molecule Nc1c(Cl)cc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl by thiol.,Nc1c(Cl)cc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl,halo,thiol
62688,Please substitute a halo in the molecule O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1 by carboxyl.,O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1,halo,carboxyl
92196,Modify the molecule Cn1c(CC2CC[NH2+]CC2)nc2c(F)cccc21 by substituting a halo with aldehyde.,Cn1c(CC2CC[NH2+]CC2)nc2c(F)cccc21,halo,aldehyde
169401,Modify the molecule C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1 by replacing a halo by hydroxyl.,C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1,halo,hydroxyl
90261,Substitute a hydroxyl in the molecule C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)O with aldehyde.,C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)O,hydroxyl,aldehyde
69954,Please replace a nitro in the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCO1 with halo.,Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCO1,nitro,halo
31469,Modify the molecule CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1 by replacing a halo by carboxyl.,CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1,halo,carboxyl
56179,Substitute a halo in the molecule CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl with carboxyl.,CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl,halo,carboxyl
111018,Modify the molecule Cc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1 by substituting a halo with nitrile.,Cc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1,halo,nitrile
88566,Modify the molecule O=C(NO)/C(CC(=O)c1ccc(O)cc1)=N/O by replacing a hydroxyl by aldehyde.,O=C(NO)/C(CC(=O)c1ccc(O)cc1)=N/O,hydroxyl,aldehyde
125847,Please substitute a nitro in the molecule O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 by nitrile.,O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2,nitro,nitrile
41176,Please replace a halo in the molecule CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1 with carboxyl.,CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1,halo,carboxyl
69727,Modify the molecule COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1 by substituting a nitro with halo.,COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1,nitro,halo
178527,Replace a halo in the molecule Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1C by nitro.,Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1C,halo,nitro
210928,Please substitute a hydroxyl in the molecule CCCCn1ccc([C@H](O)C(C)C)c1 by nitrile.,CCCCn1ccc([C@H](O)C(C)C)c1,hydroxyl,nitrile
153226,Please substitute a halo in the molecule Nc1ccc(SCC(=O)NC(=O)c2ccccc2Cl)cn1 by nitro.,Nc1ccc(SCC(=O)NC(=O)c2ccccc2Cl)cn1,halo,nitro
93014,Substitute a halo in the molecule O=C(CCCn1sc2ccccc2c1=O)NCc1ccc(F)cc1 with thiol.,O=C(CCCn1sc2ccccc2c1=O)NCc1ccc(F)cc1,halo,thiol
197771,Substitute a halo in the molecule CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C with nitrile.,CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C,halo,nitrile
195261,Modify the molecule Cn1ccnc(NC(=O)CCc2ccc(Br)cc2)c1=O by replacing a halo by hydroxyl.,Cn1ccnc(NC(=O)CCc2ccc(Br)cc2)c1=O,halo,hydroxyl
218426,Please substitute a nitrile in the molecule CC[C@H](C#N)OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 by halo.,CC[C@H](C#N)OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1,nitrile,halo
220149,Replace a nitro in the molecule CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 by aldehyde.,CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1,nitro,aldehyde
173804,Replace a halo in the molecule Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C by aldehyde.,Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C,halo,aldehyde
3198,Please substitute a halo in the molecule Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c1CC(C)(C)O2 by carboxyl.,Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c1CC(C)(C)O2,halo,carboxyl
246443,Substitute a nitrile in the molecule CSc1nc([O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C#N with nitro.,CSc1nc([O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C#N,nitrile,nitro
102868,Modify the molecule Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1 by replacing a hydroxyl by carboxyl.,Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1,hydroxyl,carboxyl
107192,Substitute a halo in the molecule CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F with nitrile.,CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F,halo,nitrile
111461,Modify the molecule O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 by substituting a halo with nitrile.,O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1,halo,nitrile
50623,Please replace a nitrile in the molecule N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1 with hydroxyl.,N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1,nitrile,hydroxyl
172109,Please substitute a nitrile in the molecule N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1 by nitro.,N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1,nitrile,nitro
33845,Replace a halo in the molecule Cc1cccc(C)c1-n1ccn(Cc2nc(-c3cccc(F)c3)no2)c(=O)c1=O by hydroxyl.,Cc1cccc(C)c1-n1ccn(Cc2nc(-c3cccc(F)c3)no2)c(=O)c1=O,halo,hydroxyl
3054,Please replace a hydroxyl in the molecule O[C@H](CNc1ncnc2sc3c(c12)CCNC3)c1ccccc1 with nitrile.,O[C@H](CNc1ncnc2sc3c(c12)CCNC3)c1ccccc1,hydroxyl,nitrile
175696,Please substitute a halo in the molecule O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl by carboxyl.,O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl,halo,carboxyl
104540,Replace a halo in the molecule COc1cccc(CCNCc2c(F)cccc2F)c1 by hydroxyl.,COc1cccc(CCNCc2c(F)cccc2F)c1,halo,hydroxyl
80705,Please replace a hydroxyl in the molecule CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1C[NH+](CC)CC(C)(C)O with nitrile.,CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1C[NH+](CC)CC(C)(C)O,hydroxyl,nitrile
144987,Please replace a halo in the molecule COc1ccc([C@H]2OCC[C@H]2CCl)c(Cl)c1OC with hydroxyl.,COc1ccc([C@H]2OCC[C@H]2CCl)c(Cl)c1OC,halo,hydroxyl
164307,Please replace a hydroxyl in the molecule C[C@@H]1CN(C[C@H](O)COc2ccccc2F)C(C)(C)CO1 with carboxyl.,C[C@@H]1CN(C[C@H](O)COc2ccccc2F)C(C)(C)CO1,hydroxyl,carboxyl
147222,Please substitute a halo in the molecule CCCS(=O)(=O)NCCc1cc(F)ccc1F by nitrile.,CCCS(=O)(=O)NCCc1cc(F)ccc1F,halo,nitrile
186941,Substitute a halo in the molecule Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O with carboxyl.,Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O,halo,carboxyl
25322,Replace a halo in the molecule C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccc(F)c1 by aldehyde.,C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccc(F)c1,halo,aldehyde
162956,Modify the molecule O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 by substituting a nitro with hydroxyl.,O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1,nitro,hydroxyl
179040,Modify the molecule Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 by substituting a halo with nitrile.,Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1,halo,nitrile
145434,Replace a hydroxyl in the molecule CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccc(C)o1 by nitro.,CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccc(C)o1,hydroxyl,nitro
66023,Please substitute a nitro in the molecule CNC(=O)NC(=O)COc1ccc(C)cc1[N+](=O)[O-] by aldehyde.,CNC(=O)NC(=O)COc1ccc(C)cc1[N+](=O)[O-],nitro,aldehyde
124462,Modify the molecule CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1 by replacing a halo by carboxyl.,CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1,halo,carboxyl
119982,Modify the molecule CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 by replacing a halo by nitrile.,CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1,halo,nitrile
75267,Substitute a hydroxyl in the molecule O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1 with carboxyl.,O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1,hydroxyl,carboxyl
31636,Modify the molecule CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CO)CCOCC1 by substituting a hydroxyl with halo.,CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CO)CCOCC1,hydroxyl,halo
193698,Modify the molecule Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1 by substituting a halo with thiol.,Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1,halo,thiol
187162,Replace a halo in the molecule Cc1ccc(Cl)cc1C[NH3+] by thiol.,Cc1ccc(Cl)cc1C[NH3+],halo,thiol
205496,Please substitute a hydroxyl in the molecule N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 by halo.,N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)cc1,hydroxyl,halo
183563,Substitute a halo in the molecule Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)s1 with nitro.,Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)s1,halo,nitro
128700,Modify the molecule CCC[C@@H](C)C[C@H]([NH3+])c1ncc(Cl)cc1Cl by substituting a halo with carboxyl.,CCC[C@@H](C)C[C@H]([NH3+])c1ncc(Cl)cc1Cl,halo,carboxyl
158912,Modify the molecule COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 by substituting a halo with carboxyl.,COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1,halo,carboxyl
5914,Please replace a halo in the molecule COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1 with carboxyl.,COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1,halo,carboxyl
167994,Please substitute a hydroxyl in the molecule COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 by aldehyde.,COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1,hydroxyl,aldehyde
32000,Please substitute a halo in the molecule Brc1cn2c(C[NH2+]C[C@@H]3CCCCO3)cnc2cn1 by carboxyl.,Brc1cn2c(C[NH2+]C[C@@H]3CCCCO3)cnc2cn1,halo,carboxyl
21649,Modify the molecule NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1c1ccccc1 by substituting a halo with nitrile.,NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1c1ccccc1,halo,nitrile
28770,Modify the molecule CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N by substituting a nitrile with nitro.,CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N,nitrile,nitro
179940,Modify the molecule C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1 by substituting a hydroxyl with halo.,C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1,hydroxyl,halo
56649,Modify the molecule Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21 by substituting a nitrile with carboxyl.,Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21,nitrile,carboxyl
203033,Modify the molecule NNc1ccc(Cl)c(CSC2COC2)n1 by replacing a halo by nitrile.,NNc1ccc(Cl)c(CSC2COC2)n1,halo,nitrile
39443,Please substitute a halo in the molecule CCCN1CCO[C@H]([C@H]([NH2+]C)c2ccc(F)c(F)c2)C1 by nitro.,CCCN1CCO[C@H]([C@H]([NH2+]C)c2ccc(F)c(F)c2)C1,halo,nitro
226403,Please substitute a halo in the molecule CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 by thiol.,CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1,halo,thiol
226101,Modify the molecule CC(C)(CCBr)c1ccc(F)c(F)c1 by replacing a halo by hydroxyl.,CC(C)(CCBr)c1ccc(F)c(F)c1,halo,hydroxyl
226743,Modify the molecule C[C@@H](CC[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F by substituting a halo with nitro.,C[C@@H](CC[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F,halo,nitro
131082,Replace a halo in the molecule CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1 by carboxyl.,CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1,halo,carboxyl
108221,Please replace a halo in the molecule NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 with nitro.,NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1,halo,nitro
56280,Modify the molecule O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O by substituting a halo with thiol.,O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O,halo,thiol
101464,Substitute a hydroxyl in the molecule CC[C@](C)(CCO)NC(=O)Nc1cc(COC)ncn1 with thiol.,CC[C@](C)(CCO)NC(=O)Nc1cc(COC)ncn1,hydroxyl,thiol
21293,Replace a halo in the molecule O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 by hydroxyl.,O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1,halo,hydroxyl
5716,Substitute a halo in the molecule COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C with nitrile.,COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C,halo,nitrile
119322,Replace a halo in the molecule O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 by carboxyl.,O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1,halo,carboxyl
116257,Please substitute a halo in the molecule CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 by carboxyl.,CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1,halo,carboxyl
122729,Replace a hydroxyl in the molecule Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1 by nitro.,Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1,hydroxyl,nitro
109601,Modify the molecule CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC[C@@H]1C by substituting a halo with aldehyde.,CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC[C@@H]1C,halo,aldehyde
93497,Modify the molecule CC[NH+](C[C@H](O)c1ccc(C)cc1)C1C[C@H](C)O[C@H](C)C1 by substituting a hydroxyl with nitro.,CC[NH+](C[C@H](O)c1ccc(C)cc1)C1C[C@H](C)O[C@H](C)C1,hydroxyl,nitro
217026,Replace a halo in the molecule CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 by thiol.,CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12,halo,thiol
200275,Substitute a nitrile in the molecule N#Cc1cccnc1O[C@@H]1CCC[NH2+]C1 with thiol.,N#Cc1cccnc1O[C@@H]1CCC[NH2+]C1,nitrile,thiol
164075,Substitute a hydroxyl in the molecule CN(C(=O)c1c(O)cc(F)cc1F)C1CCN(c2cccc(F)c2)CC1 with thiol.,CN(C(=O)c1c(O)cc(F)cc1F)C1CCN(c2cccc(F)c2)CC1,hydroxyl,thiol
130837,Replace a halo in the molecule CC[NH+]1CCC[C@@H]([C@@H](C)Nc2cccc(C(F)(F)F)c2)C1 by nitrile.,CC[NH+]1CCC[C@@H]([C@@H](C)Nc2cccc(C(F)(F)F)c2)C1,halo,nitrile
213677,Replace a halo in the molecule Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1 by carboxyl.,Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1,halo,carboxyl
30932,Replace a halo in the molecule O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl by aldehyde.,O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl,halo,aldehyde
91583,Modify the molecule CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1 by replacing a halo by aldehyde.,CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1,halo,aldehyde
185055,Please substitute a hydroxyl in the molecule CC[C@@H](CO)N1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 by carboxyl.,CC[C@@H](CO)N1CC[NH+](Cc2coc(-c3cccs3)n2)CC1,hydroxyl,carboxyl
185481,Modify the molecule N#Cc1ccncc1N1CCC(Nc2ccc(F)cc2)CC1 by substituting a nitrile with hydroxyl.,N#Cc1ccncc1N1CCC(Nc2ccc(F)cc2)CC1,nitrile,hydroxyl
168786,Replace a halo in the molecule O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F by thiol.,O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F,halo,thiol
119581,Please replace a halo in the molecule CN(Cc1cccc(F)c1)C(=O)CCCn1ccnn1 with nitrile.,CN(Cc1cccc(F)c1)C(=O)CCCn1ccnn1,halo,nitrile
20336,Modify the molecule O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 by replacing a halo by aldehyde.,O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1,halo,aldehyde
45204,Please replace a hydroxyl in the molecule CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)Cc1ccccc1 with thiol.,CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)Cc1ccccc1,hydroxyl,thiol
202216,Replace a halo in the molecule CSc1ncc(C(=O)NC2CCCC2)c(Cl)n1 by nitro.,CSc1ncc(C(=O)NC2CCCC2)c(Cl)n1,halo,nitro
170727,Modify the molecule N#Cc1cccc(NC(=O)c2ccncc2Cl)c1 by substituting a halo with nitro.,N#Cc1cccc(NC(=O)c2ccncc2Cl)c1,halo,nitro
222710,Please replace a halo in the molecule Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C[NH+](C)C with thiol.,Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C[NH+](C)C,halo,thiol
171969,Modify the molecule CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2cccc(F)c2Cl)C1 by replacing a halo by nitrile.,CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2cccc(F)c2Cl)C1,halo,nitrile
202235,Modify the molecule N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 by replacing a nitrile by nitro.,N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1,nitrile,nitro
162420,Modify the molecule COc1ccc(F)c(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 by substituting a nitrile with thiol.,COc1ccc(F)c(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1,nitrile,thiol
169637,Replace a halo in the molecule CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)on1 by nitro.,CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)on1,halo,nitro
64482,Modify the molecule C[C@@H]1CCc2c(sc3ncn(CCCO)c(=O)c23)C1 by substituting a hydroxyl with nitrile.,C[C@@H]1CCc2c(sc3ncn(CCCO)c(=O)c23)C1,hydroxyl,nitrile
82436,Modify the molecule NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 by replacing a halo by aldehyde.,NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12,halo,aldehyde
164542,Please substitute a hydroxyl in the molecule CS(=O)(=O)N[C@H](CCO)c1ccccc1 by nitro.,CS(=O)(=O)N[C@H](CCO)c1ccccc1,hydroxyl,nitro
196638,Modify the molecule Cc1ccc2nc(CSCC(=O)NCCc3ccccc3F)cn2c1 by substituting a halo with carboxyl.,Cc1ccc2nc(CSCC(=O)NCCc3ccccc3F)cn2c1,halo,carboxyl
218038,Modify the molecule Cc1cc(I)ccc1NC(=O)C[NH+](C)[C@@H]1CCc2ccccc21 by substituting a halo with thiol.,Cc1cc(I)ccc1NC(=O)C[NH+](C)[C@@H]1CCc2ccccc21,halo,thiol
211001,Please substitute a halo in the molecule Cc1cc(CNC(=O)CS(=O)(=O)Cc2ncoc2C(C)C)ccc1F by carboxyl.,Cc1cc(CNC(=O)CS(=O)(=O)Cc2ncoc2C(C)C)ccc1F,halo,carboxyl
197624,Please replace a hydroxyl in the molecule CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1 with nitro.,CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1,hydroxyl,nitro
39806,Please substitute a halo in the molecule O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 by nitro.,O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1,halo,nitro
120054,Replace a nitro in the molecule CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1 by halo.,CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1,nitro,halo
216153,Please substitute a halo in the molecule CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 by nitro.,CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,halo,nitro
62131,Replace a halo in the molecule O=c1ccc(C(F)(F)F)cn1Cc1coc(-c2ccccc2)n1 by nitrile.,O=c1ccc(C(F)(F)F)cn1Cc1coc(-c2ccccc2)n1,halo,nitrile
187810,Please substitute a halo in the molecule COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 by nitro.,COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1,halo,nitro
215014,Please substitute a hydroxyl in the molecule CC1=CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)[O-])[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O by carboxyl.,CC1=CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)[O-])[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O,hydroxyl,carboxyl
139022,Substitute a halo in the molecule Nc1ccc(SCc2nc(-c3ccco3)no2)cc1F with hydroxyl.,Nc1ccc(SCc2nc(-c3ccco3)no2)cc1F,halo,hydroxyl
127070,Modify the molecule CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 by replacing a halo by aldehyde.,CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1,halo,aldehyde
120809,Please replace a halo in the molecule O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(F)(F)F with carboxyl.,O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(F)(F)F,halo,carboxyl
42564,Please replace a nitrile in the molecule N#Cc1cccc(CS(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 with thiol.,N#Cc1cccc(CS(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1,nitrile,thiol
46877,Please substitute a halo in the molecule C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 by nitrile.,C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1,halo,nitrile
52603,Replace a halo in the molecule COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 by hydroxyl.,COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1,halo,hydroxyl
153177,Modify the molecule CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/[S-])NC)cc1 by substituting a halo with aldehyde.,CCc1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/[S-])NC)cc1,halo,aldehyde
163251,Replace a nitro in the molecule COc1ccc([N+](=O)[O-])cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 by hydroxyl.,COc1ccc([N+](=O)[O-])cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1,nitro,hydroxyl
20433,Please substitute a halo in the molecule Nc1scc[n+]1Cc1cccc(F)c1 by carboxyl.,Nc1scc[n+]1Cc1cccc(F)c1,halo,carboxyl
45043,Please replace a halo in the molecule CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2Cl)C1 with aldehyde.,CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2Cl)C1,halo,aldehyde
171244,Please substitute a halo in the molecule S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 by hydroxyl.,S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1,halo,hydroxyl
168550,Modify the molecule CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1cnn2C by substituting a nitrile with halo.,CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1cnn2C,nitrile,halo
79874,Modify the molecule CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(C(F)(F)F)c1 by substituting a halo with thiol.,CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(C(F)(F)F)c1,halo,thiol
95847,Modify the molecule O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 by replacing a halo by thiol.,O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1,halo,thiol
97917,Please substitute a halo in the molecule O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 by nitro.,O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2,halo,nitro
185506,Modify the molecule C[C@H](CCCO)Nc1ccc(C#N)c(N)c1 by substituting a nitrile with aldehyde.,C[C@H](CCCO)Nc1ccc(C#N)c(N)c1,nitrile,aldehyde
13772,Substitute a hydroxyl in the molecule C[C@@H](O)[C@@H]1CCCC[NH+]1Cc1ccccc1OCc1cccnc1 with carboxyl.,C[C@@H](O)[C@@H]1CCCC[NH+]1Cc1ccccc1OCc1cccnc1,hydroxyl,carboxyl
162650,Replace a nitro in the molecule O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1 by nitrile.,O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1,nitro,nitrile
167761,Modify the molecule Cc1nc(Cl)sc1C(=O)N1CCC[C@H]([NH+](C)C)C1 by substituting a halo with nitrile.,Cc1nc(Cl)sc1C(=O)N1CCC[C@H]([NH+](C)C)C1,halo,nitrile
89674,Please replace a halo in the molecule CC[NH2+]C[C@@H](CC1CCOCC1)c1cccc(Cl)c1 with nitro.,CC[NH2+]C[C@@H](CC1CCOCC1)c1cccc(Cl)c1,halo,nitro
99261,Please replace a halo in the molecule COC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)s1 with thiol.,COC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)s1,halo,thiol
103897,Substitute a halo in the molecule C[NH+]1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2 with carboxyl.,C[NH+]1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2,halo,carboxyl
69721,Please substitute a halo in the molecule C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1 by carboxyl.,C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1,halo,carboxyl
139718,Substitute a halo in the molecule Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 with aldehyde.,Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1,halo,aldehyde
28787,Substitute a halo in the molecule CN(Cc1ccccc1F)C(=O)COC(=O)c1c[nH]c2ccccc12 with nitrile.,CN(Cc1ccccc1F)C(=O)COC(=O)c1c[nH]c2ccccc12,halo,nitrile
107751,Please substitute a halo in the molecule C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F by aldehyde.,C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F,halo,aldehyde
133695,Replace a halo in the molecule CC(C)n1cc(CCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 by nitrile.,CC(C)n1cc(CCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21,halo,nitrile
37948,Please replace a hydroxyl in the molecule CO[C@H](C)[C@H](O)c1cc(F)ccc1C with thiol.,CO[C@H](C)[C@H](O)c1cc(F)ccc1C,hydroxyl,thiol
248229,Modify the molecule COc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2F)cc1F by replacing a halo by thiol.,COc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2F)cc1F,halo,thiol
124864,Substitute a hydroxyl in the molecule CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl with aldehyde.,CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl,hydroxyl,aldehyde
175471,Replace a hydroxyl in the molecule C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1 by aldehyde.,C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1,hydroxyl,aldehyde
184946,Modify the molecule CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl by replacing a halo by hydroxyl.,CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl,halo,hydroxyl
75686,Replace a halo in the molecule CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl by carboxyl.,CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl,halo,carboxyl
122778,Please replace a halo in the molecule CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 with nitrile.,CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1,halo,nitrile
196310,Substitute a nitro in the molecule O=[N+]([O-])c1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1 with hydroxyl.,O=[N+]([O-])c1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1,nitro,hydroxyl
73791,Replace a halo in the molecule CCOC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CC[NH+](CC)C2 by carboxyl.,CCOC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CC[NH+](CC)C2,halo,carboxyl
78408,Replace a nitro in the molecule CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O by thiol.,CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O,nitro,thiol
48320,Replace a halo in the molecule CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1 by hydroxyl.,CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1,halo,hydroxyl
30398,Substitute a halo in the molecule Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 with nitro.,Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1,halo,nitro
112766,Replace a halo in the molecule O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 by nitro.,O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1,halo,nitro
94486,Substitute a halo in the molecule CCOc1cc(Cl)c([C@H](Cl)[C@@H]2CCO[C@@H]2C)cc1OCC with nitro.,CCOc1cc(Cl)c([C@H](Cl)[C@@H]2CCO[C@@H]2C)cc1OCC,halo,nitro
139897,Modify the molecule CC[C@@H](C)c1ccc(Cn2c(C=O)nc3ccccc32)cc1 by substituting a aldehyde with nitro.,CC[C@@H](C)c1ccc(Cn2c(C=O)nc3ccccc32)cc1,aldehyde,nitro
71806,Substitute a hydroxyl in the molecule C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C with aldehyde.,C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C,hydroxyl,aldehyde
147968,Please replace a nitrile in the molecule CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1 with hydroxyl.,CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1,nitrile,hydroxyl
225157,Replace a halo in the molecule Fc1ccc(/C=N/Nc2cnccn2)cc1 by nitrile.,Fc1ccc(/C=N/Nc2cnccn2)cc1,halo,nitrile
111630,Please substitute a hydroxyl in the molecule COc1cccc([C@@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)c1 by aldehyde.,COc1cccc([C@@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)c1,hydroxyl,aldehyde
58567,Replace a halo in the molecule Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1Br by thiol.,Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1Br,halo,thiol
96679,Modify the molecule O=S(=O)(C[C@H]1CCCO1)c1ccccc1Cl by substituting a halo with nitro.,O=S(=O)(C[C@H]1CCCO1)c1ccccc1Cl,halo,nitro
40697,Substitute a nitrile in the molecule N#Cc1cccc(NC(=O)c2cccc(Br)c2)c1 with aldehyde.,N#Cc1cccc(NC(=O)c2cccc(Br)c2)c1,nitrile,aldehyde
79919,Please replace a halo in the molecule C[C@H](Cn1cccn1)Nc1cc(Cl)c(Cl)cc1N with carboxyl.,C[C@H](Cn1cccn1)Nc1cc(Cl)c(Cl)cc1N,halo,carboxyl
75161,Replace a halo in the molecule Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 by thiol.,Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1,halo,thiol
159048,Substitute a halo in the molecule CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1 with carboxyl.,CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1,halo,carboxyl
110518,Substitute a halo in the molecule Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1 with hydroxyl.,Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1,halo,hydroxyl
17352,Modify the molecule CN1CCO[C@H](C[NH2+]CC2CC(Cl)C2)C1 by substituting a halo with carboxyl.,CN1CCO[C@H](C[NH2+]CC2CC(Cl)C2)C1,halo,carboxyl
6682,Modify the molecule C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1 by replacing a nitrile by hydroxyl.,C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1,nitrile,hydroxyl
121807,Modify the molecule Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1 by replacing a nitrile by hydroxyl.,Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1,nitrile,hydroxyl
114916,Substitute a halo in the molecule C[C@H]1C[C@H](C)CN(c2cccc(F)c2C(N)=S)C1 with aldehyde.,C[C@H]1C[C@H](C)CN(c2cccc(F)c2C(N)=S)C1,halo,aldehyde
141591,Please replace a halo in the molecule CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)C1 with carboxyl.,CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)C1,halo,carboxyl
150624,Modify the molecule O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 by replacing a halo by nitrile.,O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1,halo,nitrile
82491,Replace a nitrile in the molecule Cc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1 by carboxyl.,Cc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1,nitrile,carboxyl
81044,Modify the molecule CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O by substituting a hydroxyl with aldehyde.,CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O,hydroxyl,aldehyde
189732,Replace a nitrile in the molecule Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@H]1CCCO1 by halo.,Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@H]1CCCO1,nitrile,halo
92787,Substitute a halo in the molecule C[NH2+][C@H](CCO)c1cccnc1Cl with carboxyl.,C[NH2+][C@H](CCO)c1cccnc1Cl,halo,carboxyl
6707,Please substitute a hydroxyl in the molecule Cc1ccc([C@@H]2CSCCN2Cc2c(C)nn(CCO)c2C)cc1 by carboxyl.,Cc1ccc([C@@H]2CSCCN2Cc2c(C)nn(CCO)c2C)cc1,hydroxyl,carboxyl
239922,Modify the molecule CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 by replacing a halo by thiol.,CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1,halo,thiol
78755,Please replace a halo in the molecule O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1 with nitrile.,O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1,halo,nitrile
126055,Replace a halo in the molecule Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 by carboxyl.,Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1,halo,carboxyl
70811,Modify the molecule CCC1(CC)CC[NH+](Cc2ccc(OC)c(Br)c2)C1 by substituting a halo with aldehyde.,CCC1(CC)CC[NH+](Cc2ccc(OC)c(Br)c2)C1,halo,aldehyde
13330,Please replace a halo in the molecule O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1 with thiol.,O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1,halo,thiol
70613,Modify the molecule [NH3+][C@H](Cc1cccc(F)c1)[C@H]1CSCCO1 by replacing a halo by hydroxyl.,[NH3+][C@H](Cc1cccc(F)c1)[C@H]1CSCCO1,halo,hydroxyl
36403,Modify the molecule CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C by replacing a nitro by halo.,CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C,nitro,halo
15905,Substitute a halo in the molecule CCC[NH2+][C@@H](Cc1ncccc1C)c1ccc(Cl)cc1 with hydroxyl.,CCC[NH2+][C@@H](Cc1ncccc1C)c1ccc(Cl)cc1,halo,hydroxyl
210917,Replace a nitro in the molecule O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 by thiol.,O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,nitro,thiol
7035,Modify the molecule CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 by substituting a hydroxyl with nitrile.,CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1,hydroxyl,nitrile
128220,Modify the molecule CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(OC)cc1 by replacing a halo by carboxyl.,CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(OC)cc1,halo,carboxyl
14351,Modify the molecule O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1 by substituting a halo with carboxyl.,O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1,halo,carboxyl
218771,Modify the molecule CN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1 by replacing a halo by hydroxyl.,CN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1,halo,hydroxyl
191727,Please replace a hydroxyl in the molecule C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1 with carboxyl.,C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1,hydroxyl,carboxyl
154253,Modify the molecule Cc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1F by substituting a halo with carboxyl.,Cc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1F,halo,carboxyl
138925,Modify the molecule C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 by substituting a halo with nitro.,C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1,halo,nitro
165384,Please substitute a halo in the molecule CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1 by nitrile.,CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1,halo,nitrile
27665,Please replace a halo in the molecule CC[C@@H]1CN(Cc2cc(F)cc(C#CC[NH3+])c2)CC[NH+]1C with carboxyl.,CC[C@@H]1CN(Cc2cc(F)cc(C#CC[NH3+])c2)CC[NH+]1C,halo,carboxyl
242302,Please replace a halo in the molecule CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O with nitrile.,CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O,halo,nitrile
219217,Please substitute a halo in the molecule O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 by nitrile.,O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1,halo,nitrile
116417,Substitute a halo in the molecule C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[C@@H]1CN(C)CCO1 with carboxyl.,C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[C@@H]1CN(C)CCO1,halo,carboxyl
23017,Please replace a halo in the molecule CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)nc1[O-] with nitro.,CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)nc1[O-],halo,nitro
228153,Modify the molecule Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] by substituting a halo with aldehyde.,Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-],halo,aldehyde
222261,Please replace a hydroxyl in the molecule CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1 with carboxyl.,CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1,hydroxyl,carboxyl
7575,Modify the molecule COCCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1 by substituting a halo with hydroxyl.,COCCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1,halo,hydroxyl
142478,Modify the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 by replacing a halo by carboxyl.,C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1,halo,carboxyl
248983,Substitute a halo in the molecule CN(C)C(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 with carboxyl.,CN(C)C(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1,halo,carboxyl
10893,Modify the molecule C[C@H]1CCC[C@@](CNC(=O)c2cccc(SCC#N)c2)([NH+](C)C)C1 by substituting a nitrile with carboxyl.,C[C@H]1CCC[C@@](CNC(=O)c2cccc(SCC#N)c2)([NH+](C)C)C1,nitrile,carboxyl
145445,Replace a halo in the molecule C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 by hydroxyl.,C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1,halo,hydroxyl
164902,Modify the molecule COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)c1cnn(C)c1 by substituting a hydroxyl with thiol.,COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)c1cnn(C)c1,hydroxyl,thiol
10714,Substitute a halo in the molecule CO[C@H](C)C(=O)Oc1ccc(Br)cc1Br with aldehyde.,CO[C@H](C)C(=O)Oc1ccc(Br)cc1Br,halo,aldehyde
56037,Modify the molecule Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2 by substituting a hydroxyl with nitrile.,Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2,hydroxyl,nitrile
209571,Substitute a halo in the molecule O=C(CSc1cccc(Br)c1)c1ccc2c(c1)CCO2 with nitrile.,O=C(CSc1cccc(Br)c1)c1ccc2c(c1)CCO2,halo,nitrile
62237,Modify the molecule COc1cc(C[NH+]2CC[C@@H](NC(=O)c3ccc(C=O)cc3)C2)cc(OC)c1 by substituting a aldehyde with nitrile.,COc1cc(C[NH+]2CC[C@@H](NC(=O)c3ccc(C=O)cc3)C2)cc(OC)c1,aldehyde,nitrile
88685,Substitute a halo in the molecule CC(C)[C@@H]1CCC[NH+](CCCNC(=O)C(F)(F)F)CC1 with aldehyde.,CC(C)[C@@H]1CCC[NH+](CCCNC(=O)C(F)(F)F)CC1,halo,aldehyde
112857,Please substitute a halo in the molecule CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(F)(F)F)nc1[O-] by nitrile.,CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(F)(F)F)nc1[O-],halo,nitrile
94881,Please substitute a halo in the molecule ClCC/C=C/Cc1csc2ccccc12 by hydroxyl.,ClCC/C=C/Cc1csc2ccccc12,halo,hydroxyl
55900,Modify the molecule CS(=O)(=O)c1cnn(-c2ccc(Cl)nn2)c1N by replacing a halo by thiol.,CS(=O)(=O)c1cnn(-c2ccc(Cl)nn2)c1N,halo,thiol
133003,Substitute a halo in the molecule Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F with nitrile.,Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F,halo,nitrile
36,Substitute a halo in the molecule O=C(O[C@H]1CCOC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 with nitro.,O=C(O[C@H]1CCOC1)C1(c2ccc(Cl)c(Cl)c2)CCC1,halo,nitro
69394,Replace a hydroxyl in the molecule C[C@@H]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1O by thiol.,C[C@@H]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1O,hydroxyl,thiol
161085,Substitute a hydroxyl in the molecule CC(C)[C@H](CO)NC(=O)CCOc1cccc(N)c1 with carboxyl.,CC(C)[C@H](CO)NC(=O)CCOc1cccc(N)c1,hydroxyl,carboxyl
98435,Please replace a halo in the molecule O=[N+]([O-])c1ccc(N2CCN(c3ccccc3Cl)CC2)c(S(=O)(=O)N2CCCC2)c1 with carboxyl.,O=[N+]([O-])c1ccc(N2CCN(c3ccccc3Cl)CC2)c(S(=O)(=O)N2CCCC2)c1,halo,carboxyl
126593,Please substitute a hydroxyl in the molecule OC[C@@H]1CCCC[NH+]1Cc1nc(-c2cccc(Cl)c2)no1 by thiol.,OC[C@@H]1CCCC[NH+]1Cc1nc(-c2cccc(Cl)c2)no1,hydroxyl,thiol
154788,Please replace a halo in the molecule CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F with nitro.,CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F,halo,nitro
36446,Modify the molecule CCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CCO1 by replacing a halo by nitro.,CCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CCO1,halo,nitro
26976,Modify the molecule O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1 by replacing a halo by nitrile.,O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1,halo,nitrile
183404,Replace a halo in the molecule Cc1cc(F)cc(NC(=O)N[C@@H]2COC[C@H]2C(=O)[O-])c1 by thiol.,Cc1cc(F)cc(NC(=O)N[C@@H]2COC[C@H]2C(=O)[O-])c1,halo,thiol
28589,Modify the molecule O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 by replacing a halo by nitro.,O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1,halo,nitro
148853,Modify the molecule Fc1ccc(-n2c(=S)[nH]c3cnccc32)c(F)c1 by substituting a halo with nitrile.,Fc1ccc(-n2c(=S)[nH]c3cnccc32)c(F)c1,halo,nitrile
204416,Modify the molecule CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 by replacing a halo by carboxyl.,CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1,halo,carboxyl
61461,Replace a nitrile in the molecule CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1 by hydroxyl.,CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1,nitrile,hydroxyl
44410,Modify the molecule CC1(C)CC(=O)C2=C(C1)N[C@H]1N=NC(O)=C1[C@H]2C1[NH+]=c2ccccc2=[NH+]1 by replacing a hydroxyl by carboxyl.,CC1(C)CC(=O)C2=C(C1)N[C@H]1N=NC(O)=C1[C@H]2C1[NH+]=c2ccccc2=[NH+]1,hydroxyl,carboxyl
113743,Replace a halo in the molecule Nc1ccc2c(N[C@H]3CCN(c4ncccc4F)C3)ncnc2n1 by hydroxyl.,Nc1ccc2c(N[C@H]3CCN(c4ncccc4F)C3)ncnc2n1,halo,hydroxyl
168152,Please replace a halo in the molecule O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1 with nitrile.,O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1,halo,nitrile
232059,Replace a thiol in the molecule CCCc1cc(=O)[nH]c(SC[C@H](CS)C(C)(C)C)n1 by aldehyde.,CCCc1cc(=O)[nH]c(SC[C@H](CS)C(C)(C)C)n1,thiol,aldehyde
164455,Modify the molecule Oc1ccc(C[NH+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 by replacing a hydroxyl by carboxyl.,Oc1ccc(C[NH+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1,hydroxyl,carboxyl
211822,Please replace a halo in the molecule Cc1c(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cccc1[N+](=O)[O-] with nitrile.,Cc1c(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cccc1[N+](=O)[O-],halo,nitrile
124450,Please replace a nitro in the molecule CCOc1ccc(NCc2ccc(O)c([N+](=O)[O-])c2)c(C)c1 with carboxyl.,CCOc1ccc(NCc2ccc(O)c([N+](=O)[O-])c2)c(C)c1,nitro,carboxyl
195321,Please replace a halo in the molecule COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)c1 with hydroxyl.,COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)c1,halo,hydroxyl
228700,Modify the molecule CCCn1ncnc1C[C@H](O)[C@@](C)(CC)[NH+]1CCCC1 by replacing a hydroxyl by carboxyl.,CCCn1ncnc1C[C@H](O)[C@@](C)(CC)[NH+]1CCCC1,hydroxyl,carboxyl
233155,Please substitute a nitrile in the molecule N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc(-c2ccncc2)cs1 by hydroxyl.,N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc(-c2ccncc2)cs1,nitrile,hydroxyl
117006,Modify the molecule COC(=O)c1cc(F)c(C)c(NC(=O)c2ccccc2-c2cncnc2)c1 by substituting a halo with nitro.,COC(=O)c1cc(F)c(C)c(NC(=O)c2ccccc2-c2cncnc2)c1,halo,nitro
84197,Modify the molecule O=C(Cc1cnc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1)Nc1ccc(F)cc1 by substituting a halo with carboxyl.,O=C(Cc1cnc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1)Nc1ccc(F)cc1,halo,carboxyl
43769,Please replace a nitro in the molecule O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 with hydroxyl.,O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1,nitro,hydroxyl
242526,Substitute a halo in the molecule O=C(NCC[NH+]1CCCCC1)c1cc(COc2c(F)cccc2F)on1 with carboxyl.,O=C(NCC[NH+]1CCCCC1)c1cc(COc2c(F)cccc2F)on1,halo,carboxyl
233138,Replace a halo in the molecule COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)cc1Cl by nitro.,COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)cc1Cl,halo,nitro
83434,Please substitute a hydroxyl in the molecule COc1cccc(CN2CCN(c3nc(C)ns3)CC2)c1O by halo.,COc1cccc(CN2CCN(c3nc(C)ns3)CC2)c1O,hydroxyl,halo
45231,Modify the molecule Cc1cc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1F by substituting a halo with carboxyl.,Cc1cc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1F,halo,carboxyl
54571,Please replace a halo in the molecule O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1 with hydroxyl.,O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1,halo,hydroxyl
108751,Replace a halo in the molecule CC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 by nitrile.,CC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1,halo,nitrile
224585,Please substitute a hydroxyl in the molecule CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1 by carboxyl.,CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1,hydroxyl,carboxyl
191333,Replace a halo in the molecule CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl by carboxyl.,CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl,halo,carboxyl
231473,Modify the molecule Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 by replacing a halo by aldehyde.,Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1,halo,aldehyde
122871,Please substitute a nitrile in the molecule N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 by halo.,N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1,nitrile,halo
205153,Modify the molecule O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 by replacing a aldehyde by hydroxyl.,O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1,aldehyde,hydroxyl
53445,Modify the molecule CCN1C(=O)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C1=O by substituting a halo with nitro.,CCN1C(=O)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C1=O,halo,nitro
204459,Modify the molecule C[NH+](CCNCc1cc(C#N)cs1)C1CCCC1 by substituting a nitrile with aldehyde.,C[NH+](CCNCc1cc(C#N)cs1)C1CCCC1,nitrile,aldehyde
246058,Modify the molecule COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 by substituting a nitro with carboxyl.,COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C1,nitro,carboxyl
116750,Please replace a nitrile in the molecule N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 with aldehyde.,N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1,nitrile,aldehyde
125466,Replace a halo in the molecule C[C@]1(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1(Cl)Cl by nitrile.,C[C@]1(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1(Cl)Cl,halo,nitrile
18602,Modify the molecule CCc1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1 by substituting a halo with thiol.,CCc1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1,halo,thiol
151020,Please substitute a halo in the molecule CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 by nitro.,CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1,halo,nitro
80000,Substitute a halo in the molecule CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 with carboxyl.,CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1,halo,carboxyl
174887,Modify the molecule Cc1ccc2nc(/C(C#N)=C/c3cc4ccccc4nc3Cl)nc([O-])c2c1 by substituting a halo with nitro.,Cc1ccc2nc(/C(C#N)=C/c3cc4ccccc4nc3Cl)nc([O-])c2c1,halo,nitro
15304,Substitute a halo in the molecule CCN(C)c1cccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1 with thiol.,CCN(C)c1cccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1,halo,thiol
142084,Please replace a halo in the molecule Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1 with nitrile.,Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1,halo,nitrile
139539,Modify the molecule CC(C)(C)c1csc(NC(=O)c2csc(C#CCO)c2)n1 by substituting a hydroxyl with thiol.,CC(C)(C)c1csc(NC(=O)c2csc(C#CCO)c2)n1,hydroxyl,thiol
220101,Please substitute a halo in the molecule Cc1ccc(S(=O)(=O)/N=C(\[O-])CNC(=O)C(C)(C)C)cc1Cl by thiol.,Cc1ccc(S(=O)(=O)/N=C(\[O-])CNC(=O)C(C)(C)C)cc1Cl,halo,thiol
30018,Modify the molecule [NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1 by substituting a halo with aldehyde.,[NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1,halo,aldehyde
189812,Substitute a halo in the molecule COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F with aldehyde.,COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F,halo,aldehyde
203733,Modify the molecule O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O by substituting a hydroxyl with aldehyde.,O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O,hydroxyl,aldehyde
170757,Please substitute a nitro in the molecule O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 by aldehyde.,O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1,nitro,aldehyde
75775,Please replace a nitro in the molecule Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)o1 with carboxyl.,Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)o1,nitro,carboxyl
2071,Substitute a nitrile in the molecule Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 with nitro.,Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1,nitrile,nitro
100289,Modify the molecule Cc1cnc(SCC[C@@H]2CCC[C@]2(O)C[NH3+])nc1 by substituting a hydroxyl with halo.,Cc1cnc(SCC[C@@H]2CCC[C@]2(O)C[NH3+])nc1,hydroxyl,halo
140017,Substitute a halo in the molecule Cc1cc2c(cc1C)O[C@H](C(=O)OCc1c(C)nn(C)c1Cl)C2 with thiol.,Cc1cc2c(cc1C)O[C@H](C(=O)OCc1c(C)nn(C)c1Cl)C2,halo,thiol
49449,Modify the molecule Cc1ccc2oc(C(=O)NC[C@@H](O)c3ccc(F)cc3)cc2c1 by replacing a hydroxyl by thiol.,Cc1ccc2oc(C(=O)NC[C@@H](O)c3ccc(F)cc3)cc2c1,hydroxyl,thiol
173976,Replace a halo in the molecule O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 by nitrile.,O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1,halo,nitrile
164433,Please replace a hydroxyl in the molecule CCOC(=O)CCC(=O)N(C)CC(C)(C)O with nitrile.,CCOC(=O)CCC(=O)N(C)CC(C)(C)O,hydroxyl,nitrile
192428,Please replace a halo in the molecule BrCCc1noc2ccccc12 with aldehyde.,BrCCc1noc2ccccc12,halo,aldehyde
169418,Replace a nitrile in the molecule N#CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 by halo.,N#CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1,nitrile,halo
104388,Please replace a halo in the molecule Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F with nitrile.,Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F,halo,nitrile
79151,Replace a halo in the molecule CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(=O)OCC)C2 by aldehyde.,CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(=O)OCC)C2,halo,aldehyde
60465,Replace a halo in the molecule O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 by aldehyde.,O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1,halo,aldehyde
147774,Modify the molecule Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)[nH]n1 by replacing a hydroxyl by thiol.,Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)[nH]n1,hydroxyl,thiol
33642,Please replace a halo in the molecule COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 with carboxyl.,COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1,halo,carboxyl
176046,Substitute a hydroxyl in the molecule Cc1nn(C)c(C)c1CCC(=O)N(C)CC(C)(C)O with nitrile.,Cc1nn(C)c(C)c1CCC(=O)N(C)CC(C)(C)O,hydroxyl,nitrile
175275,Please substitute a halo in the molecule O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1 by carboxyl.,O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1,halo,carboxyl
66920,Replace a halo in the molecule C=CCN(CC=C)c1nncc(-c2ccc(Cl)cc2)n1 by nitro.,C=CCN(CC=C)c1nncc(-c2ccc(Cl)cc2)n1,halo,nitro
145294,Please substitute a halo in the molecule Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 by carboxyl.,Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1,halo,carboxyl
112295,Please substitute a nitrile in the molecule N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F by thiol.,N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F,nitrile,thiol
245727,Substitute a halo in the molecule C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F with nitro.,C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F,halo,nitro
219069,Please replace a hydroxyl in the molecule C[C@H]1OCC[C@H]1C(=O)N1CCN(CCO)CC1 with thiol.,C[C@H]1OCC[C@H]1C(=O)N1CCN(CCO)CC1,hydroxyl,thiol
79243,Modify the molecule COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 by substituting a hydroxyl with carboxyl.,COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1,hydroxyl,carboxyl
190537,Substitute a halo in the molecule CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 with nitrile.,CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,halo,nitrile
236495,Please substitute a halo in the molecule Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C by aldehyde.,Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C,halo,aldehyde
155225,Please substitute a halo in the molecule CCc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 by aldehyde.,CCc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1,halo,aldehyde
171364,Modify the molecule Cc1ccnc(NC(=O)COc2ccc(Br)cc2Cl)c1 by replacing a halo by thiol.,Cc1ccnc(NC(=O)COc2ccc(Br)cc2Cl)c1,halo,thiol
60099,Please replace a halo in the molecule O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)o1 with hydroxyl.,O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)o1,halo,hydroxyl
156030,Please replace a halo in the molecule CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F with thiol.,CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F,halo,thiol
76380,Modify the molecule N#Cc1ccc(C(=O)Cc2ccccc2Br)cc1 by replacing a halo by thiol.,N#Cc1ccc(C(=O)Cc2ccccc2Br)cc1,halo,thiol
198781,Modify the molecule Cc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1C#N by replacing a aldehyde by nitrile.,Cc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1C#N,aldehyde,nitrile
184834,Please replace a hydroxyl in the molecule COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O with thiol.,COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O,hydroxyl,thiol
195829,Modify the molecule O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N[C@H](S)N1Cc1ccc(F)cc1 by replacing a halo by thiol.,O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N[C@H](S)N1Cc1ccc(F)cc1,halo,thiol
81108,Replace a halo in the molecule COc1ccc(F)c(NC(=O)c2cccc(OC)c2F)c1 by carboxyl.,COc1ccc(F)c(NC(=O)c2cccc(OC)c2F)c1,halo,carboxyl
77518,Substitute a halo in the molecule C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F with hydroxyl.,C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F,halo,hydroxyl
147859,Substitute a halo in the molecule O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2Cl)CC1 with nitrile.,O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2Cl)CC1,halo,nitrile
13976,Please replace a halo in the molecule Cc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cnn1C with aldehyde.,Cc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cnn1C,halo,aldehyde
225527,Please replace a halo in the molecule C[C@H](c1ccc(F)cc1)[NH+](C)CC(=O)NNC(=O)c1ccccc1Cl with hydroxyl.,C[C@H](c1ccc(F)cc1)[NH+](C)CC(=O)NNC(=O)c1ccccc1Cl,halo,hydroxyl
216146,Substitute a nitro in the molecule COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1O with aldehyde.,COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1O,nitro,aldehyde
128819,Please substitute a halo in the molecule C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H](C[NH3+])O1 by hydroxyl.,C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H](C[NH3+])O1,halo,hydroxyl
242740,Modify the molecule COc1cc(CNC[C@@H](C)c2cccs2)cc(Br)c1O by substituting a halo with nitrile.,COc1cc(CNC[C@@H](C)c2cccs2)cc(Br)c1O,halo,nitrile
13168,Replace a hydroxyl in the molecule CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)ccc1O by nitro.,CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)ccc1O,hydroxyl,nitro
77092,Modify the molecule COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1 by substituting a nitro with thiol.,COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1,nitro,thiol
36948,Modify the molecule COc1cccc([C@@H]2NC(=O)C(C#N)=C([S-])N2c2ccccc2C)c1 by substituting a nitrile with aldehyde.,COc1cccc([C@@H]2NC(=O)C(C#N)=C([S-])N2c2ccccc2C)c1,nitrile,aldehyde
62577,Modify the molecule Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12 by replacing a nitro by carboxyl.,Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12,nitro,carboxyl
93498,Modify the molecule COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 by replacing a halo by carboxyl.,COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1,halo,carboxyl
93301,Replace a halo in the molecule COC(=O)C(C(=O)OC)=C(F)SCC(C)=O by thiol.,COC(=O)C(C(=O)OC)=C(F)SCC(C)=O,halo,thiol
69588,Substitute a halo in the molecule Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1 with hydroxyl.,Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1,halo,hydroxyl
208887,Modify the molecule [NH3+][C@H]1CCC[C@@H](Oc2ncccc2F)C1 by substituting a halo with carboxyl.,[NH3+][C@H]1CCC[C@@H](Oc2ncccc2F)C1,halo,carboxyl
85566,Modify the molecule N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1 by substituting a nitrile with aldehyde.,N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1,nitrile,aldehyde
38340,Modify the molecule O=C(Cc1ccc(F)c(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1 by substituting a halo with nitro.,O=C(Cc1ccc(F)c(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1,halo,nitro
105817,Please replace a nitro in the molecule COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] with hydroxyl.,COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-],nitro,hydroxyl
33745,Modify the molecule O=C(COC[C@H]1CCCCO1)N1CCCN(c2ccc(F)cc2)CC1 by replacing a halo by aldehyde.,O=C(COC[C@H]1CCCCO1)N1CCCN(c2ccc(F)cc2)CC1,halo,aldehyde
157443,Modify the molecule O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1 by replacing a halo by carboxyl.,O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1,halo,carboxyl
54821,Please replace a halo in the molecule C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C with carboxyl.,C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C,halo,carboxyl
59829,Replace a halo in the molecule CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 by nitro.,CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1,halo,nitro
151650,Modify the molecule C[C@H]1C[NH+]2CCCC[C@@H]2CN1CCC[C@](C)([NH3+])CO by substituting a hydroxyl with nitro.,C[C@H]1C[NH+]2CCCC[C@@H]2CN1CCC[C@](C)([NH3+])CO,hydroxyl,nitro
243316,Substitute a hydroxyl in the molecule NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1F with nitro.,NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1F,hydroxyl,nitro
153285,Modify the molecule C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 by replacing a hydroxyl by thiol.,C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1,hydroxyl,thiol
163117,Please substitute a halo in the molecule CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 by thiol.,CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1,halo,thiol
237233,Modify the molecule O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 by replacing a halo by carboxyl.,O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1,halo,carboxyl
198894,Modify the molecule O=C(C[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 by substituting a halo with thiol.,O=C(C[NH+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1,halo,thiol
60914,Please substitute a hydroxyl in the molecule C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C by thiol.,C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C,hydroxyl,thiol
243562,Modify the molecule C[C@@]1(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1(Cl)Cl by substituting a halo with carboxyl.,C[C@@]1(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1(Cl)Cl,halo,carboxyl
73701,Modify the molecule CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 by replacing a nitrile by aldehyde.,CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1,nitrile,aldehyde
31554,Please replace a halo in the molecule CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12 with aldehyde.,CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12,halo,aldehyde
243705,Substitute a halo in the molecule O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1 with nitro.,O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1,halo,nitro
135368,Substitute a halo in the molecule CC[C@H]1CCC[C@H](n2cc(C)c(I)n2)C1 with nitrile.,CC[C@H]1CCC[C@H](n2cc(C)c(I)n2)C1,halo,nitrile
194016,Substitute a halo in the molecule COc1ccc([C@H](Cl)[C@]2(C)CCCO2)c(Br)c1 with aldehyde.,COc1ccc([C@H](Cl)[C@]2(C)CCCO2)c(Br)c1,halo,aldehyde
148187,Please replace a halo in the molecule COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 with nitrile.,COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1,halo,nitrile
172876,Modify the molecule CCCn1ccnc1-c1nc(Cl)ncc1F by substituting a halo with hydroxyl.,CCCn1ccnc1-c1nc(Cl)ncc1F,halo,hydroxyl
120768,Modify the molecule CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 by substituting a nitrile with hydroxyl.,CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1,nitrile,hydroxyl
214121,Modify the molecule Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O by substituting a halo with nitrile.,Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O,halo,nitrile
17882,Replace a halo in the molecule C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)C[C@@H](C)O1 by aldehyde.,C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)C[C@@H](C)O1,halo,aldehyde
130775,Substitute a halo in the molecule C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 with hydroxyl.,C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,halo,hydroxyl
218420,Modify the molecule CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cccc(F)c12 by substituting a halo with thiol.,CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cccc(F)c12,halo,thiol
116951,Modify the molecule CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12 by substituting a nitro with hydroxyl.,CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12,nitro,hydroxyl
227901,Please replace a halo in the molecule O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)[N-]/N=C/c2ccccc2Cl)c1 with hydroxyl.,O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)[N-]/N=C/c2ccccc2Cl)c1,halo,hydroxyl
17488,Please replace a halo in the molecule CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1 with nitrile.,CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1,halo,nitrile
173624,Please substitute a halo in the molecule O=S(=O)(c1ccccc1Br)N1CCN(Cc2csc3ccccc23)CC1 by nitrile.,O=S(=O)(c1ccccc1Br)N1CCN(Cc2csc3ccccc23)CC1,halo,nitrile
137312,Replace a hydroxyl in the molecule COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O by thiol.,COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O,hydroxyl,thiol
243470,Replace a halo in the molecule C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)CC[C@H]1[NH3+] by nitro.,C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)CC[C@H]1[NH3+],halo,nitro
201255,Modify the molecule [NH3+]C[C@@]1([C@]2(O)CCC[C@@H](C3CC3)C2)CCOC1 by replacing a hydroxyl by thiol.,[NH3+]C[C@@]1([C@]2(O)CCC[C@@H](C3CC3)C2)CCOC1,hydroxyl,thiol
185203,Please substitute a halo in the molecule C[C@@H]([C@@H](C)O)n1cc(Br)cc([N+](=O)[O-])c1=O by hydroxyl.,C[C@@H]([C@@H](C)O)n1cc(Br)cc([N+](=O)[O-])c1=O,halo,hydroxyl
149333,Substitute a halo in the molecule Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 with carboxyl.,Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2,halo,carboxyl
137907,Please substitute a nitro in the molecule Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C by nitrile.,Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C,nitro,nitrile
94237,Please substitute a halo in the molecule O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 by nitro.,O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1,halo,nitro
135302,Modify the molecule CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)c1ccccc1 by replacing a halo by nitro.,CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)c1ccccc1,halo,nitro
248309,Substitute a halo in the molecule Cn1ncc2c(S[C@@H]3CCN(c4ccccc4F)C3=O)ncnc21 with thiol.,Cn1ncc2c(S[C@@H]3CCN(c4ccccc4F)C3=O)ncnc21,halo,thiol
15128,Please replace a hydroxyl in the molecule CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 with nitro.,CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1,hydroxyl,nitro
689,Please replace a nitrile in the molecule C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N with nitro.,C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N,nitrile,nitro
35774,Substitute a nitro in the molecule C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)Cc1ccccc1N1CCCCC1 with thiol.,C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)Cc1ccccc1N1CCCCC1,nitro,thiol
205644,Replace a halo in the molecule CCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 by thiol.,CCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1,halo,thiol
197575,Modify the molecule CCc1nn(C)cc1C(=O)NC[C@H](CC)CCO by substituting a hydroxyl with carboxyl.,CCc1nn(C)cc1C(=O)NC[C@H](CC)CCO,hydroxyl,carboxyl
94173,Modify the molecule C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H](C)O1 by replacing a halo by nitrile.,C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H](C)O1,halo,nitrile
202021,Please substitute a halo in the molecule CSc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1 by hydroxyl.,CSc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1,halo,hydroxyl
88614,Substitute a nitro in the molecule O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 with halo.,O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1,nitro,halo
96190,Please replace a halo in the molecule C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1 with nitrile.,C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1,halo,nitrile
127950,Please replace a halo in the molecule COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F with aldehyde.,COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F,halo,aldehyde
107116,Replace a halo in the molecule CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 by aldehyde.,CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1,halo,aldehyde
124822,Please substitute a halo in the molecule Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1 by thiol.,Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1,halo,thiol
30197,Please replace a halo in the molecule CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccc(F)cn2)no1 with thiol.,CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccc(F)cn2)no1,halo,thiol
23060,Modify the molecule O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21 by replacing a hydroxyl by carboxyl.,O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21,hydroxyl,carboxyl
124796,Modify the molecule C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1 by substituting a nitro with hydroxyl.,C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1,nitro,hydroxyl
5373,Modify the molecule SCC1(COC/C=C/c2ccccc2)CCC1 by substituting a thiol with nitro.,SCC1(COC/C=C/c2ccccc2)CCC1,thiol,nitro
69802,Substitute a nitro in the molecule O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 with aldehyde.,O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1,nitro,aldehyde
106391,Please replace a halo in the molecule COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 with nitro.,COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1,halo,nitro
166872,Modify the molecule CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C by replacing a halo by nitrile.,CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C,halo,nitrile
77734,Modify the molecule O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 by substituting a halo with aldehyde.,O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1,halo,aldehyde
202025,Substitute a nitrile in the molecule COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1F with aldehyde.,COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1F,nitrile,aldehyde
34028,Modify the molecule CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2F)CC1 by substituting a halo with nitrile.,CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2F)CC1,halo,nitrile
87173,Replace a halo in the molecule Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 by aldehyde.,Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1,halo,aldehyde
119205,Modify the molecule Cc1nc2sccc2c(=O)n1NC(=O)c1cccc(C(F)(F)F)c1 by substituting a halo with thiol.,Cc1nc2sccc2c(=O)n1NC(=O)c1cccc(C(F)(F)F)c1,halo,thiol
162653,Replace a halo in the molecule NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 by nitro.,NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1,halo,nitro
105626,Modify the molecule CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl by substituting a halo with hydroxyl.,CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl,halo,hydroxyl
63742,Substitute a halo in the molecule O=C(NCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F with thiol.,O=C(NCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F,halo,thiol
90268,Please replace a halo in the molecule CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 with nitrile.,CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2,halo,nitrile
145652,Substitute a halo in the molecule C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C#N)cc(Cl)n1 with carboxyl.,C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C#N)cc(Cl)n1,halo,carboxyl
100750,Replace a halo in the molecule CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O by nitrile.,CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O,halo,nitrile
46113,Modify the molecule O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1 by replacing a halo by nitro.,O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1,halo,nitro
230849,Modify the molecule CC(=O)Nc1cccc2c1CCN(CN1C(=O)C(=O)c3cccc(F)c31)C2 by replacing a halo by nitro.,CC(=O)Nc1cccc2c1CCN(CN1C(=O)C(=O)c3cccc(F)c31)C2,halo,nitro
154892,Modify the molecule Nc1c(C(=O)NNC(=O)c2ccco2)cnc2ccc(Cl)cc12 by replacing a halo by aldehyde.,Nc1c(C(=O)NNC(=O)c2ccco2)cnc2ccc(Cl)cc12,halo,aldehyde
145604,Modify the molecule CC1(C)CN(C(=O)C/C(N)=N/O)CCO1 by replacing a hydroxyl by thiol.,CC1(C)CN(C(=O)C/C(N)=N/O)CCO1,hydroxyl,thiol
219341,Modify the molecule COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1 by substituting a hydroxyl with aldehyde.,COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1,hydroxyl,aldehyde
78453,Modify the molecule CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(C(C)C)cc1 by substituting a hydroxyl with halo.,CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(C(C)C)cc1,hydroxyl,halo
190585,Modify the molecule COc1sc(C[NH+](C)CC(=O)Nc2cc(C)ccn2)cc1Br by replacing a halo by nitro.,COc1sc(C[NH+](C)CC(=O)Nc2cc(C)ccn2)cc1Br,halo,nitro
120950,Replace a nitrile in the molecule COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O by aldehyde.,COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O,nitrile,aldehyde
172123,Replace a halo in the molecule CCn1c(N/N=C/c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C by nitro.,CCn1c(N/N=C/c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C,halo,nitro
217289,Substitute a hydroxyl in the molecule CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C with nitrile.,CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,hydroxyl,nitrile
137122,Replace a hydroxyl in the molecule CC(C)N(CCO)c1ncnc2c1CCCCC2 by aldehyde.,CC(C)N(CCO)c1ncnc2c1CCCCC2,hydroxyl,aldehyde
185290,Modify the molecule Cc1ccnc2nc(C(=O)N3CCC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)nn12 by substituting a halo with thiol.,Cc1ccnc2nc(C(=O)N3CCC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)nn12,halo,thiol
205150,Modify the molecule O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1 by replacing a halo by hydroxyl.,O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1,halo,hydroxyl
80944,Modify the molecule COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1[N+](=O)[O-] by replacing a nitro by halo.,COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1[N+](=O)[O-],nitro,halo
13776,Please substitute a halo in the molecule CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 by carboxyl.,CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1,halo,carboxyl
5441,Substitute a halo in the molecule CCNC(=O)c1ccc(Cl)nn1 with aldehyde.,CCNC(=O)c1ccc(Cl)nn1,halo,aldehyde
104781,Please replace a hydroxyl in the molecule O[C@H]1[C@@H]2CC[C@@](O)(N2)[C@H](O)[C@@H]1O with thiol.,O[C@H]1[C@@H]2CC[C@@](O)(N2)[C@H](O)[C@@H]1O,hydroxyl,thiol
101293,Modify the molecule COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1F by substituting a halo with thiol.,COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1F,halo,thiol
126970,Modify the molecule Cc1cc(Br)c(C(=O)[C@]2(C)CCCO2)s1 by replacing a halo by nitro.,Cc1cc(Br)c(C(=O)[C@]2(C)CCCO2)s1,halo,nitro
2950,Please replace a hydroxyl in the molecule CCOCCCC(=O)N1CCN(CCO)CC1 with nitro.,CCOCCCC(=O)N1CCN(CCO)CC1,hydroxyl,nitro
35923,Substitute a halo in the molecule O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1 with nitrile.,O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1,halo,nitrile
219677,Replace a halo in the molecule O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1 by carboxyl.,O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1,halo,carboxyl
143954,Please replace a nitro in the molecule O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 with nitrile.,O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21,nitro,nitrile
136605,Substitute a halo in the molecule CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C with hydroxyl.,CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C,halo,hydroxyl
94536,Modify the molecule O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Br)cn1 by replacing a halo by carboxyl.,O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Br)cn1,halo,carboxyl
11119,Please replace a halo in the molecule C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](C)O1 with carboxyl.,C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](C)O1,halo,carboxyl
243458,Modify the molecule Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/c1sc2c(c1C#N)CCCC2 by replacing a hydroxyl by nitrile.,Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/c1sc2c(c1C#N)CCCC2,hydroxyl,nitrile
224130,Replace a halo in the molecule COc1ccc(C)nc1NC(=O)CCCc1cc(F)ccc1F by hydroxyl.,COc1ccc(C)nc1NC(=O)CCCc1cc(F)ccc1F,halo,hydroxyl
76279,Modify the molecule Cc1[nH]c2ccccc2c1C(=O)NCCc1c(F)cccc1F by replacing a halo by carboxyl.,Cc1[nH]c2ccccc2c1C(=O)NCCc1c(F)cccc1F,halo,carboxyl
229011,Modify the molecule COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1 by replacing a nitrile by carboxyl.,COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1,nitrile,carboxyl
203324,Modify the molecule C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1 by replacing a hydroxyl by nitrile.,C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1,hydroxyl,nitrile
128324,Substitute a halo in the molecule C[C@@H]1C[C@@H]([NH3+])CN(c2cccc(F)c2C(N)=O)C1 with nitrile.,C[C@@H]1C[C@@H]([NH3+])CN(c2cccc(F)c2C(N)=O)C1,halo,nitrile
20928,Please replace a halo in the molecule C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F with carboxyl.,C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F,halo,carboxyl
70165,Modify the molecule O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 by replacing a halo by nitro.,O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1,halo,nitro
6684,Modify the molecule O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2ncccn2)C1 by replacing a halo by aldehyde.,O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2ncccn2)C1,halo,aldehyde
32282,Modify the molecule Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12 by substituting a halo with aldehyde.,Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12,halo,aldehyde
73611,Please substitute a halo in the molecule Cc1nc2cc(Cl)ccc2cc1N by nitrile.,Cc1nc2cc(Cl)ccc2cc1N,halo,nitrile
234832,Please substitute a nitro in the molecule O=[N+]([O-])c1c(NCCc2cccc3cccnc23)ccc2ncccc12 by thiol.,O=[N+]([O-])c1c(NCCc2cccc3cccnc23)ccc2ncccc12,nitro,thiol
176024,Modify the molecule C[C@H](Nc1cccc2ncccc12)c1ccc(Cl)s1 by replacing a halo by nitro.,C[C@H](Nc1cccc2ncccc12)c1ccc(Cl)s1,halo,nitro
217298,Substitute a halo in the molecule Cc1cc(F)ccc1-c1cnc(Br)cn1 with hydroxyl.,Cc1cc(F)ccc1-c1cnc(Br)cn1,halo,hydroxyl
94210,Modify the molecule CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 by replacing a halo by hydroxyl.,CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1,halo,hydroxyl
208572,Please substitute a hydroxyl in the molecule CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1 by nitro.,CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1,hydroxyl,nitro
234636,Please replace a nitro in the molecule C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1C with thiol.,C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1C,nitro,thiol
31450,Modify the molecule CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 by substituting a halo with hydroxyl.,CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,halo,hydroxyl
4039,Please substitute a halo in the molecule O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F by hydroxyl.,O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F,halo,hydroxyl
105313,Replace a halo in the molecule COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 by nitrile.,COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1,halo,nitrile
118111,Substitute a halo in the molecule Brc1ccccc1[C@@H]1CN(Cc2ccon2)CCO1 with nitrile.,Brc1ccccc1[C@@H]1CN(Cc2ccon2)CCO1,halo,nitrile
115394,Please substitute a halo in the molecule Cc1ccc([C@@H](C)N[C@H]2CC[NH+](C3CC3)C2)cc1F by aldehyde.,Cc1ccc([C@@H](C)N[C@H]2CC[NH+](C3CC3)C2)cc1F,halo,aldehyde
26613,Modify the molecule Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c(C)c1 by replacing a hydroxyl by nitrile.,Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c(C)c1,hydroxyl,nitrile
60353,Modify the molecule CCCn1ncnc1C[C@@H]([NH2+]CC)c1c(F)cccc1F by substituting a halo with aldehyde.,CCCn1ncnc1C[C@@H]([NH2+]CC)c1c(F)cccc1F,halo,aldehyde
46654,Replace a halo in the molecule COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 by carboxyl.,COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1,halo,carboxyl
102946,Replace a hydroxyl in the molecule CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 by aldehyde.,CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1,hydroxyl,aldehyde
99788,Modify the molecule O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc2sccc2c1 by substituting a hydroxyl with halo.,O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc2sccc2c1,hydroxyl,halo
42914,Modify the molecule COc1cccc([C@@H](CO)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1 by replacing a hydroxyl by thiol.,COc1cccc([C@@H](CO)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1,hydroxyl,thiol
171519,Please substitute a hydroxyl in the molecule O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(CCO)CC1 by thiol.,O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(CCO)CC1,hydroxyl,thiol
36277,Please replace a halo in the molecule Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F with hydroxyl.,Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F,halo,hydroxyl
146332,Modify the molecule [NH3+][C@@H](CCc1ccccc1)Cc1ccc(O)cc1 by substituting a hydroxyl with halo.,[NH3+][C@@H](CCc1ccccc1)Cc1ccc(O)cc1,hydroxyl,halo
203410,Substitute a nitrile in the molecule N#Cc1ccc(CNc2ccccc2[NH+]2CCC(O)CC2)cc1 with hydroxyl.,N#Cc1ccc(CNc2ccccc2[NH+]2CCC(O)CC2)cc1,nitrile,hydroxyl
142155,Modify the molecule Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)n1 by replacing a halo by thiol.,Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)n1,halo,thiol
119071,Please replace a halo in the molecule CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 with nitro.,CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1,halo,nitro
120778,Please substitute a nitrile in the molecule C[C@H](C#N)[C@@]1(O)CCCC1(C)C by halo.,C[C@H](C#N)[C@@]1(O)CCCC1(C)C,nitrile,halo
51927,Modify the molecule Nc1cc(C(=O)[O-])c(-c2ccc(F)cc2O)cn1 by replacing a hydroxyl by carboxyl.,Nc1cc(C(=O)[O-])c(-c2ccc(F)cc2O)cn1,hydroxyl,carboxyl
241798,Please substitute a halo in the molecule CCC[C@@H](C[NH3+])[C@H](O)c1ccc(C)cc1F by carboxyl.,CCC[C@@H](C[NH3+])[C@H](O)c1ccc(C)cc1F,halo,carboxyl
189305,Replace a halo in the molecule N/C(CC(=O)Nc1ccc(Cl)cc1)=N\OC(=O)c1ccc(C(F)(F)F)cc1 by thiol.,N/C(CC(=O)Nc1ccc(Cl)cc1)=N\OC(=O)c1ccc(C(F)(F)F)cc1,halo,thiol
45858,Replace a nitro in the molecule Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H]1C=CCC1 by aldehyde.,Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H]1C=CCC1,nitro,aldehyde
213823,Modify the molecule CC[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1F by substituting a halo with aldehyde.,CC[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1F,halo,aldehyde
64621,Please replace a halo in the molecule Fc1ccc([C@@H](Cl)[C@@H]2COc3ccccc3O2)cc1Br with thiol.,Fc1ccc([C@@H](Cl)[C@@H]2COc3ccccc3O2)cc1Br,halo,thiol
13834,Modify the molecule COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1 by replacing a halo by carboxyl.,COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1,halo,carboxyl
248878,Please replace a halo in the molecule CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F with nitrile.,CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F,halo,nitrile
41515,Substitute a halo in the molecule COc1ccc(F)c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 with nitro.,COc1ccc(F)c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1,halo,nitro
914,Substitute a halo in the molecule Cn1cnn(C[NH+](Cc2ccc(F)cc2)C2CC2)c1=S with thiol.,Cn1cnn(C[NH+](Cc2ccc(F)cc2)C2CC2)c1=S,halo,thiol
184575,Substitute a hydroxyl in the molecule CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1 with nitrile.,CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1,hydroxyl,nitrile
25241,Please substitute a halo in the molecule CN(CCc1ccncc1)c1cnn(C)c(=O)c1Br by hydroxyl.,CN(CCc1ccncc1)c1cnn(C)c(=O)c1Br,halo,hydroxyl
134166,Please substitute a hydroxyl in the molecule CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C[C@H](O)[C@H](O)C2)C1 by carboxyl.,CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C[C@H](O)[C@H](O)C2)C1,hydroxyl,carboxyl
41451,Modify the molecule CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O by substituting a halo with nitrile.,CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O,halo,nitrile
1158,Please substitute a hydroxyl in the molecule CC(C)[NH+]1CCC(N2CCN(CC3=c4ccccc4=[NH+]C3)C[C@@H]2CCO)CC1 by nitro.,CC(C)[NH+]1CCC(N2CCN(CC3=c4ccccc4=[NH+]C3)C[C@@H]2CCO)CC1,hydroxyl,nitro
91469,Please replace a halo in the molecule C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O with nitro.,C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O,halo,nitro
56732,Modify the molecule O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 by substituting a hydroxyl with nitro.,O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1,hydroxyl,nitro
201673,Modify the molecule O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)N[C@@H]1CCCc2ccccc21 by replacing a hydroxyl by halo.,O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)N[C@@H]1CCCc2ccccc21,hydroxyl,halo
108575,Modify the molecule CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1c1ccc(F)cc1 by substituting a halo with hydroxyl.,CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1c1ccc(F)cc1,halo,hydroxyl
37960,Substitute a halo in the molecule CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 with aldehyde.,CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1,halo,aldehyde
244580,Replace a halo in the molecule Brc1cnc2n1CCCC2 by hydroxyl.,Brc1cnc2n1CCCC2,halo,hydroxyl
116280,Substitute a halo in the molecule CCCCCNc1cc(-n2cnnn2)ccc1F with nitro.,CCCCCNc1cc(-n2cnnn2)ccc1F,halo,nitro
243956,Please replace a halo in the molecule Fc1cccc2[nH]c(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)nc12 with thiol.,Fc1cccc2[nH]c(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)nc12,halo,thiol
233051,Please substitute a halo in the molecule COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(Cl)c1 by carboxyl.,COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(Cl)c1,halo,carboxyl
12956,Replace a hydroxyl in the molecule Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C by aldehyde.,Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C,hydroxyl,aldehyde
179410,Replace a halo in the molecule C[S@](=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 by carboxyl.,C[S@](=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1,halo,carboxyl
134167,Please substitute a halo in the molecule C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1 by aldehyde.,C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1,halo,aldehyde
31377,Please replace a hydroxyl in the molecule O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCO with halo.,O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCO,hydroxyl,halo
96267,Please substitute a nitro in the molecule CCC[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])c(N)c2)CC1 by hydroxyl.,CCC[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])c(N)c2)CC1,nitro,hydroxyl
241685,Modify the molecule CCCCN(CCCO)c1ncc(C)c(C)n1 by substituting a hydroxyl with nitro.,CCCCN(CCCO)c1ncc(C)c(C)n1,hydroxyl,nitro
202224,Modify the molecule O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 by substituting a halo with nitrile.,O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1,halo,nitrile
126634,Please substitute a hydroxyl in the molecule C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2 by halo.,C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2,hydroxyl,halo
46291,Please replace a hydroxyl in the molecule COCCN1CCC[C@](O)(CN2CCN(c3[nH+]cccc3C)CC2)C1=O with halo.,COCCN1CCC[C@](O)(CN2CCN(c3[nH+]cccc3C)CC2)C1=O,hydroxyl,halo
117468,Modify the molecule CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N by substituting a halo with thiol.,CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N,halo,thiol
216294,Modify the molecule O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc2c(c1)OCO2 by substituting a hydroxyl with nitrile.,O=C(N[C@@H]1C[C@@H](O)[C@@H](CO)C1)c1ccc2c(c1)OCO2,hydroxyl,nitrile
51731,Please replace a halo in the molecule COc1cc(NC(=O)c2cc3c(F)cccc3s2)c(OC)cc1Cl with thiol.,COc1cc(NC(=O)c2cc3c(F)cccc3s2)c(OC)cc1Cl,halo,thiol
98424,Replace a nitrile in the molecule Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 by aldehyde.,Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1,nitrile,aldehyde
53515,Please replace a halo in the molecule CCN1CCO[C@@H](COc2ccc(Br)c(F)c2)C1 with carboxyl.,CCN1CCO[C@@H](COc2ccc(Br)c(F)c2)C1,halo,carboxyl
8127,Modify the molecule COc1cc(CNc2ccc(C)cc2OC)c([N+](=O)[O-])cc1O by replacing a hydroxyl by aldehyde.,COc1cc(CNc2ccc(C)cc2OC)c([N+](=O)[O-])cc1O,hydroxyl,aldehyde
90652,Please replace a halo in the molecule CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 with carboxyl.,CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3ccc(F)cc32)C1,halo,carboxyl
54343,Please substitute a halo in the molecule CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1 by nitro.,CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1,halo,nitro
128374,Modify the molecule COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 by replacing a hydroxyl by nitro.,COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1,hydroxyl,nitro
26348,Modify the molecule CCc1cccc(NC(=O)c2cc(Br)ccc2F)c1 by substituting a halo with nitrile.,CCc1cccc(NC(=O)c2cc(Br)ccc2F)c1,halo,nitrile
189082,Please substitute a hydroxyl in the molecule Cc1ccc(C(=O)NO[C@H]2CCCCO2)c(O)c1 by halo.,Cc1ccc(C(=O)NO[C@H]2CCCCO2)c(O)c1,hydroxyl,halo
58407,Please substitute a nitro in the molecule Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 by carboxyl.,Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1,nitro,carboxyl
169068,Modify the molecule Nc1nc2c[nH+]ccc2n1Cc1cc(Br)cs1 by substituting a halo with carboxyl.,Nc1nc2c[nH+]ccc2n1Cc1cc(Br)cs1,halo,carboxyl
2181,Please replace a hydroxyl in the molecule Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCCO3)N=[NH+]1 with nitro.,Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCCO3)N=[NH+]1,hydroxyl,nitro
110142,Substitute a nitro in the molecule Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C1 with halo.,Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C1,nitro,halo
192040,Replace a halo in the molecule COc1cc(NC(=O)CCN2[C@@H](C)COC[C@@H]2C)c(OC)cc1Cl by carboxyl.,COc1cc(NC(=O)CCN2[C@@H](C)COC[C@@H]2C)c(OC)cc1Cl,halo,carboxyl
133509,Replace a nitrile in the molecule CC[NH+]1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1 by nitro.,CC[NH+]1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1,nitrile,nitro
145713,Replace a halo in the molecule Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1F by nitro.,Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1F,halo,nitro
153867,Substitute a halo in the molecule CCN1C(=O)[C@](C)(C(=O)Nc2ccc(F)cc2)Sc2ccccc21 with thiol.,CCN1C(=O)[C@](C)(C(=O)Nc2ccc(F)cc2)Sc2ccccc21,halo,thiol
32503,Modify the molecule C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O by replacing a halo by nitrile.,C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O,halo,nitrile
194925,Replace a hydroxyl in the molecule CCS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1 by halo.,CCS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1,hydroxyl,halo
55764,Please substitute a halo in the molecule OCc1ccc(Oc2ncc(Br)cn2)cc1 by carboxyl.,OCc1ccc(Oc2ncc(Br)cn2)cc1,halo,carboxyl
234281,Modify the molecule O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCn1nc(-c2cccs2)ccc1=O by substituting a halo with nitrile.,O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCn1nc(-c2cccs2)ccc1=O,halo,nitrile
182054,Modify the molecule CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 by substituting a hydroxyl with thiol.,CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1,hydroxyl,thiol
128178,Please replace a halo in the molecule Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl with thiol.,Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl,halo,thiol
146115,Replace a hydroxyl in the molecule COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O by halo.,COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O,hydroxyl,halo
68158,Substitute a halo in the molecule CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C(/C)c2ccc(F)cc2)cc1 with nitro.,CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C(/C)c2ccc(F)cc2)cc1,halo,nitro
51054,Substitute a halo in the molecule O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 with aldehyde.,O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1,halo,aldehyde
29747,Replace a halo in the molecule Cc1csc([C@H](C)NC(=O)c2cccc(Br)n2)n1 by aldehyde.,Cc1csc([C@H](C)NC(=O)c2cccc(Br)n2)n1,halo,aldehyde
81309,Please replace a nitrile in the molecule Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1 with thiol.,Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1,nitrile,thiol
9910,Please replace a halo in the molecule CCOC(=O)[C@H]1CCCN(c2nncc(-c3cccc(F)c3)n2)C1 with hydroxyl.,CCOC(=O)[C@H]1CCCN(c2nncc(-c3cccc(F)c3)n2)C1,halo,hydroxyl
51874,Please replace a nitrile in the molecule C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 with halo.,C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1,nitrile,halo
239551,Please substitute a hydroxyl in the molecule COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 by nitrile.,COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1,hydroxyl,nitrile
175233,Modify the molecule CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 by substituting a hydroxyl with thiol.,CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1,hydroxyl,thiol
149520,Modify the molecule COc1ccc(/C=C2/N=C(c3ccc(OC)c(Br)c3)OC2=O)c(OC)c1 by replacing a halo by hydroxyl.,COc1ccc(/C=C2/N=C(c3ccc(OC)c(Br)c3)OC2=O)c(OC)c1,halo,hydroxyl
174312,Substitute a halo in the molecule N/C(=N/O)c1ccc(Sc2cccc(F)c2)c(F)c1 with aldehyde.,N/C(=N/O)c1ccc(Sc2cccc(F)c2)c(F)c1,halo,aldehyde
102089,Substitute a halo in the molecule N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1CCC2 with nitrile.,N#Cc1c(NC(=O)c2cc(F)ccc2Br)sc2c1CCC2,halo,nitrile
72997,Please replace a hydroxyl in the molecule CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1O with nitro.,CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1O,hydroxyl,nitro
110809,Please substitute a halo in the molecule COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1cc2c(cc1Br)OCO2 by hydroxyl.,COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1cc2c(cc1Br)OCO2,halo,hydroxyl
123040,Modify the molecule CC1(C)CC(/C=C/c2cccc([N+](=O)[O-])c2)=Nc2ccccc2N1 by substituting a nitro with aldehyde.,CC1(C)CC(/C=C/c2cccc([N+](=O)[O-])c2)=Nc2ccccc2N1,nitro,aldehyde
109675,Replace a halo in the molecule CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1 by nitro.,CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1,halo,nitro
104079,Substitute a halo in the molecule COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1F with nitro.,COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1F,halo,nitro
67141,Please substitute a halo in the molecule C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 by carboxyl.,C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1,halo,carboxyl
11092,Replace a halo in the molecule Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)c2cccnc12 by hydroxyl.,Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)c2cccnc12,halo,hydroxyl
84860,Please substitute a halo in the molecule CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl by hydroxyl.,CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl,halo,hydroxyl
21311,Replace a halo in the molecule COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 by carboxyl.,COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1,halo,carboxyl
192023,Modify the molecule CCOc1ccccc1OCCN(C)CC#N by replacing a nitrile by nitro.,CCOc1ccccc1OCCN(C)CC#N,nitrile,nitro
6173,Please replace a nitro in the molecule Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 with carboxyl.,Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1,nitro,carboxyl
7504,Substitute a nitro in the molecule Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 with halo.,Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,nitro,halo
115570,Please substitute a nitrile in the molecule C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N by carboxyl.,C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N,nitrile,carboxyl
174400,Substitute a halo in the molecule O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1 with hydroxyl.,O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1,halo,hydroxyl
72431,Replace a hydroxyl in the molecule CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1 by aldehyde.,CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1,hydroxyl,aldehyde
57453,Modify the molecule COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 by replacing a nitro by thiol.,COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1,nitro,thiol
137088,Modify the molecule CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 by replacing a nitrile by halo.,CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1,nitrile,halo
23245,Modify the molecule C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C by substituting a halo with carboxyl.,C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C,halo,carboxyl
134358,Modify the molecule O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1 by replacing a halo by nitro.,O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1,halo,nitro
68644,Modify the molecule CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 by replacing a halo by thiol.,CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1,halo,thiol
11063,Substitute a halo in the molecule COCCN(c1nc(Cl)ncc1C)[C@H](C)COC with thiol.,COCCN(c1nc(Cl)ncc1C)[C@H](C)COC,halo,thiol
197255,Please substitute a nitro in the molecule CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC by halo.,CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC,nitro,halo
242299,Modify the molecule CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 by substituting a nitro with halo.,CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1,nitro,halo
54307,Please substitute a nitrile in the molecule CC1(C)CC[NH+]([C@@H]2CCCC[C@@H]2C#N)C1 by nitro.,CC1(C)CC[NH+]([C@@H]2CCCC[C@@H]2C#N)C1,nitrile,nitro
68399,Replace a hydroxyl in the molecule CCCCCC[C@H](O)c1cscc1C by carboxyl.,CCCCCC[C@H](O)c1cscc1C,hydroxyl,carboxyl
34097,Please substitute a nitrile in the molecule Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1 by halo.,Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1,nitrile,halo
153664,Replace a hydroxyl in the molecule CCOC(OCC)[C@@H](O)Cc1ccccn1 by nitro.,CCOC(OCC)[C@@H](O)Cc1ccccn1,hydroxyl,nitro
146887,Please substitute a hydroxyl in the molecule Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(C)(=O)=O)CC2)c1 by halo.,Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(C)(=O)=O)CC2)c1,hydroxyl,halo
145834,Please replace a hydroxyl in the molecule CN(Cc1ccccc1O)C(=O)c1cnc([C@H]2CCCO2)s1 with thiol.,CN(Cc1ccccc1O)C(=O)c1cnc([C@H]2CCCO2)s1,hydroxyl,thiol
9370,Please replace a hydroxyl in the molecule Cc1cccc(-n2c([S-])nnc2-c2ccccc2O)c1C with nitrile.,Cc1cccc(-n2c([S-])nnc2-c2ccccc2O)c1C,hydroxyl,nitrile
248804,Please substitute a halo in the molecule C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)c1ccccc1 by nitrile.,C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)c1ccccc1,halo,nitrile
99976,Please replace a hydroxyl in the molecule CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1 with nitro.,CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1,hydroxyl,nitro
238823,Substitute a halo in the molecule COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1 with thiol.,COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1,halo,thiol
55321,Modify the molecule COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1 by substituting a halo with nitrile.,COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1,halo,nitrile
188577,Modify the molecule O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F by replacing a halo by thiol.,O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F,halo,thiol
226655,Modify the molecule CC[NH2+][C@@H](c1cc(F)ccc1Br)[C@H](C)c1ccccn1 by replacing a halo by hydroxyl.,CC[NH2+][C@@H](c1cc(F)ccc1Br)[C@H](C)c1ccccn1,halo,hydroxyl
93962,Modify the molecule COCC[NH+]1CC[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 by replacing a halo by hydroxyl.,COCC[NH+]1CC[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1,halo,hydroxyl
44131,Modify the molecule Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1 by replacing a halo by thiol.,Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1,halo,thiol
20740,Modify the molecule Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C by substituting a nitro with halo.,Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C,nitro,halo
249284,Please replace a halo in the molecule CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C with nitrile.,CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C,halo,nitrile
18468,Please replace a hydroxyl in the molecule COc1cc(C(=O)/C=C/c2ccccc2C)ccc1O with carboxyl.,COc1cc(C(=O)/C=C/c2ccccc2C)ccc1O,hydroxyl,carboxyl
208113,Modify the molecule O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1 by replacing a halo by nitrile.,O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1,halo,nitrile
28785,Modify the molecule COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 by replacing a hydroxyl by nitro.,COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1,hydroxyl,nitro
64147,Please replace a halo in the molecule Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 with carboxyl.,Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1,halo,carboxyl
97261,Please substitute a hydroxyl in the molecule C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO by nitro.,C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO,hydroxyl,nitro
240659,Modify the molecule Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1 by replacing a halo by aldehyde.,Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1,halo,aldehyde
35150,Modify the molecule C[C@@](O)(Cc1cccc(O)c1)C1CC1 by substituting a hydroxyl with nitrile.,C[C@@](O)(Cc1cccc(O)c1)C1CC1,hydroxyl,nitrile
53043,Substitute a halo in the molecule Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 with nitro.,Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1,halo,nitro
62185,Substitute a halo in the molecule COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(C)(C)C with nitro.,COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(C)(C)C,halo,nitro
169496,Modify the molecule N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F by replacing a nitrile by nitro.,N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F,nitrile,nitro
32406,Please substitute a halo in the molecule COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F by nitrile.,COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F,halo,nitrile
36841,Please substitute a nitro in the molecule N#Cc1cc(F)cc(-c2nc(N)ccc2[N+](=O)[O-])c1 by carboxyl.,N#Cc1cc(F)cc(-c2nc(N)ccc2[N+](=O)[O-])c1,nitro,carboxyl
156,Modify the molecule O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1 by substituting a halo with aldehyde.,O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1,halo,aldehyde
141861,Please replace a halo in the molecule O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 with aldehyde.,O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1,halo,aldehyde
4149,Modify the molecule Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 by substituting a nitrile with halo.,Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1,nitrile,halo
139047,Please substitute a halo in the molecule O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1 by nitrile.,O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1,halo,nitrile
125189,Replace a halo in the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 by nitrile.,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1,halo,nitrile
176201,Please replace a halo in the molecule CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl with thiol.,CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl,halo,thiol
138413,Please substitute a halo in the molecule O=C1COCC(=O)N1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 by nitro.,O=C1COCC(=O)N1Cc1nnc(-c2ccc(Cl)cc2Cl)o1,halo,nitro
196502,Please substitute a halo in the molecule CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 by carboxyl.,CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1,halo,carboxyl
19335,Replace a halo in the molecule O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 by carboxyl.,O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1,halo,carboxyl
71476,Please substitute a halo in the molecule O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)c[nH]1 by nitro.,O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)c[nH]1,halo,nitro
69078,Substitute a halo in the molecule Cc1cc([C@@H]2[NH+]=C(C(C)C)N(C3CC3)C2=[NH2+])ccc1Br with aldehyde.,Cc1cc([C@@H]2[NH+]=C(C(C)C)N(C3CC3)C2=[NH2+])ccc1Br,halo,aldehyde
104558,Modify the molecule Cc1nnnn1-c1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1F by substituting a halo with thiol.,Cc1nnnn1-c1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1F,halo,thiol
244972,Modify the molecule Clc1ccccc1C#CCN1CCOC[C@@H]1C1CC1 by substituting a halo with aldehyde.,Clc1ccccc1C#CCN1CCOC[C@@H]1C1CC1,halo,aldehyde
135609,Modify the molecule CC(C)=NNC(=O)Nc1ccc(C)c(Cl)c1 by replacing a halo by aldehyde.,CC(C)=NNC(=O)Nc1ccc(C)c(Cl)c1,halo,aldehyde
189427,Replace a halo in the molecule CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 by nitrile.,CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1,halo,nitrile
47088,Modify the molecule COc1cc2c(cc1Cl)[C@H](C)[C@H](CC(=O)NC1[NH+]=c3ccccc3=[NH+]1)C(=O)O2 by substituting a halo with nitrile.,COc1cc2c(cc1Cl)[C@H](C)[C@H](CC(=O)NC1[NH+]=c3ccccc3=[NH+]1)C(=O)O2,halo,nitrile
70066,Substitute a nitro in the molecule CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 with carboxyl.,CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1,nitro,carboxyl
103319,Modify the molecule COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCCCC2)cc1OC by substituting a nitrile with carboxyl.,COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCCCC2)cc1OC,nitrile,carboxyl
141941,Substitute a halo in the molecule C[C@H]1CCC[C@H](C)N1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 with nitrile.,C[C@H]1CCC[C@H](C)N1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1,halo,nitrile
26668,Please replace a halo in the molecule O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Br)cc1 with aldehyde.,O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Br)cc1,halo,aldehyde
37072,Substitute a halo in the molecule CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccccc2Br)C1 with carboxyl.,CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccccc2Br)C1,halo,carboxyl
154957,Modify the molecule N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 by replacing a hydroxyl by thiol.,N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1,hydroxyl,thiol
232206,Substitute a nitro in the molecule CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 with aldehyde.,CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1,nitro,aldehyde
27345,Substitute a halo in the molecule Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 with aldehyde.,Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3,halo,aldehyde
133413,Modify the molecule O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCCO2 by replacing a halo by nitro.,O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCCO2,halo,nitro
165395,Please replace a nitrile in the molecule N#C/C(=C1/SC[C@@H]([C@H]2CC=CC=C2Cl)S1)n1ccnc1 with thiol.,N#C/C(=C1/SC[C@@H]([C@H]2CC=CC=C2Cl)S1)n1ccnc1,nitrile,thiol
161305,Please substitute a halo in the molecule C[NH+](C)CCNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O by nitro.,C[NH+](C)CCNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O,halo,nitro
66238,Modify the molecule O=S(=O)([N-]c1nnc(C2CC2)s1)c1c(Cl)cccc1Cl by substituting a halo with nitro.,O=S(=O)([N-]c1nnc(C2CC2)s1)c1c(Cl)cccc1Cl,halo,nitro
230778,Replace a halo in the molecule CN(Cc1ccc(C[NH3+])cn1)c1ccc(F)cc1 by thiol.,CN(Cc1ccc(C[NH3+])cn1)c1ccc(F)cc1,halo,thiol
112539,Replace a halo in the molecule COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 by nitro.,COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3Cl)C[C@H]21,halo,nitro
229021,Please substitute a halo in the molecule CCOc1ccc(Nc2scc(-c3ccc(Cl)cc3)[n+]2N2CCOCC2)cc1 by thiol.,CCOc1ccc(Nc2scc(-c3ccc(Cl)cc3)[n+]2N2CCOCC2)cc1,halo,thiol
205973,Substitute a hydroxyl in the molecule CN(C[C@@H](O)CN1CCOCC1)C(=O)c1nccc2ccccc12 with thiol.,CN(C[C@@H](O)CN1CCOCC1)C(=O)c1nccc2ccccc12,hydroxyl,thiol
24264,Modify the molecule CSc1ccc(C(=O)Oc2ccccc2F)cn1 by substituting a halo with hydroxyl.,CSc1ccc(C(=O)Oc2ccccc2F)cn1,halo,hydroxyl
216113,Please replace a halo in the molecule CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 with aldehyde.,CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1,halo,aldehyde
221792,Replace a nitrile in the molecule N#Cc1c(NC(=O)CCCc2nc(-c3ccccc3)no2)sc2c1CCCC2 by nitro.,N#Cc1c(NC(=O)CCCc2nc(-c3ccccc3)no2)sc2c1CCCC2,nitrile,nitro
76887,Replace a halo in the molecule Nc1cccc(Br)c1CO by carboxyl.,Nc1cccc(Br)c1CO,halo,carboxyl
39784,Please replace a halo in the molecule Cc1nc(-c2cncc(Br)c2)nc(NN)c1F with nitrile.,Cc1nc(-c2cncc(Br)c2)nc(NN)c1F,halo,nitrile
31995,Please substitute a halo in the molecule O=C(Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1)c1ccccc1Cl by thiol.,O=C(Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1)c1ccccc1Cl,halo,thiol
163756,Substitute a hydroxyl in the molecule C[C@@H]1CCC[C@H](NC(=O)C/C(N)=N/O)C1 with aldehyde.,C[C@@H]1CCC[C@H](NC(=O)C/C(N)=N/O)C1,hydroxyl,aldehyde
73619,Please substitute a halo in the molecule CC1(C(=O)N2CCCC[C@@H]2CCCl)CCCC1 by hydroxyl.,CC1(C(=O)N2CCCC[C@@H]2CCCl)CCCC1,halo,hydroxyl
10200,Please replace a halo in the molecule N#Cc1ccc(F)c(CN[C@H]2CCOc3c(Cl)cccc32)c1 with nitro.,N#Cc1ccc(F)c(CN[C@H]2CCOc3c(Cl)cccc32)c1,halo,nitro
239860,Modify the molecule Cc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H](CCO)C2)cc1 by replacing a hydroxyl by halo.,Cc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H](CCO)C2)cc1,hydroxyl,halo
203537,Replace a halo in the molecule O=C(CNC(=O)c1cccc(Br)n1)Nc1ccc(F)cc1 by thiol.,O=C(CNC(=O)c1cccc(Br)n1)Nc1ccc(F)cc1,halo,thiol
135735,Please substitute a halo in the molecule COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1 by carboxyl.,COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1,halo,carboxyl
107037,Please substitute a hydroxyl in the molecule CC(C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 by nitro.,CC(C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1,hydroxyl,nitro
152614,Substitute a halo in the molecule CN(Cc1cccc(NN)[nH+]1)Cc1cc(Br)cs1 with thiol.,CN(Cc1cccc(NN)[nH+]1)Cc1cc(Br)cs1,halo,thiol
171605,Please replace a halo in the molecule O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1 with hydroxyl.,O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1,halo,hydroxyl
134217,Substitute a halo in the molecule CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 with thiol.,CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1,halo,thiol
4926,Substitute a halo in the molecule CNC(=O)NC(=O)COc1ccc(C#N)cc1Cl with nitro.,CNC(=O)NC(=O)COc1ccc(C#N)cc1Cl,halo,nitro
66404,Please substitute a halo in the molecule C=C(C)n1c(=O)n(C[C@@H]2CC2(Cl)Cl)c2cc(C)c(C)cc21 by thiol.,C=C(C)n1c(=O)n(C[C@@H]2CC2(Cl)Cl)c2cc(C)c(C)cc21,halo,thiol
70040,Please replace a halo in the molecule C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1C(F)(F)F with aldehyde.,C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1C(F)(F)F,halo,aldehyde
241353,Modify the molecule O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1 by substituting a halo with aldehyde.,O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1,halo,aldehyde
191679,Substitute a halo in the molecule COC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1 with nitrile.,COC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1,halo,nitrile
50985,Please substitute a halo in the molecule C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 by hydroxyl.,C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1,halo,hydroxyl
174856,Please replace a halo in the molecule Fc1cc(Br)cc(CO[C@@H]2CC[NH2+]C2)c1 with hydroxyl.,Fc1cc(Br)cc(CO[C@@H]2CC[NH2+]C2)c1,halo,hydroxyl
88902,Please substitute a halo in the molecule O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 by nitro.,O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1,halo,nitro
157145,Please substitute a halo in the molecule CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 by nitro.,CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1,halo,nitro
92419,Replace a halo in the molecule Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 by hydroxyl.,Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1,halo,hydroxyl
157131,Modify the molecule CC(=O)Nc1ccc(F)c(NC(=O)c2c(C)nn(C)c2C)c1 by replacing a halo by carboxyl.,CC(=O)Nc1ccc(F)c(NC(=O)c2c(C)nn(C)c2C)c1,halo,carboxyl
189602,Substitute a halo in the molecule CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1 with aldehyde.,CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1,halo,aldehyde
118564,Modify the molecule NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 by substituting a halo with hydroxyl.,NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1,halo,hydroxyl
102111,Substitute a halo in the molecule O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 with nitrile.,O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2,halo,nitrile
14580,Replace a halo in the molecule NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1 by nitro.,NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1,halo,nitro
146371,Substitute a halo in the molecule COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)cc1 with thiol.,COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)cc1,halo,thiol
160103,Modify the molecule O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1 by substituting a halo with nitro.,O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1,halo,nitro
27304,Please substitute a nitro in the molecule CCC(=O)Oc1cccc([N+](=O)[O-])c1C by aldehyde.,CCC(=O)Oc1cccc([N+](=O)[O-])c1C,nitro,aldehyde
134049,Please substitute a hydroxyl in the molecule Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 by carboxyl.,Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1,hydroxyl,carboxyl
102367,Please replace a halo in the molecule COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 with carboxyl.,COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1,halo,carboxyl
198222,Modify the molecule CNc1ncc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 by replacing a halo by aldehyde.,CNc1ncc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1,halo,aldehyde
135560,Please substitute a halo in the molecule O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 by thiol.,O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1,halo,thiol
215769,Modify the molecule CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCOCC2)C(C)(C)O1 by substituting a hydroxyl with nitrile.,CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCOCC2)C(C)(C)O1,hydroxyl,nitrile
187453,Please substitute a nitrile in the molecule N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 by thiol.,N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1,nitrile,thiol
62202,Modify the molecule O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OCCCO2 by substituting a halo with aldehyde.,O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OCCCO2,halo,aldehyde
141396,Please replace a nitro in the molecule O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 with thiol.,O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1,nitro,thiol
88851,Please substitute a hydroxyl in the molecule OCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1 by thiol.,OCc1nc2ccc(-c3ccc4c(c3)OCCO4)cc2[nH]1,hydroxyl,thiol
229563,Please replace a halo in the molecule C=C(C)Cc1ccccc1Br with nitro.,C=C(C)Cc1ccccc1Br,halo,nitro
30265,Please replace a halo in the molecule CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 with aldehyde.,CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1,halo,aldehyde
134755,Please substitute a nitrile in the molecule CN(C(=O)c1ccc(C#N)cc1)C1Cc2ccccc2C1 by halo.,CN(C(=O)c1ccc(C#N)cc1)C1Cc2ccccc2C1,nitrile,halo
3017,Modify the molecule O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12 by replacing a halo by carboxyl.,O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12,halo,carboxyl
186994,Please replace a halo in the molecule O=C1CCC[C@H]1[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1Cl with nitrile.,O=C1CCC[C@H]1[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1Cl,halo,nitrile
193537,Substitute a halo in the molecule COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F with nitrile.,COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F,halo,nitrile
67061,Please substitute a hydroxyl in the molecule CC#CC[C@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1 by halo.,CC#CC[C@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1,hydroxyl,halo
127965,Please substitute a hydroxyl in the molecule C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 by nitrile.,C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1,hydroxyl,nitrile
246395,Modify the molecule CC(C)[C@@H](O)[C@@H](C)c1cccc(F)c1 by replacing a hydroxyl by nitro.,CC(C)[C@@H](O)[C@@H](C)c1cccc(F)c1,hydroxyl,nitro
79240,Please replace a halo in the molecule CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 with hydroxyl.,CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1,halo,hydroxyl
207735,Substitute a halo in the molecule CC[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 with thiol.,CC[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1,halo,thiol
164354,Substitute a halo in the molecule Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 with nitro.,Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2,halo,nitro
192791,Substitute a nitrile in the molecule N#C[C@@]1(NC2CC2)CC[C@@H](Oc2ccc(F)cc2F)C1 with hydroxyl.,N#C[C@@]1(NC2CC2)CC[C@@H](Oc2ccc(F)cc2F)C1,nitrile,hydroxyl
116206,Please substitute a hydroxyl in the molecule Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1 by nitro.,Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1,hydroxyl,nitro
87384,Modify the molecule COc1cc2[nH]c3c(N4CCN(c5cccc(Cl)c5)CC4)ncnc3c2cc1OC by substituting a halo with hydroxyl.,COc1cc2[nH]c3c(N4CCN(c5cccc(Cl)c5)CC4)ncnc3c2cc1OC,halo,hydroxyl
131411,Modify the molecule Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1 by substituting a hydroxyl with carboxyl.,Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1,hydroxyl,carboxyl
234614,Modify the molecule O=C(C[NH2+]C1CCCCC1)Nc1ccc(F)c(Cl)c1 by substituting a halo with nitro.,O=C(C[NH2+]C1CCCCC1)Nc1ccc(F)c(Cl)c1,halo,nitro
130271,Substitute a halo in the molecule O=C1NC[C@H](C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)N1 with carboxyl.,O=C1NC[C@H](C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)N1,halo,carboxyl
101537,Modify the molecule COc1ccc(CC(=O)NC[C@@](C)(O)C2CC2)cc1OC by replacing a hydroxyl by thiol.,COc1ccc(CC(=O)NC[C@@](C)(O)C2CC2)cc1OC,hydroxyl,thiol
196601,Please substitute a nitro in the molecule CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] by aldehyde.,CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-],nitro,aldehyde
44066,Please replace a halo in the molecule COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC with hydroxyl.,COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC,halo,hydroxyl
158369,Substitute a halo in the molecule CC[C@@H]1CC(=O)N(S(=O)(=O)c2sc(Cl)nc2C)C1 with carboxyl.,CC[C@@H]1CC(=O)N(S(=O)(=O)c2sc(Cl)nc2C)C1,halo,carboxyl
95505,Please substitute a halo in the molecule COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1 by hydroxyl.,COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1,halo,hydroxyl
97668,Please substitute a halo in the molecule O=C(NCc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 by thiol.,O=C(NCc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1,halo,thiol
91269,Replace a halo in the molecule COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 by nitro.,COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1,halo,nitro
165662,Replace a halo in the molecule O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I by aldehyde.,O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I,halo,aldehyde
32609,Replace a halo in the molecule O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1cc(Cl)ccc1Cl by thiol.,O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1cc(Cl)ccc1Cl,halo,thiol
18320,Replace a hydroxyl in the molecule O=C(c1cc(F)cc(Br)c1)N1CCCC[C@H]1CCO by aldehyde.,O=C(c1cc(F)cc(Br)c1)N1CCCC[C@H]1CCO,hydroxyl,aldehyde
186529,Modify the molecule COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1 by substituting a halo with carboxyl.,COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1,halo,carboxyl
150241,Substitute a hydroxyl in the molecule CC(=O)Nc1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1C with nitro.,CC(=O)Nc1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1C,hydroxyl,nitro
57025,Please replace a halo in the molecule O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 with nitro.,O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1,halo,nitro
4465,Please replace a halo in the molecule OC[C@@H](Br)C(F)(F)Br with hydroxyl.,OC[C@@H](Br)C(F)(F)Br,halo,hydroxyl
219322,Modify the molecule C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 by replacing a hydroxyl by nitro.,C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1,hydroxyl,nitro
112471,Modify the molecule CCN(CCOC)c1cccc(F)c1C[NH3+] by substituting a halo with hydroxyl.,CCN(CCOC)c1cccc(F)c1C[NH3+],halo,hydroxyl
49861,Substitute a halo in the molecule CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 with aldehyde.,CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1,halo,aldehyde
126476,Please substitute a halo in the molecule COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1 by hydroxyl.,COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1,halo,hydroxyl
137367,Please replace a nitrile in the molecule N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCCc1ccccc1 with hydroxyl.,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCCc1ccccc1,nitrile,hydroxyl
204986,Modify the molecule CCCCN(CCCC)c1nc(Cl)ncc1F by replacing a halo by nitro.,CCCCN(CCCC)c1nc(Cl)ncc1F,halo,nitro
45989,Modify the molecule O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 by substituting a halo with hydroxyl.,O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1,halo,hydroxyl
58061,Replace a nitro in the molecule CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 by aldehyde.,CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1,nitro,aldehyde
128183,Substitute a halo in the molecule Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 with nitro.,Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1,halo,nitro
159216,Please substitute a halo in the molecule CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1 by carboxyl.,CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1,halo,carboxyl
77702,Modify the molecule Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 by substituting a nitro with hydroxyl.,Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1,nitro,hydroxyl
187365,Modify the molecule COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 by replacing a halo by aldehyde.,COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1,halo,aldehyde
160211,Please substitute a hydroxyl in the molecule NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F by halo.,NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F,hydroxyl,halo
165655,Replace a halo in the molecule O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1 by carboxyl.,O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1,halo,carboxyl
65316,Modify the molecule O=C1N=C([O-])N(c2ccc(Cl)cc2)[C@@H](O)[C@H]1[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21 by substituting a halo with hydroxyl.,O=C1N=C([O-])N(c2ccc(Cl)cc2)[C@@H](O)[C@H]1[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21,halo,hydroxyl
81962,Replace a halo in the molecule Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12 by hydroxyl.,Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12,halo,hydroxyl
220596,Modify the molecule CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 by substituting a halo with carboxyl.,CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1,halo,carboxyl
81769,Modify the molecule CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1 by substituting a hydroxyl with thiol.,CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1,hydroxyl,thiol
239230,Replace a hydroxyl in the molecule C[C@@H]1CCC[NH+]1Cc1cc(F)cc(C#CCCO)c1 by halo.,C[C@@H]1CCC[NH+]1Cc1cc(F)cc(C#CCCO)c1,hydroxyl,halo
21771,Substitute a hydroxyl in the molecule C[C@H]([C@H]1Cc2ccccc2O1)[NH+](C)Cc1ccc(CO)o1 with carboxyl.,C[C@H]([C@H]1Cc2ccccc2O1)[NH+](C)Cc1ccc(CO)o1,hydroxyl,carboxyl
181521,Please substitute a halo in the molecule COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br by aldehyde.,COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br,halo,aldehyde
222707,Modify the molecule C/C(=N\O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C by replacing a hydroxyl by aldehyde.,C/C(=N\O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C,hydroxyl,aldehyde
101878,Substitute a aldehyde in the molecule CCN(CC)C(=O)COC(=O)c1ccc(C=O)cc1 with thiol.,CCN(CC)C(=O)COC(=O)c1ccc(C=O)cc1,aldehyde,thiol
159309,Please substitute a hydroxyl in the molecule C[C@H]1CCN(C(=O)c2c(F)cccc2F)C[C@H]1O by nitro.,C[C@H]1CCN(C(=O)c2c(F)cccc2F)C[C@H]1O,hydroxyl,nitro
78338,Substitute a hydroxyl in the molecule COc1ccccc1C[C@H](O)C(C)(C)[NH+]1CCCCCC1 with thiol.,COc1ccccc1C[C@H](O)C(C)(C)[NH+]1CCCCCC1,hydroxyl,thiol
175081,Modify the molecule O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 by replacing a nitro by hydroxyl.,O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1,nitro,hydroxyl
144494,Please replace a hydroxyl in the molecule Cn1cc[nH+]c1C[C@@H](O)c1cccnc1 with halo.,Cn1cc[nH+]c1C[C@@H](O)c1cccnc1,hydroxyl,halo
12368,Substitute a hydroxyl in the molecule O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 with carboxyl.,O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21,hydroxyl,carboxyl
64082,Please substitute a halo in the molecule O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 by hydroxyl.,O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1,halo,hydroxyl
89951,Please replace a halo in the molecule Cc1c(Cl)ccc2s/c(=N/C(=O)[C@@H]3CCCCN3S(C)(=O)=O)n(C)c12 with nitrile.,Cc1c(Cl)ccc2s/c(=N/C(=O)[C@@H]3CCCCN3S(C)(=O)=O)n(C)c12,halo,nitrile
141815,Substitute a thiol in the molecule S/C(=N\N=C\c1c(Cl)cccc1Cl)Nc1ccccc1 with nitro.,S/C(=N\N=C\c1c(Cl)cccc1Cl)Nc1ccccc1,thiol,nitro
106107,Please substitute a halo in the molecule Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O by nitrile.,Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O,halo,nitrile
161244,Please replace a hydroxyl in the molecule Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] with thiol.,Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-],hydroxyl,thiol
192763,Modify the molecule COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 by substituting a nitro with nitrile.,COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1,nitro,nitrile
192105,Substitute a hydroxyl in the molecule CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 with halo.,CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1,hydroxyl,halo
51505,Replace a halo in the molecule Cc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1F by aldehyde.,Cc1cccc(C)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1F,halo,aldehyde
179968,Please replace a halo in the molecule NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 with carboxyl.,NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)c1ccccc1,halo,carboxyl
213141,Please replace a halo in the molecule Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 with carboxyl.,Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1,halo,carboxyl
244955,Please substitute a hydroxyl in the molecule CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2 by carboxyl.,CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2,hydroxyl,carboxyl
193043,Modify the molecule O[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 by substituting a hydroxyl with carboxyl.,O[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1,hydroxyl,carboxyl
51861,Please substitute a hydroxyl in the molecule Cc1nn(CCO)c(C)c1C[NH+]1CC[C@H](C)C[C@H](C)C1 by carboxyl.,Cc1nn(CCO)c(C)c1C[NH+]1CC[C@H](C)C[C@H](C)C1,hydroxyl,carboxyl
28495,Please replace a halo in the molecule C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1 with nitro.,C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1,halo,nitro
67373,Please substitute a halo in the molecule Cc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1C by nitro.,Cc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1C,halo,nitro
157860,Please replace a hydroxyl in the molecule CCc1c(N2CC[C@](O)(CC)[C@H](O)C2)nc(C)[nH+]c1C with carboxyl.,CCc1c(N2CC[C@](O)(CC)[C@H](O)C2)nc(C)[nH+]c1C,hydroxyl,carboxyl
143208,Replace a hydroxyl in the molecule CCCCN(CCO)C(=O)N[C@H](C)C(C)C by halo.,CCCCN(CCO)C(=O)N[C@H](C)C(C)C,hydroxyl,halo
164901,Modify the molecule CC[C@]1(c2ccc(NC(=O)C3(C#N)CCCC3)cc2)CCC(=O)NC1=O by replacing a nitrile by hydroxyl.,CC[C@]1(c2ccc(NC(=O)C3(C#N)CCCC3)cc2)CCC(=O)NC1=O,nitrile,hydroxyl
172147,Substitute a halo in the molecule Cc1cc(F)c([C@H](O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1F with thiol.,Cc1cc(F)c([C@H](O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1F,halo,thiol
168615,Replace a halo in the molecule O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(C2CC2)nn1-c1ccccc1 by aldehyde.,O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(C2CC2)nn1-c1ccccc1,halo,aldehyde
14129,Substitute a halo in the molecule COC[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2F)C1 with hydroxyl.,COC[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2F)C1,halo,hydroxyl
177872,Please replace a nitrile in the molecule C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 with carboxyl.,C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1,nitrile,carboxyl
203259,Replace a halo in the molecule Cc1cc(F)ccc1CCN1CC(C)(C)[NH2+]C[C@H]1C by thiol.,Cc1cc(F)ccc1CCN1CC(C)(C)[NH2+]C[C@H]1C,halo,thiol
83460,Please substitute a hydroxyl in the molecule CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H](C)CC[C@H]2C1=O by carboxyl.,CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H](C)CC[C@H]2C1=O,hydroxyl,carboxyl
1297,Modify the molecule Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 by substituting a halo with nitro.,Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c(F)c1,halo,nitro
123876,Please replace a halo in the molecule Cc1nnc2ccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)nn12 with hydroxyl.,Cc1nnc2ccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)nn12,halo,hydroxyl
34104,Please substitute a halo in the molecule COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1F by aldehyde.,COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1F,halo,aldehyde
201294,Modify the molecule COc1ccc2c(CC(=O)[C@@H](C#N)c3ccccn3)coc2c1 by replacing a nitrile by hydroxyl.,COc1ccc2c(CC(=O)[C@@H](C#N)c3ccccn3)coc2c1,nitrile,hydroxyl
64445,Please replace a nitrile in the molecule CC[C@@](C)(C#N)NC(=O)Cc1noc2ccccc12 with aldehyde.,CC[C@@](C)(C#N)NC(=O)Cc1noc2ccccc12,nitrile,aldehyde
98000,Substitute a aldehyde in the molecule Cc1cccc(CN(C)c2ccc(C=O)s2)n1 with thiol.,Cc1cccc(CN(C)c2ccc(C=O)s2)n1,aldehyde,thiol
181206,Modify the molecule Nc1ccc([C@@H](O)[C@@H](CO)NC(=O)c2ccco2)cc1 by substituting a hydroxyl with nitrile.,Nc1ccc([C@@H](O)[C@@H](CO)NC(=O)c2ccco2)cc1,hydroxyl,nitrile
123176,Please substitute a halo in the molecule C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)c1cccc(F)c1 by hydroxyl.,C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)c1cccc(F)c1,halo,hydroxyl
147984,Substitute a halo in the molecule CCCn1nccc1NC(=O)c1ccncc1Cl with aldehyde.,CCCn1nccc1NC(=O)c1ccncc1Cl,halo,aldehyde
178829,Please substitute a halo in the molecule CCn1c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1-c1cccc(Cl)c1 by aldehyde.,CCn1c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1-c1cccc(Cl)c1,halo,aldehyde
241396,Please substitute a halo in the molecule CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1 by hydroxyl.,CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1,halo,hydroxyl
164545,Modify the molecule CCN[C@]1(C#N)CC[C@@H]([NH+]2CCCO[C@H](C)C2)C1 by replacing a nitrile by hydroxyl.,CCN[C@]1(C#N)CC[C@@H]([NH+]2CCCO[C@H](C)C2)C1,nitrile,hydroxyl
29517,Please replace a halo in the molecule Cc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1 with thiol.,Cc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(F)cc2)cc1,halo,thiol
76563,Please replace a halo in the molecule C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F with hydroxyl.,C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F,halo,hydroxyl
147590,Replace a nitrile in the molecule CN(Cc1ncnn1C)C(=O)COc1ccccc1C#N by aldehyde.,CN(Cc1ncnn1C)C(=O)COc1ccccc1C#N,nitrile,aldehyde
65771,Replace a halo in the molecule C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCOC(C)(C)C1 by aldehyde.,C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCOC(C)(C)C1,halo,aldehyde
139709,Modify the molecule O=C(CSCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)cc1 by replacing a halo by nitro.,O=C(CSCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)cc1,halo,nitro
69568,Modify the molecule CN(C)C(=O)Nc1ccccc1CO by substituting a hydroxyl with nitrile.,CN(C)C(=O)Nc1ccccc1CO,hydroxyl,nitrile
105279,Replace a halo in the molecule CCN(C(=O)c1ccc(Br)cc1F)c1cccc(C)c1 by thiol.,CCN(C(=O)c1ccc(Br)cc1F)c1cccc(C)c1,halo,thiol
81146,Modify the molecule CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 by substituting a halo with nitro.,CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1,halo,nitro
105813,Please substitute a hydroxyl in the molecule CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 by aldehyde.,CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1,hydroxyl,aldehyde
6070,Modify the molecule CCOc1ccccc1[C@H]1N[C@@H](C[NH+]2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)[C@H](C)O1 by replacing a halo by nitro.,CCOc1ccccc1[C@H]1N[C@@H](C[NH+]2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)[C@H](C)O1,halo,nitro
165458,Substitute a halo in the molecule O=C(Cn1cnc2cc(F)ccc2c1=O)NCCOc1ccc(F)cc1 with aldehyde.,O=C(Cn1cnc2cc(F)ccc2c1=O)NCCOc1ccc(F)cc1,halo,aldehyde
232079,Modify the molecule Cc1cc2ccccc2n1CC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 by substituting a hydroxyl with thiol.,Cc1cc2ccccc2n1CC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12,hydroxyl,thiol
215768,Substitute a halo in the molecule C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC with nitro.,C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC,halo,nitro
114761,Modify the molecule O=C(c1ccc([N+](=O)[O-])cc1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 by substituting a nitro with halo.,O=C(c1ccc([N+](=O)[O-])cc1)N1CCCSC[C@@H]1C[NH+]1CCCCC1,nitro,halo
47997,Modify the molecule CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)C1 by substituting a halo with carboxyl.,CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)C1,halo,carboxyl
230266,Replace a halo in the molecule Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 by nitro.,Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1,halo,nitro
70695,Replace a hydroxyl in the molecule O=C(c1csc(C#CCO)c1)N1CC[C@@H]2CCCC[C@@H]2C1 by aldehyde.,O=C(c1csc(C#CCO)c1)N1CC[C@@H]2CCCC[C@@H]2C1,hydroxyl,aldehyde
170187,Replace a halo in the molecule O=C(NCc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2)c1c(F)cccc1F by hydroxyl.,O=C(NCc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2)c1c(F)cccc1F,halo,hydroxyl
166193,Modify the molecule O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 by substituting a halo with nitro.,O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1,halo,nitro
235045,Modify the molecule N/C(C[C@H]1CC(c2ccc(F)cc2)=NO1)=N\O by replacing a halo by nitrile.,N/C(C[C@H]1CC(c2ccc(F)cc2)=NO1)=N\O,halo,nitrile
100539,Modify the molecule CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 by replacing a nitro by hydroxyl.,CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1,nitro,hydroxyl
162659,Modify the molecule CC(C)[C@@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 by substituting a halo with carboxyl.,CC(C)[C@@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1,halo,carboxyl
47079,Modify the molecule O=C(NCCc1cccc(F)c1)N[C@H](CCO)c1ccccc1 by substituting a hydroxyl with carboxyl.,O=C(NCCc1cccc(F)c1)N[C@H](CCO)c1ccccc1,hydroxyl,carboxyl
128517,Modify the molecule CCCCNC(=O)C(=O)Nc1ccc(F)cc1Br by replacing a halo by carboxyl.,CCCCNC(=O)C(=O)Nc1ccc(F)cc1Br,halo,carboxyl
172186,Modify the molecule Cc1cc(F)c([C@@H](C)CC[NH3+])cc1F by substituting a halo with aldehyde.,Cc1cc(F)c([C@@H](C)CC[NH3+])cc1F,halo,aldehyde
41649,Substitute a halo in the molecule C[C@H](Cl)[C@H](C)c1ccc(F)c(Br)c1 with thiol.,C[C@H](Cl)[C@H](C)c1ccc(F)c(Br)c1,halo,thiol
4231,Please substitute a halo in the molecule CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)N1CCN(C)CC1 by nitrile.,CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)N1CCN(C)CC1,halo,nitrile
150497,Modify the molecule COC(=O)c1nn(C[NH+](C)Cc2ccc(Cl)cc2)c(=O)c2noc(C)c12 by substituting a halo with nitrile.,COC(=O)c1nn(C[NH+](C)Cc2ccc(Cl)cc2)c(=O)c2noc(C)c12,halo,nitrile
45891,Modify the molecule CNC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCC2 by replacing a halo by nitrile.,CNC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCC2,halo,nitrile
231157,Replace a halo in the molecule CC[C@@H](NC(=O)c1ccc(Br)cc1N)c1ccccc1 by nitrile.,CC[C@@H](NC(=O)c1ccc(Br)cc1N)c1ccccc1,halo,nitrile
5174,Please substitute a halo in the molecule COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl by nitro.,COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl,halo,nitro
236256,Modify the molecule Cc1cnccc1NC(=O)C/C=C/c1ccc(F)cc1 by replacing a halo by hydroxyl.,Cc1cnccc1NC(=O)C/C=C/c1ccc(F)cc1,halo,hydroxyl
135946,Modify the molecule O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F by substituting a halo with hydroxyl.,O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,halo,hydroxyl
55361,Replace a nitrile in the molecule N#Cc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 by hydroxyl.,N#Cc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1,nitrile,hydroxyl
79860,Replace a nitrile in the molecule CC[NH+](CCCC#N)[C@H](C)c1cc2ccccc2o1 by aldehyde.,CC[NH+](CCCC#N)[C@H](C)c1cc2ccccc2o1,nitrile,aldehyde
98067,Please substitute a halo in the molecule CN(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 by carboxyl.,CN(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1,halo,carboxyl
49809,Modify the molecule CCSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 by substituting a halo with aldehyde.,CCSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1,halo,aldehyde
239704,Modify the molecule Cc1c([C@@H](C)NC(=O)C[C@H]2C=CCC2)cnn1-c1ccc(F)cc1 by substituting a halo with hydroxyl.,Cc1c([C@@H](C)NC(=O)C[C@H]2C=CCC2)cnn1-c1ccc(F)cc1,halo,hydroxyl
171559,Replace a halo in the molecule Cc1cc(F)cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 by hydroxyl.,Cc1cc(F)cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1,halo,hydroxyl
248316,Please substitute a halo in the molecule COc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)cc1Cl by nitrile.,COc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)cc1Cl,halo,nitrile
107337,Replace a halo in the molecule O=S(=O)(NCc1ccccc1OC(F)(F)F)c1cccs1 by carboxyl.,O=S(=O)(NCc1ccccc1OC(F)(F)F)c1cccs1,halo,carboxyl
64357,Substitute a halo in the molecule CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 with aldehyde.,CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1,halo,aldehyde
62087,Please replace a halo in the molecule C=CCNc1nc(Cl)cc(COC)n1 with thiol.,C=CCNc1nc(Cl)cc(COC)n1,halo,thiol
20860,Substitute a halo in the molecule CCCn1nc(C(=O)Nc2cc(Cl)ccc2O)ccc1=O with aldehyde.,CCCn1nc(C(=O)Nc2cc(Cl)ccc2O)ccc1=O,halo,aldehyde
16250,Substitute a halo in the molecule CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2OC)cc1 with aldehyde.,CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2OC)cc1,halo,aldehyde
34970,Replace a hydroxyl in the molecule CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2CCC[C@@H]2C)CC1 by halo.,CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2CCC[C@@H]2C)CC1,hydroxyl,halo
156856,Modify the molecule O=c1nc2ccc(F)cc2c(-c2ccccc2Cl)[nH]1 by replacing a halo by aldehyde.,O=c1nc2ccc(F)cc2c(-c2ccccc2Cl)[nH]1,halo,aldehyde
161981,Modify the molecule CC/C(C=O)=C\c1ccc([N+](=O)[O-])o1 by substituting a aldehyde with thiol.,CC/C(C=O)=C\c1ccc([N+](=O)[O-])o1,aldehyde,thiol
226801,Please substitute a hydroxyl in the molecule CCCc1ccc([C@H](O)[C@@H]2CN(CC)CCO2)cc1 by nitrile.,CCCc1ccc([C@H](O)[C@@H]2CN(CC)CCO2)cc1,hydroxyl,nitrile
116833,Replace a nitrile in the molecule Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC[C@H](C(=O)N(C)C)C2)cc1 by halo.,Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC[C@H](C(=O)N(C)C)C2)cc1,nitrile,halo
202082,Modify the molecule CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 by substituting a halo with thiol.,CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1,halo,thiol
235020,Modify the molecule Cc1ccc(C(=O)NCC(=O)NCCc2ccccc2[N+](=O)[O-])cc1C by replacing a nitro by halo.,Cc1ccc(C(=O)NCC(=O)NCCc2ccccc2[N+](=O)[O-])cc1C,nitro,halo
218436,Please substitute a nitrile in the molecule Cc1ccc(F)cc1S(=O)(=O)N[C@H](C#N)c1ccccc1F by thiol.,Cc1ccc(F)cc1S(=O)(=O)N[C@H](C#N)c1ccccc1F,nitrile,thiol
101844,Replace a halo in the molecule COc1ccc(CNC(=O)NCCCn2cnc3ccccc32)cc1F by carboxyl.,COc1ccc(CNC(=O)NCCCn2cnc3ccccc32)cc1F,halo,carboxyl
124054,Please substitute a halo in the molecule O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O by thiol.,O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O,halo,thiol
39825,Please substitute a halo in the molecule COCCN(C)C(=O)Nc1ccc(Br)cc1Cl by nitro.,COCCN(C)C(=O)Nc1ccc(Br)cc1Cl,halo,nitro
65132,Modify the molecule COc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c(Cl)cc1O by replacing a halo by aldehyde.,COc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c(Cl)cc1O,halo,aldehyde
240290,Replace a halo in the molecule Cn1ncc(-c2cc3ncc(S(=O)(=O)C(C)(C)C)c(N)n3n2)c1C(F)(F)F by carboxyl.,Cn1ncc(-c2cc3ncc(S(=O)(=O)C(C)(C)C)c(N)n3n2)c1C(F)(F)F,halo,carboxyl
191420,Please substitute a halo in the molecule Fc1ccc(OC(F)F)cc1 by thiol.,Fc1ccc(OC(F)F)cc1,halo,thiol
169467,Please replace a hydroxyl in the molecule Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 with halo.,Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1,hydroxyl,halo
28367,Please replace a hydroxyl in the molecule COc1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 with carboxyl.,COc1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1,hydroxyl,carboxyl
99276,Replace a halo in the molecule O=C(Cc1nc2cccc(Cl)c2s1)C(F)(F)F by nitro.,O=C(Cc1nc2cccc(Cl)c2s1)C(F)(F)F,halo,nitro
89300,Please replace a halo in the molecule COC(=O)CN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(F)c1 with hydroxyl.,COC(=O)CN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(F)c1,halo,hydroxyl
135611,Please replace a hydroxyl in the molecule CCc1nc(SCCO)c2oc3ccccc3c2n1 with carboxyl.,CCc1nc(SCCO)c2oc3ccccc3c2n1,hydroxyl,carboxyl
28962,Replace a halo in the molecule O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)C1CC1 by hydroxyl.,O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)C1CC1,halo,hydroxyl
46135,Replace a halo in the molecule COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 by carboxyl.,COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1,halo,carboxyl
8983,Replace a nitro in the molecule O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 by hydroxyl.,O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1,nitro,hydroxyl
206192,Modify the molecule CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O by replacing a halo by nitro.,CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O,halo,nitro
200726,Please substitute a halo in the molecule O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F by nitrile.,O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F,halo,nitrile
148653,Modify the molecule FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1 by substituting a halo with nitrile.,FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1,halo,nitrile
174004,Please substitute a halo in the molecule C[C@H]1CCC[C@@H](/C=C/CCl)C1 by thiol.,C[C@H]1CCC[C@@H](/C=C/CCl)C1,halo,thiol
129999,Modify the molecule Cc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C by replacing a halo by thiol.,Cc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C,halo,thiol
215490,Please substitute a hydroxyl in the molecule Cc1ccsc1[C@@H](O)CNC(=O)NCc1cccc2ccccc12 by carboxyl.,Cc1ccsc1[C@@H](O)CNC(=O)NCc1cccc2ccccc12,hydroxyl,carboxyl
85146,Modify the molecule Cc1nc(CN2C(=O)C(=O)c3cc(Cl)ccc32)sc1C by replacing a halo by carboxyl.,Cc1nc(CN2C(=O)C(=O)c3cc(Cl)ccc32)sc1C,halo,carboxyl
209312,Substitute a hydroxyl in the molecule C[C@](O)([C@@H]1CCCC[NH2+]1)C(F)(F)F with halo.,C[C@](O)([C@@H]1CCCC[NH2+]1)C(F)(F)F,hydroxyl,halo
182542,Replace a nitrile in the molecule Cc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)s1 by thiol.,Cc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)s1,nitrile,thiol
111775,Please substitute a hydroxyl in the molecule CCC1(C)CC[NH+](CC(C)(C)[C@@H](C)O)CC1 by carboxyl.,CCC1(C)CC[NH+](CC(C)(C)[C@@H](C)O)CC1,hydroxyl,carboxyl
70888,Modify the molecule C[C@@H]1CCCC[NH+]1CCNC(=O)C1(O)Cc2ccccc2C1 by substituting a hydroxyl with halo.,C[C@@H]1CCCC[NH+]1CCNC(=O)C1(O)Cc2ccccc2C1,hydroxyl,halo
238042,Please substitute a halo in the molecule C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1cccnc1Cl by aldehyde.,C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1cccnc1Cl,halo,aldehyde
22186,Please replace a halo in the molecule COc1ccc(C2=NO[C@@H]([C@H]3C=C(c4ccc(F)cc4)N=N3)N2)cc1 with hydroxyl.,COc1ccc(C2=NO[C@@H]([C@H]3C=C(c4ccc(F)cc4)N=N3)N2)cc1,halo,hydroxyl
108928,Substitute a halo in the molecule COc1ccc(Br)c([C@H](Cl)[C@@H](C)c2ccccn2)c1 with carboxyl.,COc1ccc(Br)c([C@H](Cl)[C@@H](C)c2ccccn2)c1,halo,carboxyl
114175,Please substitute a halo in the molecule O=C(NCCCCn1ccccc1=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 by aldehyde.,O=C(NCCCCn1ccccc1=O)N[C@H]1C[C@H]1c1cccc(Cl)c1,halo,aldehyde
126158,Modify the molecule O=C1CS[C@H](c2ccccc2F)N1CC[NH+]1CCCCC1 by replacing a halo by aldehyde.,O=C1CS[C@H](c2ccccc2F)N1CC[NH+]1CCCCC1,halo,aldehyde
136609,Please replace a nitro in the molecule CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 with hydroxyl.,CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1,nitro,hydroxyl
99557,Please replace a halo in the molecule CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)cc1 with carboxyl.,CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)cc1,halo,carboxyl
106834,Substitute a nitro in the molecule O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 with halo.,O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,nitro,halo
38839,Substitute a halo in the molecule Cc1ccc(Cl)c(NC(=O)Nc2ccccc2F)c1 with hydroxyl.,Cc1ccc(Cl)c(NC(=O)Nc2ccccc2F)c1,halo,hydroxyl
74479,Replace a nitrile in the molecule N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2Cl)[C@H]2CN(Cc3ccccc3)CC=C12 by aldehyde.,N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2Cl)[C@H]2CN(Cc3ccccc3)CC=C12,nitrile,aldehyde
43824,Modify the molecule O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 by replacing a halo by carboxyl.,O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1,halo,carboxyl
145270,Replace a halo in the molecule O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12 by hydroxyl.,O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12,halo,hydroxyl
54779,Replace a halo in the molecule C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 by nitro.,C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1,halo,nitro
149860,Modify the molecule Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)C1CCCCC1 by substituting a hydroxyl with nitro.,Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)C1CCCCC1,hydroxyl,nitro
170426,Substitute a halo in the molecule C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1 with aldehyde.,C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1,halo,aldehyde
233456,Substitute a nitro in the molecule O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ccc2nonc12 with hydroxyl.,O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ccc2nonc12,nitro,hydroxyl
234631,Please replace a halo in the molecule O=C(Nc1ccccc1O)c1ccc(Br)cc1Br with nitrile.,O=C(Nc1ccccc1O)c1ccc(Br)cc1Br,halo,nitrile
40642,Please substitute a halo in the molecule CC[C@H](CSC)[NH+](C)Cc1cccc(Cl)n1 by nitrile.,CC[C@H](CSC)[NH+](C)Cc1cccc(Cl)n1,halo,nitrile
198111,Please replace a nitrile in the molecule C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ncccc2C#N)CC1 with halo.,C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ncccc2C#N)CC1,nitrile,halo
148621,Modify the molecule CC1(C)CCSC[C@@]1(O)c1cccc2ccccc12 by replacing a hydroxyl by nitrile.,CC1(C)CCSC[C@@]1(O)c1cccc2ccccc12,hydroxyl,nitrile
24759,Please substitute a halo in the molecule C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 by carboxyl.,C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(N2CCOC2=O)c1,halo,carboxyl
11070,Please substitute a hydroxyl in the molecule CCc1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1 by thiol.,CCc1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1,hydroxyl,thiol
141698,Please replace a halo in the molecule Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12 with hydroxyl.,Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12,halo,hydroxyl
146763,Modify the molecule CC[C@]1(C)CC(=O)NC(=O)[C@@H]1c1ccccc1Br by replacing a halo by aldehyde.,CC[C@]1(C)CC(=O)NC(=O)[C@@H]1c1ccccc1Br,halo,aldehyde
196551,Please substitute a halo in the molecule Cc1sc(CCNC(=O)c2cccnc2Cl)nc1-c1ccccc1 by aldehyde.,Cc1sc(CCNC(=O)c2cccnc2Cl)nc1-c1ccccc1,halo,aldehyde
177278,Substitute a halo in the molecule C=CCN1C[C@H](C(=O)Cl)CC1=O with hydroxyl.,C=CCN1C[C@H](C(=O)Cl)CC1=O,halo,hydroxyl
167221,Substitute a nitro in the molecule Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1O with aldehyde.,Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1O,nitro,aldehyde
212185,Replace a halo in the molecule C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(Cl)cc2)nc1=O by nitrile.,C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(Cl)cc2)nc1=O,halo,nitrile
199774,Please substitute a nitrile in the molecule N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@H]2CCCC=C12 by thiol.,N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@H]2CCCC=C12,nitrile,thiol
56893,Modify the molecule CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)F)c1 by substituting a halo with nitro.,CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)F)c1,halo,nitro
105238,Replace a halo in the molecule C[C@H]1Cc2ccc(OC(F)(F)F)cc2[C@@H]1[NH3+] by nitrile.,C[C@H]1Cc2ccc(OC(F)(F)F)cc2[C@@H]1[NH3+],halo,nitrile
189626,Please replace a nitrile in the molecule CCN1C(=O)/C(=C(/C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21 with halo.,CCN1C(=O)/C(=C(/C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21,nitrile,halo
148479,Modify the molecule O=C(NCc1ccccc1C#CCO)N1CCCC1 by substituting a hydroxyl with thiol.,O=C(NCc1ccccc1C#CCO)N1CCCC1,hydroxyl,thiol
201834,Please replace a halo in the molecule COC(=O)[C@@]1(F)CCN(Cc2ccc(C(C)(C)C)s2)C1 with hydroxyl.,COC(=O)[C@@]1(F)CCN(Cc2ccc(C(C)(C)C)s2)C1,halo,hydroxyl
128945,Modify the molecule O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 by substituting a halo with aldehyde.,O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1,halo,aldehyde
211153,Modify the molecule CC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 by substituting a halo with hydroxyl.,CC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1,halo,hydroxyl
46183,Modify the molecule O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CCCO1 by substituting a halo with carboxyl.,O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CCCO1,halo,carboxyl
233687,Replace a halo in the molecule Cc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 by nitro.,Cc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1,halo,nitro
176718,Please replace a halo in the molecule Clc1ccc([C@H]2NN=C(c3ccccc3)S2)c(Cl)c1 with thiol.,Clc1ccc([C@H]2NN=C(c3ccccc3)S2)c(Cl)c1,halo,thiol
51096,Modify the molecule O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 by replacing a halo by hydroxyl.,O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1,halo,hydroxyl
98124,Modify the molecule O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)CC1 by replacing a halo by nitro.,O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)CC1,halo,nitro
180222,Please replace a nitro in the molecule CCc1nn(C)c(NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1[N+](=O)[O-] with hydroxyl.,CCc1nn(C)c(NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1[N+](=O)[O-],nitro,hydroxyl
878,Modify the molecule CC(C)CNC(=O)[C@](C)(N)C(F)(F)F by replacing a halo by thiol.,CC(C)CNC(=O)[C@](C)(N)C(F)(F)F,halo,thiol
96698,Please replace a halo in the molecule Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 with thiol.,Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1,halo,thiol
110217,Please substitute a halo in the molecule Cc1cs/c(=N\S(=O)(=O)c2cc(C)c(Br)s2)[nH]1 by carboxyl.,Cc1cs/c(=N\S(=O)(=O)c2cc(C)c(Br)s2)[nH]1,halo,carboxyl
210938,Replace a halo in the molecule O=C(NCCCCl)[C@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 by carboxyl.,O=C(NCCCCl)[C@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1,halo,carboxyl
36608,Substitute a halo in the molecule C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[NH+](C)C1CC1 with nitro.,C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[NH+](C)C1CC1,halo,nitro
199558,Modify the molecule O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 by replacing a halo by aldehyde.,O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1,halo,aldehyde
11944,Please replace a halo in the molecule CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 with thiol.,CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2Cl)C1,halo,thiol
93392,Substitute a halo in the molecule C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl with carboxyl.,C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl,halo,carboxyl
94394,Substitute a halo in the molecule COCC(=O)NCCNC(=O)c1ccccc1Cl with nitrile.,COCC(=O)NCCNC(=O)c1ccccc1Cl,halo,nitrile
176357,Please replace a halo in the molecule Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 with aldehyde.,Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(C(=O)[O-])cc1,halo,aldehyde
140588,Substitute a nitro in the molecule O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCc1cccnc1 with halo.,O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCc1cccnc1,nitro,halo
171841,Replace a hydroxyl in the molecule C[C@H](CC1CCOCC1)[NH2+][C@H](CO)CC(C)(C)C by nitrile.,C[C@H](CC1CCOCC1)[NH2+][C@H](CO)CC(C)(C)C,hydroxyl,nitrile
86313,Modify the molecule CC(C)(C)C(=O)CNC(=O)c1cc(Cl)cc(Cl)c1 by replacing a halo by nitrile.,CC(C)(C)C(=O)CNC(=O)c1cc(Cl)cc(Cl)c1,halo,nitrile
60444,Substitute a halo in the molecule CCOC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C with carboxyl.,CCOC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C,halo,carboxyl
21902,Modify the molecule COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 by substituting a halo with aldehyde.,COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1,halo,aldehyde
64374,Modify the molecule COc1ccc(C)cc1[C@@H](O)CN1CCN(c2nccs2)CC1 by replacing a hydroxyl by carboxyl.,COc1ccc(C)cc1[C@@H](O)CN1CCN(c2nccs2)CC1,hydroxyl,carboxyl
155229,Modify the molecule O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCC1 by replacing a halo by hydroxyl.,O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCC1,halo,hydroxyl
142827,Please substitute a nitrile in the molecule COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCC(C)CC3)c(C#N)c21 by nitro.,COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCC(C)CC3)c(C#N)c21,nitrile,nitro
71257,Modify the molecule CC1(C)C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Cl by replacing a halo by thiol.,CC1(C)C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Cl,halo,thiol
72463,Please replace a nitro in the molecule CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(=O)c2ccc(C)nc21 with carboxyl.,CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(=O)c2ccc(C)nc21,nitro,carboxyl
238501,Please substitute a halo in the molecule CCC[C@@H]1CN(C(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)CCO1 by thiol.,CCC[C@@H]1CN(C(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)CCO1,halo,thiol
222119,Replace a hydroxyl in the molecule CC1(C)CCCC[C@]1(O)[C@@H]1NCCc2ccccc21 by carboxyl.,CC1(C)CCCC[C@]1(O)[C@@H]1NCCc2ccccc21,hydroxyl,carboxyl
116828,Please replace a hydroxyl in the molecule CC(C)(C)c1cc(C[NH+]2CCC3(CC2)[C@@H]([O-])C[C@H]3O)n[nH]1 with nitrile.,CC(C)(C)c1cc(C[NH+]2CCC3(CC2)[C@@H]([O-])C[C@H]3O)n[nH]1,hydroxyl,nitrile
231583,Modify the molecule Cc1nc(-c2ccccc2)sc1CN1CC[C@](O)(C(F)(F)F)C1 by substituting a hydroxyl with halo.,Cc1nc(-c2ccccc2)sc1CN1CC[C@](O)(C(F)(F)F)C1,hydroxyl,halo
149601,Modify the molecule O=C(Cc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 by replacing a halo by carboxyl.,O=C(Cc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1,halo,carboxyl
119380,Substitute a halo in the molecule CSc1ccc2cc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)c(Cl)nc2c1 with thiol.,CSc1ccc2cc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)c(Cl)nc2c1,halo,thiol
228283,Please substitute a halo in the molecule Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)C2=CN=C(C(=O)N3CCC(C)CC3)C2)C1 by carboxyl.,Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)C2=CN=C(C(=O)N3CCC(C)CC3)C2)C1,halo,carboxyl
67992,Modify the molecule COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4nc(Cl)nc5[nH]cnc45)C3)CC2)c1 by replacing a halo by hydroxyl.,COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4nc(Cl)nc5[nH]cnc45)C3)CC2)c1,halo,hydroxyl
53199,Substitute a halo in the molecule CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccncc1 with aldehyde.,CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccncc1,halo,aldehyde
183645,Modify the molecule C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC(=O)N(C)C by replacing a halo by thiol.,C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC(=O)N(C)C,halo,thiol
183512,Please replace a halo in the molecule CC[C@@H](c1nc(-c2cncc(Br)c2)no1)[C@H](C)[NH3+] with thiol.,CC[C@@H](c1nc(-c2cncc(Br)c2)no1)[C@H](C)[NH3+],halo,thiol
238478,Please substitute a halo in the molecule CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 by thiol.,CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1,halo,thiol
193717,Substitute a halo in the molecule Oc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccc(F)cc2)cc1O with aldehyde.,Oc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccc(F)cc2)cc1O,halo,aldehyde
150331,Please substitute a halo in the molecule CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 by nitrile.,CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,halo,nitrile
93360,Modify the molecule Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1 by substituting a nitro with carboxyl.,Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1,nitro,carboxyl
43156,Substitute a nitrile in the molecule CCc1sc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)cc1C with thiol.,CCc1sc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)cc1C,nitrile,thiol
161028,Please replace a halo in the molecule Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)s2)cc1 with nitro.,Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)s2)cc1,halo,nitro
22544,Replace a halo in the molecule CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CN1CCCc2cc(Br)ccc21 by nitro.,CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CN1CCCc2cc(Br)ccc21,halo,nitro
155797,Replace a halo in the molecule C/C(=N/Nc1nncc2ccccc12)c1ccc(N2CCCCC2)c(F)c1 by nitro.,C/C(=N/Nc1nncc2ccccc12)c1ccc(N2CCCCC2)c(F)c1,halo,nitro
111480,Please substitute a hydroxyl in the molecule CCN(Cc1cn2c(C)cc(C)nc2n1)C[C@@H](O)c1ccc(C)cc1 by nitrile.,CCN(Cc1cn2c(C)cc(C)nc2n1)C[C@@H](O)c1ccc(C)cc1,hydroxyl,nitrile
138980,Substitute a nitro in the molecule COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-] with nitrile.,COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-],nitro,nitrile
33156,Substitute a hydroxyl in the molecule CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 with nitrile.,CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1,hydroxyl,nitrile
228353,Substitute a halo in the molecule CCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 with carboxyl.,CCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12,halo,carboxyl
237442,Please substitute a nitrile in the molecule C[C@H](CCc1ccccc1)Cc1nc(-c2ccc(C#N)cn2)no1 by nitro.,C[C@H](CCc1ccccc1)Cc1nc(-c2ccc(C#N)cn2)no1,nitrile,nitro
133875,Substitute a hydroxyl in the molecule CC[NH+](C1CCCCC1)[C@H]1Cc2ccc(OC)cc2[C@@H]1O with nitro.,CC[NH+](C1CCCCC1)[C@H]1Cc2ccc(OC)cc2[C@@H]1O,hydroxyl,nitro
230305,Replace a halo in the molecule CN[C@H]1c2c(F)ccc(F)c2S(=O)(=O)[C@H](C)[C@H]1C by carboxyl.,CN[C@H]1c2c(F)ccc(F)c2S(=O)(=O)[C@H](C)[C@H]1C,halo,carboxyl
168671,Modify the molecule C[NH+](C)CCN1C[C@H](C(=O)NNc2ccc(F)cc2)CC1=O by replacing a halo by aldehyde.,C[NH+](C)CCN1C[C@H](C(=O)NNc2ccc(F)cc2)CC1=O,halo,aldehyde
99724,Modify the molecule O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1 by substituting a halo with hydroxyl.,O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1,halo,hydroxyl
42415,Replace a halo in the molecule CC[C@@H](C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12 by thiol.,CC[C@@H](C)NC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12,halo,thiol
164819,Please substitute a halo in the molecule O=C1N=NC=C(NCc2ccccc2OC2CCCC2)[C@@H]1Cl by thiol.,O=C1N=NC=C(NCc2ccccc2OC2CCCC2)[C@@H]1Cl,halo,thiol
88869,Replace a nitro in the molecule Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C(N)=O)cc1 by carboxyl.,Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C(N)=O)cc1,nitro,carboxyl
40927,Please replace a halo in the molecule Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 with nitro.,Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1,halo,nitro
131108,Substitute a halo in the molecule Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F with nitrile.,Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F,halo,nitrile
179702,Substitute a hydroxyl in the molecule C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)[O-] with nitro.,C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)[O-],hydroxyl,nitro
160076,Modify the molecule C[C@H](NCC(C)(C)[NH+]1CCN(C)CC1)c1ccc(Cl)s1 by substituting a halo with thiol.,C[C@H](NCC(C)(C)[NH+]1CCN(C)CC1)c1ccc(Cl)s1,halo,thiol
137630,Replace a hydroxyl in the molecule CCOC(OCC)[C@H](O)c1cncnc1 by thiol.,CCOC(OCC)[C@H](O)c1cncnc1,hydroxyl,thiol
30902,Substitute a hydroxyl in the molecule CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(C)c(O)c2)cc1 with carboxyl.,CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(C)c(O)c2)cc1,hydroxyl,carboxyl
80174,Please substitute a halo in the molecule Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)cc1 by carboxyl.,Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)cc1,halo,carboxyl
185515,Substitute a halo in the molecule CCc1c(C)nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]c1=O with aldehyde.,CCc1c(C)nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]c1=O,halo,aldehyde
101558,Modify the molecule CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@H](SCC)C2)c1F by substituting a halo with thiol.,CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@H](SCC)C2)c1F,halo,thiol
191315,Replace a halo in the molecule Cc1nscc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 by thiol.,Cc1nscc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,halo,thiol
173395,Replace a halo in the molecule C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 by aldehyde.,C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12,halo,aldehyde
25827,Replace a nitrile in the molecule Cn1cnnc1S[C@@H]1CCN(c2sccc2C#N)C1=O by thiol.,Cn1cnnc1S[C@@H]1CCN(c2sccc2C#N)C1=O,nitrile,thiol
32305,Replace a nitrile in the molecule C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)ccc1F by carboxyl.,C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)ccc1F,nitrile,carboxyl
21075,Replace a nitro in the molecule O=Cc1ccc(N2CCN(c3ccc(C=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 by nitrile.,O=Cc1ccc(N2CCN(c3ccc(C=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1,nitro,nitrile
36466,Please replace a halo in the molecule CCNC(=O)c1cccc(NC(=O)CNc2cccc(F)c2C)c1 with hydroxyl.,CCNC(=O)c1cccc(NC(=O)CNc2cccc(F)c2C)c1,halo,hydroxyl
191665,Modify the molecule Clc1cccc2c1SCC[C@@H]2NCCc1n[nH]c(-c2ccco2)n1 by substituting a halo with thiol.,Clc1cccc2c1SCC[C@@H]2NCCc1n[nH]c(-c2ccco2)n1,halo,thiol
18010,Modify the molecule NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F by replacing a halo by nitro.,NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F,halo,nitro
193512,Please replace a nitro in the molecule Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])CC(C)C)c1 with thiol.,Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])CC(C)C)c1,nitro,thiol
65570,Please substitute a hydroxyl in the molecule CC(C)Cn1ccc2cc(NC(=O)C(=O)NC3CCC(O)CC3)ccc21 by halo.,CC(C)Cn1ccc2cc(NC(=O)C(=O)NC3CCC(O)CC3)ccc21,hydroxyl,halo
49381,Modify the molecule C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(Cl)cc1)CC[NH+]2C by replacing a halo by aldehyde.,C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(Cl)cc1)CC[NH+]2C,halo,aldehyde
156318,Modify the molecule C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 by substituting a halo with nitro.,C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,halo,nitro
108007,Replace a halo in the molecule Cc1c(C(=O)N2CCOC[C@@H]2C2CC2)sc2ccc(F)cc12 by aldehyde.,Cc1c(C(=O)N2CCOC[C@@H]2C2CC2)sc2ccc(F)cc12,halo,aldehyde
122695,Please replace a nitro in the molecule CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 with hydroxyl.,CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1,nitro,hydroxyl
219082,Modify the molecule CCC[C@@H](C)NC(=O)Nc1ccc(Br)cc1 by replacing a halo by thiol.,CCC[C@@H](C)NC(=O)Nc1ccc(Br)cc1,halo,thiol
215991,Please substitute a halo in the molecule [NH3+]CC#Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1F by thiol.,[NH3+]CC#Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1F,halo,thiol
237899,Replace a halo in the molecule O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc(F)ccc1F by nitro.,O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc(F)ccc1F,halo,nitro
31315,Modify the molecule COc1ccc(Br)cc1N[C@H](C)C(=O)NC(=O)NC(C)C by substituting a halo with aldehyde.,COc1ccc(Br)cc1N[C@H](C)C(=O)NC(=O)NC(C)C,halo,aldehyde
223464,Please substitute a halo in the molecule COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC by nitro.,COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC,halo,nitro
68712,Please replace a halo in the molecule COc1ccc(F)c(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 with nitrile.,COc1ccc(F)c(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)c1,halo,nitrile
88907,Please replace a hydroxyl in the molecule CCc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 with halo.,CCc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1,hydroxyl,halo
90490,Please substitute a nitrile in the molecule CN(CC1CC[NH2+]CC1)c1cc(Cl)ccc1C#N by nitro.,CN(CC1CC[NH2+]CC1)c1cc(Cl)ccc1C#N,nitrile,nitro
58137,Modify the molecule COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 by replacing a halo by nitrile.,COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1,halo,nitrile
187047,Replace a halo in the molecule Cc1cccc(Cl)c1NCC(=O)Nc1ccc(N2CCOCC2)cc1 by hydroxyl.,Cc1cccc(Cl)c1NCC(=O)Nc1ccc(N2CCOCC2)cc1,halo,hydroxyl
130585,Substitute a halo in the molecule COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21 with hydroxyl.,COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21,halo,hydroxyl
119151,Substitute a halo in the molecule Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C with thiol.,Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C,halo,thiol
224983,Substitute a halo in the molecule O=C(c1ccco1)N1CCN(c2ncc(Cl)cc2F)CC1 with aldehyde.,O=C(c1ccco1)N1CCN(c2ncc(Cl)cc2F)CC1,halo,aldehyde
103931,Modify the molecule Cc1nc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)ccc1C#N by replacing a nitrile by carboxyl.,Cc1nc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)ccc1C#N,nitrile,carboxyl
13547,Modify the molecule CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(F)c1 by substituting a halo with nitro.,CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(F)c1,halo,nitro
14096,Please substitute a halo in the molecule CCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)nc3)ccc21 by aldehyde.,CCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)nc3)ccc21,halo,aldehyde
148350,Replace a halo in the molecule CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1 by carboxyl.,CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1,halo,carboxyl
71140,Modify the molecule CN(C)C(=O)CNc1nc2c(Br)cccn2n1 by substituting a halo with thiol.,CN(C)C(=O)CNc1nc2c(Br)cccn2n1,halo,thiol
21555,Substitute a hydroxyl in the molecule Cn1ncc([C@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1N with halo.,Cn1ncc([C@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1N,hydroxyl,halo
122379,Please replace a halo in the molecule C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F with carboxyl.,C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F,halo,carboxyl
152592,Modify the molecule O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1 by replacing a hydroxyl by carboxyl.,O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1,hydroxyl,carboxyl
93544,Modify the molecule N#CCOc1ccc(N[C@@H]2CC[C@H]([NH3+])C2)cc1 by replacing a nitrile by hydroxyl.,N#CCOc1ccc(N[C@@H]2CC[C@H]([NH3+])C2)cc1,nitrile,hydroxyl
44585,Modify the molecule C[C@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1 by replacing a nitrile by thiol.,C[C@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1,nitrile,thiol
191294,Please substitute a halo in the molecule C[C@@H](OC(=O)c1ccc(F)cc1OC(F)F)c1ccccn1 by thiol.,C[C@@H](OC(=O)c1ccc(F)cc1OC(F)F)c1ccccn1,halo,thiol
184076,Replace a halo in the molecule Nc1ccc(Cl)c(SC[C@@H]2CCCO2)c1 by hydroxyl.,Nc1ccc(Cl)c(SC[C@@H]2CCCO2)c1,halo,hydroxyl
20812,Substitute a halo in the molecule O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 with nitro.,O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1,halo,nitro
34067,Modify the molecule C[C@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)n1cncn1 by substituting a halo with nitrile.,C[C@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)n1cncn1,halo,nitrile
94619,Please substitute a halo in the molecule C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)C(=O)N(C)C by nitrile.,C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)C(=O)N(C)C,halo,nitrile
100803,Please substitute a halo in the molecule C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)Cc1ccccc1 by thiol.,C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)Cc1ccccc1,halo,thiol
145674,Please substitute a hydroxyl in the molecule COc1ccc(C)cc1[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C by thiol.,COc1ccc(C)cc1[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C,hydroxyl,thiol
223635,Please replace a hydroxyl in the molecule Cc1ccccc1C(=O)NCC(=O)NCC[C@@H](O)c1ccccc1 with halo.,Cc1ccccc1C(=O)NCC(=O)NCC[C@@H](O)c1ccccc1,hydroxyl,halo
89845,Replace a halo in the molecule CC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)N1CCOCC1 by nitrile.,CC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)N1CCOCC1,halo,nitrile
88347,Modify the molecule C=C(Cl)Cc1ccccn1 by replacing a halo by thiol.,C=C(Cl)Cc1ccccn1,halo,thiol
14258,Substitute a halo in the molecule CCn1cc(C(=O)C(F)(F)F)cn1 with thiol.,CCn1cc(C(=O)C(F)(F)F)cn1,halo,thiol
123406,Please replace a halo in the molecule NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 with carboxyl.,NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1,halo,carboxyl
212001,Modify the molecule Cc1ccc(C)c(NC(=O)[C@H](C)O/N=C/C(=O)Nc2ccc(F)cc2)c1 by substituting a halo with thiol.,Cc1ccc(C)c(NC(=O)[C@H](C)O/N=C/C(=O)Nc2ccc(F)cc2)c1,halo,thiol
28882,Modify the molecule CCOc1cc(/C=N/NC(=O)OC)cc([N+](=O)[O-])c1[O-] by substituting a nitro with nitrile.,CCOc1cc(/C=N/NC(=O)OC)cc([N+](=O)[O-])c1[O-],nitro,nitrile
67945,Please substitute a halo in the molecule O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCc2ccccc21 by nitro.,O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCc2ccccc21,halo,nitro
3011,Please substitute a halo in the molecule CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O by carboxyl.,CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O,halo,carboxyl
189221,Modify the molecule COc1ncccc1C[C@@H]1CCCC[C@H]1O by replacing a hydroxyl by halo.,COc1ncccc1C[C@@H]1CCCC[C@H]1O,hydroxyl,halo
122566,Modify the molecule Cc1c(C(=O)N(C)Cc2ccccc2O)nnn1-c1ccc(OC(C)C)cc1 by substituting a hydroxyl with nitro.,Cc1c(C(=O)N(C)Cc2ccccc2O)nnn1-c1ccc(OC(C)C)cc1,hydroxyl,nitro
163988,Substitute a halo in the molecule C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 with carboxyl.,C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1)c1ccc(F)cc1,halo,carboxyl
45448,Modify the molecule CC(C)CC[C@@H](C)[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O by replacing a halo by carboxyl.,CC(C)CC[C@@H](C)[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O,halo,carboxyl
243454,Please replace a halo in the molecule C[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc(F)cc1 with nitrile.,C[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc(F)cc1,halo,nitrile
137283,Please replace a hydroxyl in the molecule O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc(Cl)ccc1O with thiol.,O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc(Cl)ccc1O,hydroxyl,thiol
12789,Please substitute a halo in the molecule FC(F)(F)c1cccc(CNc2ncc(Cl)cn2)c1 by aldehyde.,FC(F)(F)c1cccc(CNc2ncc(Cl)cn2)c1,halo,aldehyde
72845,Please substitute a halo in the molecule O=C(Nc1cccnc1)c1ccc(F)c(C(F)(F)F)c1 by thiol.,O=C(Nc1cccnc1)c1ccc(F)c(C(F)(F)F)c1,halo,thiol
85114,Substitute a halo in the molecule Fc1ccc(C2=N[NH+]=C(NCc3ccccc3)SC2)cc1F with nitrile.,Fc1ccc(C2=N[NH+]=C(NCc3ccccc3)SC2)cc1F,halo,nitrile
131365,Please substitute a halo in the molecule Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 by aldehyde.,Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1,halo,aldehyde
120187,Substitute a halo in the molecule O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1ccccc1Cl with thiol.,O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1ccccc1Cl,halo,thiol
246264,Substitute a halo in the molecule Nc1cc(I)c2ccccc2c1 with carboxyl.,Nc1cc(I)c2ccccc2c1,halo,carboxyl
18496,Replace a halo in the molecule O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 by nitro.,O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2,halo,nitro
195847,Please substitute a halo in the molecule CCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 by nitro.,CCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1,halo,nitro
15343,Please substitute a halo in the molecule Cc1ccc([C@H](C)N2CC[NH2+]C[C@@H]2C(=O)N(C)C)cc1F by aldehyde.,Cc1ccc([C@H](C)N2CC[NH2+]C[C@@H]2C(=O)N(C)C)cc1F,halo,aldehyde
218843,Substitute a nitrile in the molecule N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 with carboxyl.,N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21,nitrile,carboxyl
139650,Substitute a halo in the molecule O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 with nitro.,O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1,halo,nitro
10555,Please substitute a halo in the molecule C=CCNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1C by hydroxyl.,C=CCNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1C,halo,hydroxyl
34094,Substitute a aldehyde in the molecule O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1 with carboxyl.,O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1,aldehyde,carboxyl
145724,Replace a nitrile in the molecule C[C@@H](OCC1CC1)C(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 by carboxyl.,C[C@@H](OCC1CC1)C(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3,nitrile,carboxyl
185681,Replace a hydroxyl in the molecule CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 by nitrile.,CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1,hydroxyl,nitrile
76172,Replace a halo in the molecule Cc1ccc(CNC(=O)NNc2cccc(F)c2F)cc1 by carboxyl.,Cc1ccc(CNC(=O)NNc2cccc(F)c2F)cc1,halo,carboxyl
126575,Please replace a hydroxyl in the molecule Cc1nn(C)c2nc(N[C@H](CO)CC(C)C)sc12 with aldehyde.,Cc1nn(C)c2nc(N[C@H](CO)CC(C)C)sc12,hydroxyl,aldehyde
180141,Replace a nitro in the molecule Cn1cc(C(=O)Nc2ccc(OC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc2)cn1 by halo.,Cn1cc(C(=O)Nc2ccc(OC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc2)cn1,nitro,halo
186771,Please replace a halo in the molecule Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C with thiol.,Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C,halo,thiol
201610,Modify the molecule Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O by replacing a halo by thiol.,Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O,halo,thiol
174455,Substitute a halo in the molecule C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1C(F)(F)F with aldehyde.,C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1C(F)(F)F,halo,aldehyde
179915,Please substitute a halo in the molecule Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 by aldehyde.,Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1,halo,aldehyde
128066,Please replace a halo in the molecule CN(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 with nitrile.,CN(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1,halo,nitrile
159479,Modify the molecule CCCCc1nc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)[nH]1 by substituting a halo with aldehyde.,CCCCc1nc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)[nH]1,halo,aldehyde
177436,Modify the molecule BrC1=C[C@@H](c2noc(CSc3ncn[nH]3)n2)SC1 by substituting a halo with carboxyl.,BrC1=C[C@@H](c2noc(CSc3ncn[nH]3)n2)SC1,halo,carboxyl
102209,Substitute a halo in the molecule Cc1cc(C(=O)N2CCCCCCC2)sc1Br with thiol.,Cc1cc(C(=O)N2CCCCCCC2)sc1Br,halo,thiol
239000,Please replace a halo in the molecule Cn1cnc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 with nitro.,Cn1cnc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1,halo,nitro
186465,Please replace a nitro in the molecule NC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 with halo.,NC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1,nitro,halo
57892,Replace a halo in the molecule O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Cl)cc2)o1 by hydroxyl.,O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Cl)cc2)o1,halo,hydroxyl
133957,Substitute a aldehyde in the molecule O=Cc1ccc(OCc2ccn(-c3ccccc3)n2)cc1 with hydroxyl.,O=Cc1ccc(OCc2ccn(-c3ccccc3)n2)cc1,aldehyde,hydroxyl
42662,Replace a halo in the molecule O=C(Oc1cccc(F)c1)C1(c2ccc(F)cc2F)CCOCC1 by thiol.,O=C(Oc1cccc(F)c1)C1(c2ccc(F)cc2F)CCOCC1,halo,thiol
20367,Substitute a halo in the molecule CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1 with nitro.,CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1,halo,nitro
222439,Replace a aldehyde in the molecule O=Cc1ccc(-c2cc[nH]c(=O)c2)s1 by halo.,O=Cc1ccc(-c2cc[nH]c(=O)c2)s1,aldehyde,halo
162533,Modify the molecule Clc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 by substituting a halo with aldehyde.,Clc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1,halo,aldehyde
162393,Substitute a nitrile in the molecule CC[C@@H](CC#N)NC(=O)[C@@]1(C)CCCO1 with hydroxyl.,CC[C@@H](CC#N)NC(=O)[C@@]1(C)CCCO1,nitrile,hydroxyl
171278,Please replace a halo in the molecule CC[NH+]1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 with nitrile.,CC[NH+]1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1,halo,nitrile
159557,Please substitute a nitrile in the molecule CSc1nc([O-])c(C(=O)NCCCc2nc3c(s2)CCCC3)cc1C#N by aldehyde.,CSc1nc([O-])c(C(=O)NCCCc2nc3c(s2)CCCC3)cc1C#N,nitrile,aldehyde
196497,Modify the molecule Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] by replacing a halo by carboxyl.,Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-],halo,carboxyl
159310,Please substitute a halo in the molecule Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)sc2ccc(F)cc12 by carboxyl.,Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)sc2ccc(F)cc12,halo,carboxyl
169072,Substitute a nitro in the molecule O=[N+]([O-])c1cccc(CNC[C@H]2COc3ccccc32)c1 with nitrile.,O=[N+]([O-])c1cccc(CNC[C@H]2COc3ccccc32)c1,nitro,nitrile
161942,Modify the molecule CN(C)C(=O)c1ccc(Cl)cc1 by replacing a halo by nitro.,CN(C)C(=O)c1ccc(Cl)cc1,halo,nitro
131923,Please replace a nitro in the molecule C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-n2cccn2)ccc1=O with halo.,C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-n2cccn2)ccc1=O,nitro,halo
233857,Please replace a nitrile in the molecule COCCN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CCC1=O with hydroxyl.,COCCN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CCC1=O,nitrile,hydroxyl
221070,Please substitute a halo in the molecule C[NH+](C)CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 by carboxyl.,C[NH+](C)CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1,halo,carboxyl
139011,Substitute a halo in the molecule COCCN(C)S(=O)(=O)C[C@@H](C)CCl with thiol.,COCCN(C)S(=O)(=O)C[C@@H](C)CCl,halo,thiol
72568,Please replace a halo in the molecule COc1cc(OC)c(NC(=O)N[C@@H]2CCc3c(F)cccc32)cc1F with hydroxyl.,COc1cc(OC)c(NC(=O)N[C@@H]2CCc3c(F)cccc32)cc1F,halo,hydroxyl
55278,Modify the molecule Cc1cc(O)c(C[NH+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C by substituting a hydroxyl with aldehyde.,Cc1cc(O)c(C[NH+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C,hydroxyl,aldehyde
119131,Modify the molecule O=S(=O)(N1CCOCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 by substituting a halo with hydroxyl.,O=S(=O)(N1CCOCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1,halo,hydroxyl
94995,Modify the molecule C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCc1ccc(Cl)cc1 by substituting a halo with nitrile.,C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCc1ccc(Cl)cc1,halo,nitrile
226724,Substitute a halo in the molecule Cc1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc32)c(Cl)n1 with thiol.,Cc1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc32)c(Cl)n1,halo,thiol
198889,Replace a halo in the molecule CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] by carboxyl.,CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-],halo,carboxyl
8848,Please replace a halo in the molecule COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 with aldehyde.,COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1,halo,aldehyde
85919,Modify the molecule C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 by substituting a hydroxyl with nitrile.,C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1,hydroxyl,nitrile
10774,Substitute a halo in the molecule COC1CCC(CC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1 with thiol.,COC1CCC(CC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1,halo,thiol
79665,Please replace a hydroxyl in the molecule CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 with thiol.,CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1,hydroxyl,thiol
55047,Substitute a halo in the molecule CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 with hydroxyl.,CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1,halo,hydroxyl
196446,Replace a halo in the molecule O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccc(F)cc2s1 by hydroxyl.,O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccc(F)cc2s1,halo,hydroxyl
177829,Replace a halo in the molecule CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCC by thiol.,CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCC,halo,thiol
4579,Please substitute a halo in the molecule C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H](C)CO by thiol.,C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H](C)CO,halo,thiol
16797,Please replace a halo in the molecule COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1OC with aldehyde.,COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1OC,halo,aldehyde
160792,Substitute a nitrile in the molecule N#Cc1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCC2 with thiol.,N#Cc1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCC2,nitrile,thiol
183863,Replace a nitrile in the molecule CCCO[C@@H](C)C(=O)Nc1cccc(C#N)c1 by hydroxyl.,CCCO[C@@H](C)C(=O)Nc1cccc(C#N)c1,nitrile,hydroxyl
60304,Please substitute a halo in the molecule CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1 by aldehyde.,CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1,halo,aldehyde
66723,Please replace a halo in the molecule Fc1ccc(OCCOc2ccccc2Br)cc1 with aldehyde.,Fc1ccc(OCCOc2ccccc2Br)cc1,halo,aldehyde
91894,Replace a hydroxyl in the molecule CCCNc1cc(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] by thiol.,CCCNc1cc(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-],hydroxyl,thiol
151680,Please substitute a halo in the molecule CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C[NH3+] by nitro.,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C[NH3+],halo,nitro
48220,Please replace a hydroxyl in the molecule COc1ccc(O)c(C(=O)NNC(=O)c2ccc(C)o2)c1 with halo.,COc1ccc(O)c(C(=O)NNC(=O)c2ccc(C)o2)c1,hydroxyl,halo
16745,Please substitute a halo in the molecule CC(C)S(=O)(=O)CC(=O)N1CCCc2cc(F)ccc21 by nitro.,CC(C)S(=O)(=O)CC(=O)N1CCCc2cc(F)ccc21,halo,nitro
192628,Please replace a halo in the molecule CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 with nitrile.,CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1,halo,nitrile
218930,Modify the molecule O=[P@@]([O-])(O)[C@H](O)c1ccc(-c2ccccc2)cc1 by replacing a hydroxyl by nitrile.,O=[P@@]([O-])(O)[C@H](O)c1ccc(-c2ccccc2)cc1,hydroxyl,nitrile
120993,Modify the molecule Cc1ccc(C(=O)NN(C)c2cnn(C)c(=O)c2Cl)cc1[N+](=O)[O-] by replacing a nitro by thiol.,Cc1ccc(C(=O)NN(C)c2cnn(C)c(=O)c2Cl)cc1[N+](=O)[O-],nitro,thiol
136502,Substitute a halo in the molecule CCC(CC)NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 with nitro.,CCC(CC)NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1,halo,nitro
244472,Please replace a halo in the molecule C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 with nitrile.,C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1,halo,nitrile
51761,Substitute a halo in the molecule CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)n2nc(C)cc2[nH]1)c1ccc(F)cc1 with nitrile.,CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)n2nc(C)cc2[nH]1)c1ccc(F)cc1,halo,nitrile
190799,Please replace a halo in the molecule COC(=O)c1ccsc1NC(=O)C(=O)NCCc1ccc(F)cc1C with carboxyl.,COC(=O)c1ccsc1NC(=O)C(=O)NCCc1ccc(F)cc1C,halo,carboxyl
112992,Please replace a nitrile in the molecule N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O with carboxyl.,N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O,nitrile,carboxyl
64256,Please replace a halo in the molecule O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(Cl)c(Cl)c1 with aldehyde.,O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(Cl)c(Cl)c1,halo,aldehyde
165670,Modify the molecule COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] by substituting a halo with thiol.,COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-],halo,thiol
108493,Substitute a nitro in the molecule COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 with thiol.,COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1,nitro,thiol
23980,Modify the molecule CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)C1CC1 by replacing a hydroxyl by carboxyl.,CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)C1CC1,hydroxyl,carboxyl
46120,Replace a nitro in the molecule O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=[NH+]\CCN3CC[NH2+]CC3)c2O)cc1 by thiol.,O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=[NH+]\CCN3CC[NH2+]CC3)c2O)cc1,nitro,thiol
98455,Substitute a halo in the molecule O=C(CNC(=O)c1cnc2c(c1)NC(=O)CO2)NCc1ccc(F)cc1 with thiol.,O=C(CNC(=O)c1cnc2c(c1)NC(=O)CO2)NCc1ccc(F)cc1,halo,thiol
175623,Modify the molecule CCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 by substituting a halo with nitrile.,CCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1,halo,nitrile
24136,Please substitute a halo in the molecule COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C by thiol.,COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C,halo,thiol
72873,Please replace a halo in the molecule CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2ncccc12 with nitrile.,CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2ncccc12,halo,nitrile
47828,Substitute a halo in the molecule O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 with thiol.,O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1,halo,thiol
88241,Please substitute a halo in the molecule CC(C)COc1ccc(NC(=O)c2ccsc2)cc1Cl by nitro.,CC(C)COc1ccc(NC(=O)c2ccsc2)cc1Cl,halo,nitro
227365,Please replace a halo in the molecule COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc(Cl)c1OC(C)C with hydroxyl.,COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc(Cl)c1OC(C)C,halo,hydroxyl
54347,Substitute a hydroxyl in the molecule C[C@H](C(=O)NCC(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S with aldehyde.,C[C@H](C(=O)NCC(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S,hydroxyl,aldehyde
155215,Replace a halo in the molecule COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 by aldehyde.,COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2,halo,aldehyde
167891,Substitute a halo in the molecule C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccccc1Cl with carboxyl.,C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccccc1Cl,halo,carboxyl
150364,Please substitute a halo in the molecule O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCO1 by aldehyde.,O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCO1,halo,aldehyde
207271,Modify the molecule C[NH+](C)[C@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1cccc(F)c1 by substituting a halo with aldehyde.,C[NH+](C)[C@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1cccc(F)c1,halo,aldehyde
165700,Please replace a nitrile in the molecule CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 with carboxyl.,CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1,nitrile,carboxyl
11672,Substitute a halo in the molecule O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F with nitrile.,O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F,halo,nitrile
88749,Substitute a nitrile in the molecule Cc1nnc(N2CCN(S(C)(=O)=O)CC2)c(C#N)c1C with thiol.,Cc1nnc(N2CCN(S(C)(=O)=O)CC2)c(C#N)c1C,nitrile,thiol
92609,Modify the molecule C=CCCCN(C)c1ccc2cc(C#N)ccc2n1 by substituting a nitrile with aldehyde.,C=CCCCN(C)c1ccc2cc(C#N)ccc2n1,nitrile,aldehyde
100828,Substitute a halo in the molecule CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1Cl with thiol.,CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1Cl,halo,thiol
28468,Please replace a halo in the molecule COC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 with nitro.,COC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1,halo,nitro
195826,Replace a hydroxyl in the molecule O=C(NCCCN1CCOCC1)c1csc(C#CCO)c1 by thiol.,O=C(NCCCN1CCOCC1)c1csc(C#CCO)c1,hydroxyl,thiol
60889,Substitute a halo in the molecule C[C@H]1C[C@H]([NH3+])CN(Cc2cc(F)ccc2Br)C1 with hydroxyl.,C[C@H]1C[C@H]([NH3+])CN(Cc2cc(F)ccc2Br)C1,halo,hydroxyl
247129,Modify the molecule Clc1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc2c1OCCO2 by substituting a halo with aldehyde.,Clc1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc2c1OCCO2,halo,aldehyde
173119,Substitute a halo in the molecule NS(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1 with aldehyde.,NS(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1,halo,aldehyde
153039,Modify the molecule COc1ccc(C[NH+]2CCCCC2)c(Cl)c1OC by substituting a halo with nitrile.,COc1ccc(C[NH+]2CCCCC2)c(Cl)c1OC,halo,nitrile
36255,Modify the molecule C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F by replacing a halo by thiol.,C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F,halo,thiol
144474,Modify the molecule O=C(NCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 by replacing a halo by nitro.,O=C(NCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1,halo,nitro
151274,Modify the molecule N#Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 by replacing a nitrile by aldehyde.,N#Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1,nitrile,aldehyde
93383,Please substitute a halo in the molecule CNC(=O)Cc1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2F)cc1 by nitro.,CNC(=O)Cc1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2F)cc1,halo,nitro
111964,Modify the molecule COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC by substituting a halo with carboxyl.,COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC,halo,carboxyl
236398,Modify the molecule C[C@@H]1O[C@@]1(c1ccccc1)c1ccc(F)cc1F by replacing a halo by aldehyde.,C[C@@H]1O[C@@]1(c1ccccc1)c1ccc(F)cc1F,halo,aldehyde
155417,Replace a halo in the molecule CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 by hydroxyl.,CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,halo,hydroxyl
30047,Modify the molecule C[NH2+][C@@H](Cc1c(F)cccc1F)c1ccc(OC)cc1Cl by replacing a halo by thiol.,C[NH2+][C@@H](Cc1c(F)cccc1F)c1ccc(OC)cc1Cl,halo,thiol
138858,Replace a halo in the molecule O=c1ccc(I)cn1Cc1ccccc1 by aldehyde.,O=c1ccc(I)cn1Cc1ccccc1,halo,aldehyde
207316,Modify the molecule CSc1nc2ncc(C#N)c([O-])c2s1 by substituting a nitrile with thiol.,CSc1nc2ncc(C#N)c([O-])c2s1,nitrile,thiol
182540,Modify the molecule CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2 by substituting a nitro with halo.,CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2,nitro,halo
5364,Substitute a halo in the molecule Cc1c([C@H]2CCC[NH+]2Cc2cc(C(F)(F)F)ccc2F)cnn1C with hydroxyl.,Cc1c([C@H]2CCC[NH+]2Cc2cc(C(F)(F)F)ccc2F)cnn1C,halo,hydroxyl
210926,Modify the molecule C[C@@H](CC(=O)N(C)c1ccc(Cl)cn1)c1cccc(F)c1 by replacing a halo by nitrile.,C[C@@H](CC(=O)N(C)c1ccc(Cl)cn1)c1cccc(F)c1,halo,nitrile
184425,Please substitute a halo in the molecule CCOC(=O)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 by nitrile.,CCOC(=O)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,halo,nitrile
204277,Modify the molecule CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 by substituting a halo with nitro.,CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1,halo,nitro
39729,Replace a halo in the molecule C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(O)(C(F)(F)F)CC1 by hydroxyl.,C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(O)(C(F)(F)F)CC1,halo,hydroxyl
159655,Substitute a nitro in the molecule CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2 with aldehyde.,CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2,nitro,aldehyde
80026,Replace a halo in the molecule Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2cccc(F)c2)c1 by carboxyl.,Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2cccc(F)c2)c1,halo,carboxyl
41435,Modify the molecule O=c1c2ccsc2ncn1Cc1c(F)cccc1Br by substituting a halo with aldehyde.,O=c1c2ccsc2ncn1Cc1c(F)cccc1Br,halo,aldehyde
64025,Substitute a hydroxyl in the molecule COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)cc1OC with nitrile.,COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)cc1OC,hydroxyl,nitrile
138463,Substitute a hydroxyl in the molecule O=C(NC[C@H](O)c1ccccc1F)Nc1ccc2c(c1)OCCO2 with aldehyde.,O=C(NC[C@H](O)c1ccccc1F)Nc1ccc2c(c1)OCCO2,hydroxyl,aldehyde
69697,Modify the molecule CCOC(=O)[C@@H]1NNC(C(=O)[C@]2(C)CO2)=C1c1cccc([N+](=O)[O-])c1 by replacing a nitro by halo.,CCOC(=O)[C@@H]1NNC(C(=O)[C@]2(C)CO2)=C1c1cccc([N+](=O)[O-])c1,nitro,halo
209200,Substitute a halo in the molecule COc1ccc(/C=C(/CBr)C(C)C)c(Cl)c1OC with hydroxyl.,COc1ccc(/C=C(/CBr)C(C)C)c(Cl)c1OC,halo,hydroxyl
102553,Please substitute a halo in the molecule CS(=O)(=O)Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1F by nitro.,CS(=O)(=O)Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1F,halo,nitro
69195,Modify the molecule COc1ccc(OC)c(NC(=O)C(=O)NC[C@@]2(O)CCOc3ccccc32)c1 by substituting a hydroxyl with nitro.,COc1ccc(OC)c(NC(=O)C(=O)NC[C@@]2(O)CCOc3ccccc32)c1,hydroxyl,nitro
220924,Modify the molecule CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 by substituting a halo with hydroxyl.,CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1,halo,hydroxyl
113282,Modify the molecule CC[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 by substituting a halo with nitrile.,CC[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,halo,nitrile
76797,Please substitute a halo in the molecule CC(=O)NCCSc1ccc(Br)cc1N by nitro.,CC(=O)NCCSc1ccc(Br)cc1N,halo,nitro
242209,Modify the molecule C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CSC(=O)N1 by replacing a halo by thiol.,C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CSC(=O)N1,halo,thiol
13936,Please substitute a nitrile in the molecule COc1cc(Br)c(O[C@@H](C)C#N)cc1Br by halo.,COc1cc(Br)c(O[C@@H](C)C#N)cc1Br,nitrile,halo
25468,Modify the molecule COc1cc(NC(=O)Cc2c(F)cccc2F)cc(OC)c1OC by substituting a halo with aldehyde.,COc1cc(NC(=O)Cc2c(F)cccc2F)cc(OC)c1OC,halo,aldehyde
191036,Please substitute a halo in the molecule CCn1/c(=N/C(=O)[C@@H](C)COC)[nH]c2cc(Cl)ccc21 by thiol.,CCn1/c(=N/C(=O)[C@@H](C)COC)[nH]c2cc(Cl)ccc21,halo,thiol
90965,Substitute a halo in the molecule O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 with thiol.,O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1,halo,thiol
237280,Please replace a halo in the molecule Cc1cc(Cl)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1 with thiol.,Cc1cc(Cl)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1,halo,thiol
26020,Modify the molecule CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O by substituting a nitro with aldehyde.,CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O,nitro,aldehyde
39035,Please substitute a halo in the molecule CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl by thiol.,CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl,halo,thiol
39681,Please replace a halo in the molecule N#C[C@H](c1ccc(Br)cc1)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 with hydroxyl.,N#C[C@H](c1ccc(Br)cc1)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1,halo,hydroxyl
206066,Please substitute a halo in the molecule CCCOc1cncc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1 by hydroxyl.,CCCOc1cncc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1,halo,hydroxyl
9571,Modify the molecule CN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)[O-])s1 by replacing a hydroxyl by aldehyde.,CN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)[O-])s1,hydroxyl,aldehyde
72946,Please substitute a nitrile in the molecule CCOC(=O)C[C@@H](C)N1CCO[C@H](C#N)C1 by halo.,CCOC(=O)C[C@@H](C)N1CCO[C@H](C#N)C1,nitrile,halo
28862,Please replace a nitro in the molecule CSCc1ccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 with carboxyl.,CSCc1ccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1,nitro,carboxyl
58957,Substitute a halo in the molecule O=C(NC1CCCCCCC1)c1ccccc1SC(F)F with nitro.,O=C(NC1CCCCCCC1)c1ccccc1SC(F)F,halo,nitro
29916,Replace a nitro in the molecule NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 by halo.,NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,nitro,halo
238461,Substitute a hydroxyl in the molecule Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 with halo.,Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1,hydroxyl,halo
51227,Please substitute a halo in the molecule COc1cc(F)ccc1S(=O)(=O)NCCC1=c2cccc(Cl)c2=[NH+][C@H]1C by nitrile.,COc1cc(F)ccc1S(=O)(=O)NCCC1=c2cccc(Cl)c2=[NH+][C@H]1C,halo,nitrile
2990,Modify the molecule O=C(Nc1ccccc1Cl)c1c[nH]c2nccc(Cl)c12 by substituting a halo with thiol.,O=C(Nc1ccccc1Cl)c1c[nH]c2nccc(Cl)c12,halo,thiol
71890,Please substitute a halo in the molecule O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1ccc(Cl)cc1 by thiol.,O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1ccc(Cl)cc1,halo,thiol
147150,Please substitute a halo in the molecule Cc1ccc(S/C=C/C(F)(F)F)cc1 by nitrile.,Cc1ccc(S/C=C/C(F)(F)F)cc1,halo,nitrile
211948,Replace a nitrile in the molecule CC[C@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1 by thiol.,CC[C@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1,nitrile,thiol
175939,Please replace a hydroxyl in the molecule O=S(=O)(N[C@H]1CCC[C@@H](O)C1)C1CC1 with nitro.,O=S(=O)(N[C@H]1CCC[C@@H](O)C1)C1CC1,hydroxyl,nitro
119849,Substitute a halo in the molecule C[C@@H](SC(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl with nitro.,C[C@@H](SC(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl,halo,nitro
181994,Modify the molecule Cc1ccn2c(C=O)c(-c3ccc(Cl)cc3)nc2c1 by replacing a aldehyde by halo.,Cc1ccn2c(C=O)c(-c3ccc(Cl)cc3)nc2c1,aldehyde,halo
198172,Substitute a halo in the molecule Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 with aldehyde.,Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1,halo,aldehyde
182824,Replace a nitro in the molecule COCc1ccccc1NCc1cccc([N+](=O)[O-])c1 by nitrile.,COCc1ccccc1NCc1cccc([N+](=O)[O-])c1,nitro,nitrile
212071,Substitute a halo in the molecule CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 with carboxyl.,CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1,halo,carboxyl
89986,Modify the molecule Cc1cc(NC(=O)c2cccc3c2OCCO3)nc2nc(C(F)(F)F)nn12 by substituting a halo with hydroxyl.,Cc1cc(NC(=O)c2cccc3c2OCCO3)nc2nc(C(F)(F)F)nn12,halo,hydroxyl
101407,Please substitute a nitro in the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)Cc1cccc2ccccc12 by hydroxyl.,Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)Cc1cccc2ccccc12,nitro,hydroxyl
136704,Modify the molecule Cc1cccn(Cc2c(Cl)cccc2Cl)c1=O by substituting a halo with nitrile.,Cc1cccn(Cc2c(Cl)cccc2Cl)c1=O,halo,nitrile
13085,Modify the molecule O=C(c1ccc(Br)nc1)N1CCC[C@H]1c1cccnc1 by substituting a halo with nitrile.,O=C(c1ccc(Br)nc1)N1CCC[C@H]1c1cccnc1,halo,nitrile
187764,Modify the molecule COc1ccc(N2C(=S)CO[C@@H]2c2ccc(Br)cc2)cc1 by replacing a halo by carboxyl.,COc1ccc(N2C(=S)CO[C@@H]2c2ccc(Br)cc2)cc1,halo,carboxyl
30228,Please replace a nitro in the molecule CC[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCC1 with aldehyde.,CC[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCC1,nitro,aldehyde
247775,Modify the molecule CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 by replacing a halo by aldehyde.,CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1,halo,aldehyde
160992,Replace a hydroxyl in the molecule CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C by nitrile.,CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C,hydroxyl,nitrile
105011,Modify the molecule Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)no1 by replacing a halo by hydroxyl.,Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)no1,halo,hydroxyl
112685,Please replace a halo in the molecule Cc1ccc(/C=C/CC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1 with nitrile.,Cc1ccc(/C=C/CC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1,halo,nitrile
163912,Substitute a hydroxyl in the molecule CC[C@@H](CO)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 with nitro.,CC[C@@H](CO)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1,hydroxyl,nitro
82851,Please substitute a nitrile in the molecule N#Cc1c(NC(=O)CC[NH+]2CCC(NC(N)=O)CC2)sc2c1CCC2 by carboxyl.,N#Cc1c(NC(=O)CC[NH+]2CCC(NC(N)=O)CC2)sc2c1CCC2,nitrile,carboxyl
38761,Modify the molecule C[C@@H](CCCl)C[NH2+]C[C@@H]1CSc2ccccc21 by substituting a halo with thiol.,C[C@@H](CCCl)C[NH2+]C[C@@H]1CSc2ccccc21,halo,thiol
171542,Replace a halo in the molecule CC[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1nc(C)cs1 by carboxyl.,CC[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1nc(C)cs1,halo,carboxyl
109800,Substitute a halo in the molecule C[C@@H]1C[C@H]1c1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)o1 with thiol.,C[C@@H]1C[C@H]1c1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)o1,halo,thiol
149621,Replace a hydroxyl in the molecule CCc1ccc(O)c(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 by aldehyde.,CCc1ccc(O)c(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1,hydroxyl,aldehyde
98710,Replace a halo in the molecule O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 by aldehyde.,O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)OCO2,halo,aldehyde
99154,Replace a halo in the molecule C[C@H]1C[NH+]2CCC[C@@H]2CN1CC[C@@H](C)CCCl by nitro.,C[C@H]1C[NH+]2CCC[C@@H]2CN1CC[C@@H](C)CCCl,halo,nitro
66952,Modify the molecule Nc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1 by substituting a halo with thiol.,Nc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1,halo,thiol
141851,Modify the molecule N/C(=N\OC(=O)c1cccc(Br)c1)c1ccncc1 by substituting a halo with nitrile.,N/C(=N\OC(=O)c1cccc(Br)c1)c1ccncc1,halo,nitrile
243577,Please replace a nitrile in the molecule Cc1nc(N2CCCC2)cc([C@H]2CCCN(c3cccc(C#N)n3)C2)[nH+]1 with carboxyl.,Cc1nc(N2CCCC2)cc([C@H]2CCCN(c3cccc(C#N)n3)C2)[nH+]1,nitrile,carboxyl
82071,Replace a hydroxyl in the molecule O=c1[nH]c2ccccc2cc1CNC[C@@H](O)c1ccc(F)cc1F by aldehyde.,O=c1[nH]c2ccccc2cc1CNC[C@@H](O)c1ccc(F)cc1F,hydroxyl,aldehyde
176576,Substitute a hydroxyl in the molecule COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)c1 with carboxyl.,COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)c1,hydroxyl,carboxyl
44492,Replace a halo in the molecule Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1F by carboxyl.,Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1F,halo,carboxyl
186488,Substitute a halo in the molecule N/C(N[C@H]1C[C@H]1c1cccc(Cl)c1)=[NH+]\C1CC1 with thiol.,N/C(N[C@H]1C[C@H]1c1cccc(Cl)c1)=[NH+]\C1CC1,halo,thiol
11778,Please replace a nitro in the molecule O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 with halo.,O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1,nitro,halo
209424,Replace a hydroxyl in the molecule CSCc1nc2ccccc2n1CC(=O)N(C)C[C@@H](O)C1CC1 by nitro.,CSCc1nc2ccccc2n1CC(=O)N(C)C[C@@H](O)C1CC1,hydroxyl,nitro
95320,Please substitute a halo in the molecule CCN(C)c1cccc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)c1 by nitrile.,CCN(C)c1cccc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)c1,halo,nitrile
222332,Modify the molecule Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)cc1F by substituting a halo with thiol.,Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)cc1F,halo,thiol
184664,Modify the molecule CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 by replacing a hydroxyl by nitro.,CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1,hydroxyl,nitro
216401,Substitute a halo in the molecule CNc1cc(C)ccc1C(=O)Nc1ccc(F)c(F)c1 with carboxyl.,CNc1cc(C)ccc1C(=O)Nc1ccc(F)c(F)c1,halo,carboxyl
62853,Please substitute a aldehyde in the molecule O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 by thiol.,O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1,aldehyde,thiol
60744,Substitute a hydroxyl in the molecule C[C@@H](CO)CSc1ccnc(C(=O)NCc2ccccc2)c1 with nitrile.,C[C@@H](CO)CSc1ccnc(C(=O)NCc2ccccc2)c1,hydroxyl,nitrile
166375,Modify the molecule Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3Cl)c(=O)c12 by substituting a halo with nitrile.,Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3Cl)c(=O)c12,halo,nitrile
131247,Modify the molecule OCC[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1 by replacing a halo by nitrile.,OCC[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1,halo,nitrile
102341,Replace a halo in the molecule O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@@H]1c1ccc(F)cc1 by nitrile.,O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@@H]1c1ccc(F)cc1,halo,nitrile
161451,Modify the molecule COC[C@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 by replacing a halo by thiol.,COC[C@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1,halo,thiol
53639,Modify the molecule CC[C@](C)(C(=O)[O-])[C@@H]1CCC[C@@H]1O by replacing a hydroxyl by halo.,CC[C@](C)(C(=O)[O-])[C@@H]1CCC[C@@H]1O,hydroxyl,halo
167825,Please replace a nitrile in the molecule N#CCc1cccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 with aldehyde.,N#CCc1cccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1,nitrile,aldehyde
119008,Replace a halo in the molecule CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 by nitro.,CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1,halo,nitro
223749,Modify the molecule CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 by replacing a halo by thiol.,CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Br)s1,halo,thiol
240017,Modify the molecule CC1=C(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)[C@@H](C)N=N1 by replacing a halo by nitrile.,CC1=C(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)[C@@H](C)N=N1,halo,nitrile
128694,Modify the molecule O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 by replacing a halo by aldehyde.,O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1,halo,aldehyde
95878,Substitute a halo in the molecule COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1 with thiol.,COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1,halo,thiol
162665,Please substitute a halo in the molecule O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 by carboxyl.,O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,halo,carboxyl
235208,Modify the molecule CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 by replacing a hydroxyl by halo.,CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1,hydroxyl,halo
220832,Replace a halo in the molecule N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)NCc1ccccc1 by carboxyl.,N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)NCc1ccccc1,halo,carboxyl
215926,Substitute a halo in the molecule O=C(Oc1ccc(F)cc1Cl)c1cnc2ccccn2c1=O with hydroxyl.,O=C(Oc1ccc(F)cc1Cl)c1cnc2ccccn2c1=O,halo,hydroxyl
25132,Replace a halo in the molecule COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] by nitrile.,COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCCC[C@@H]1[NH3+],halo,nitrile
221370,Please replace a nitrile in the molecule N#Cc1cc(NCCc2n[nH]c(=O)[nH]2)nc2ccc(Cl)cc12 with nitro.,N#Cc1cc(NCCc2n[nH]c(=O)[nH]2)nc2ccc(Cl)cc12,nitrile,nitro
216097,Substitute a halo in the molecule CC[C@@](C)([C@@H](N)c1c(F)cccc1F)[NH+](C)C with hydroxyl.,CC[C@@](C)([C@@H](N)c1c(F)cccc1F)[NH+](C)C,halo,hydroxyl
156843,Substitute a halo in the molecule CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 with hydroxyl.,CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1,halo,hydroxyl
186809,Replace a nitro in the molecule C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] by thiol.,C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-],nitro,thiol
13512,Substitute a halo in the molecule CN(C(=O)Nc1ccccc1I)C1CCCCC1 with nitro.,CN(C(=O)Nc1ccccc1I)C1CCCCC1,halo,nitro
240839,Modify the molecule C[NH+](Cc1ccc(Cl)s1)[C@@H]1CCc2cc(N)ccc21 by substituting a halo with carboxyl.,C[NH+](Cc1ccc(Cl)s1)[C@@H]1CCc2cc(N)ccc21,halo,carboxyl
249015,Replace a halo in the molecule CCc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 by nitrile.,CCc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1,halo,nitrile
172626,Modify the molecule O[C@@H](CN1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1 by substituting a halo with aldehyde.,O[C@@H](CN1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1,halo,aldehyde
100408,Replace a halo in the molecule COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 by carboxyl.,COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,halo,carboxyl
229804,Modify the molecule COc1ccc2cc(CN3C[C@@H](CO)OC[C@@H]3C)ccc2c1 by substituting a hydroxyl with halo.,COc1ccc2cc(CN3C[C@@H](CO)OC[C@@H]3C)ccc2c1,hydroxyl,halo
73007,Modify the molecule COC(=O)c1cncc(C(=O)NC[C@H](O)C2CCCC2)c1 by replacing a hydroxyl by nitrile.,COC(=O)c1cncc(C(=O)NC[C@H](O)C2CCCC2)c1,hydroxyl,nitrile
96658,Modify the molecule C[C@@H]1CN(c2cc(CNc3ccc([N+](=O)[O-])cc3)cc[nH+]2)CCO1 by replacing a nitro by aldehyde.,C[C@@H]1CN(c2cc(CNc3ccc([N+](=O)[O-])cc3)cc[nH+]2)CCO1,nitro,aldehyde
194222,Substitute a halo in the molecule COc1cc(F)c([C@@H](C)NC(=O)Nc2cnccc2C)cc1OC with nitrile.,COc1cc(F)c([C@@H](C)NC(=O)Nc2cnccc2C)cc1OC,halo,nitrile
243364,Modify the molecule CCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 by replacing a halo by aldehyde.,CCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1,halo,aldehyde
151975,Replace a halo in the molecule [NH3+][C@H](CC(=O)[O-])c1ccccc1Br by aldehyde.,[NH3+][C@H](CC(=O)[O-])c1ccccc1Br,halo,aldehyde
180472,Modify the molecule C=CCC[C@H](C)[NH+](C)CC(=O)Nc1cc(F)cc(F)c1 by replacing a halo by thiol.,C=CCC[C@H](C)[NH+](C)CC(=O)Nc1cc(F)cc(F)c1,halo,thiol
112357,Substitute a halo in the molecule Nc1c(Nc2cccc(Cl)c2)ncnc1N1CCCCCC1 with carboxyl.,Nc1c(Nc2cccc(Cl)c2)ncnc1N1CCCCCC1,halo,carboxyl
200721,Substitute a halo in the molecule CC(=O)Nc1cc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)c(F)cc1F with nitro.,CC(=O)Nc1cc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)c(F)cc1F,halo,nitro
19928,Modify the molecule COc1cc2c(cc1F)nc(CCl)n2Cc1cscc1C by replacing a halo by nitro.,COc1cc2c(cc1F)nc(CCl)n2Cc1cscc1C,halo,nitro
72884,Please replace a halo in the molecule Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc2c(c1)OCCO2 with thiol.,Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc2c(c1)OCCO2,halo,thiol
211855,Please substitute a halo in the molecule O=C(CCc1ccc(Cl)cc1Cl)OCc1ccccn1 by aldehyde.,O=C(CCc1ccc(Cl)cc1Cl)OCc1ccccn1,halo,aldehyde
203001,Modify the molecule N#C[C@@H](NC(=O)N1CCCCC1)C1CCCCC1 by substituting a nitrile with halo.,N#C[C@@H](NC(=O)N1CCCCC1)C1CCCCC1,nitrile,halo
240396,Substitute a nitrile in the molecule Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1 with aldehyde.,Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1,nitrile,aldehyde
120545,Modify the molecule Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1 by replacing a halo by nitrile.,Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1,halo,nitrile
85711,Replace a halo in the molecule CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 by aldehyde.,CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1,halo,aldehyde
174295,Please replace a halo in the molecule O=C(CCCCl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 with nitrile.,O=C(CCCCl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1,halo,nitrile
12814,Substitute a hydroxyl in the molecule C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1 with thiol.,C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1,hydroxyl,thiol
226050,Modify the molecule Cn1c(=O)ccn(CC(=O)NC2(c3ccc(F)cc3F)CCCC2)c1=O by replacing a halo by hydroxyl.,Cn1c(=O)ccn(CC(=O)NC2(c3ccc(F)cc3F)CCCC2)c1=O,halo,hydroxyl
238338,Please replace a halo in the molecule Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCc1cc(F)ccc1F with nitrile.,Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCc1cc(F)ccc1F,halo,nitrile
188390,Modify the molecule Cn1ncnc1C[NH2+]C/C=C/c1ccc(C#N)cc1 by replacing a nitrile by aldehyde.,Cn1ncnc1C[NH2+]C/C=C/c1ccc(C#N)cc1,nitrile,aldehyde
42953,Modify the molecule O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] by replacing a halo by nitrile.,O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-],halo,nitrile
152730,Substitute a halo in the molecule CC[NH+](CC)CCN1C2=[NH+][C@H](c3ccc(Cl)cc3)CN2c2ccccc21 with nitrile.,CC[NH+](CC)CCN1C2=[NH+][C@H](c3ccc(Cl)cc3)CN2c2ccccc21,halo,nitrile
151303,Substitute a halo in the molecule CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(F)c(F)c1 with aldehyde.,CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(F)c(F)c1,halo,aldehyde
113826,Modify the molecule COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(F)c1 by substituting a halo with nitro.,COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(F)c1,halo,nitro
34272,Please replace a nitro in the molecule O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCCCC1 with aldehyde.,O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCCCC1,nitro,aldehyde
68758,Please substitute a nitro in the molecule C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 by aldehyde.,C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1,nitro,aldehyde
202902,Modify the molecule C[C@@H](OC(=O)C(C)(C)F)c1cccc(C#N)c1 by substituting a halo with aldehyde.,C[C@@H](OC(=O)C(C)(C)F)c1cccc(C#N)c1,halo,aldehyde
237084,Modify the molecule CCOC(=O)c1nc(CC)oc1NC(=O)/C=C/c1cncc(F)c1 by substituting a halo with aldehyde.,CCOC(=O)c1nc(CC)oc1NC(=O)/C=C/c1cncc(F)c1,halo,aldehyde
73167,Please replace a halo in the molecule COc1ccc(-c2cc3nc(CCNC(=O)c4ccccc4F)nn3cn2)cc1 with aldehyde.,COc1ccc(-c2cc3nc(CCNC(=O)c4ccccc4F)nn3cn2)cc1,halo,aldehyde
114647,Modify the molecule CC[C@@H](CO)[NH+]1CCN([C@@H](C)c2cc(F)ccc2F)CC1 by substituting a hydroxyl with nitrile.,CC[C@@H](CO)[NH+]1CCN([C@@H](C)c2cc(F)ccc2F)CC1,hydroxyl,nitrile
103025,Please replace a halo in the molecule Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)C[C@@H]1CCCO1 with hydroxyl.,Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)C[C@@H]1CCCO1,halo,hydroxyl
240661,Modify the molecule C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 by substituting a halo with nitrile.,C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1,halo,nitrile
206569,Substitute a halo in the molecule Fc1ccccc1[C@@H]1CN(Cc2cnn3c2NCCC3)CCO1 with thiol.,Fc1ccccc1[C@@H]1CN(Cc2cnn3c2NCCC3)CCO1,halo,thiol
47756,Please replace a halo in the molecule COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1 with nitrile.,COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1,halo,nitrile
133195,Substitute a hydroxyl in the molecule O[C@H](C[NH2+]CC[C@@H]1C=Nc2ccccc21)Cn1c2ccccc2c2ccccc21 with aldehyde.,O[C@H](C[NH2+]CC[C@@H]1C=Nc2ccccc21)Cn1c2ccccc2c2ccccc21,hydroxyl,aldehyde
63639,Please replace a nitrile in the molecule N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1 with aldehyde.,N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1,nitrile,aldehyde
248733,Modify the molecule O=C(NCCc1ccc(F)cc1)NCc1cn2ccsc2n1 by substituting a halo with carboxyl.,O=C(NCCc1ccc(F)cc1)NCc1cn2ccsc2n1,halo,carboxyl
185109,Modify the molecule CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C(C)(C)C by replacing a halo by nitro.,CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C(C)(C)C,halo,nitro
18388,Modify the molecule Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O by replacing a halo by nitro.,Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O,halo,nitro
159926,Modify the molecule C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O by substituting a halo with carboxyl.,C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O,halo,carboxyl
240772,Modify the molecule C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccccc1F by replacing a halo by carboxyl.,C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccccc1F,halo,carboxyl
220630,Substitute a nitro in the molecule Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] with thiol.,Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-],nitro,thiol
212182,Modify the molecule CC(C)C1CCC(C#N)([C@@]2(O)CC[C@H](C)[C@@H](C)C2)CC1 by substituting a hydroxyl with nitrile.,CC(C)C1CCC(C#N)([C@@]2(O)CC[C@H](C)[C@@H](C)C2)CC1,hydroxyl,nitrile
190455,Please substitute a halo in the molecule CC/C(Cc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C by nitrile.,CC/C(Cc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C,halo,nitrile
91884,Modify the molecule O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1 by replacing a halo by thiol.,O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1,halo,thiol
152462,Replace a halo in the molecule CNC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ncccc23)c1 by nitro.,CNC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ncccc23)c1,halo,nitro
215040,Please replace a halo in the molecule C[C@H]1CCC[C@@H](S[C@H](F)C(=O)[O-])C1 with aldehyde.,C[C@H]1CCC[C@@H](S[C@H](F)C(=O)[O-])C1,halo,aldehyde
68837,Modify the molecule O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 by substituting a hydroxyl with nitro.,O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1,hydroxyl,nitro
33404,Replace a nitrile in the molecule CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2)c(C#N)c1C by halo.,CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2)c(C#N)c1C,nitrile,halo
58513,Please replace a nitro in the molecule C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3o2)CC[C@H]1C with thiol.,C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3o2)CC[C@H]1C,nitro,thiol
158727,Modify the molecule Fc1ccccc1-c1cnnc(NCCc2cscn2)n1 by substituting a halo with nitro.,Fc1ccccc1-c1cnnc(NCCc2cscn2)n1,halo,nitro
24059,Replace a halo in the molecule Cc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@@H]2c2ccc(I)cc2)cc1 by aldehyde.,Cc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@@H]2c2ccc(I)cc2)cc1,halo,aldehyde
107219,Replace a hydroxyl in the molecule O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 by nitro.,O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc2c(c1)C(=O)CCC2,hydroxyl,nitro
75557,Please replace a halo in the molecule [NH3+][C@@H](c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F with thiol.,[NH3+][C@@H](c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F,halo,thiol
165595,Please substitute a halo in the molecule C#Cc1cc(F)c(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c(F)c1 by thiol.,C#Cc1cc(F)c(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c(F)c1,halo,thiol
121218,Substitute a halo in the molecule NC(=O)CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 with nitro.,NC(=O)CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1,halo,nitro
126406,Modify the molecule Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C by replacing a nitrile by hydroxyl.,Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C,nitrile,hydroxyl
199588,Modify the molecule CCN(CCCl)C(=O)c1csc(I)c1 by substituting a halo with carboxyl.,CCN(CCCl)C(=O)c1csc(I)c1,halo,carboxyl
5264,Please replace a hydroxyl in the molecule CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)O with carboxyl.,CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)O,hydroxyl,carboxyl
237934,Modify the molecule CC(C)c1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(F)cc2)cc1 by replacing a halo by hydroxyl.,CC(C)c1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(F)cc2)cc1,halo,hydroxyl
210511,Please replace a halo in the molecule CCc1nc([C@H](C)NC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)cs1 with nitrile.,CCc1nc([C@H](C)NC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)cs1,halo,nitrile
246131,Replace a nitro in the molecule O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 by hydroxyl.,O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1,nitro,hydroxyl
12364,Please substitute a halo in the molecule O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 by carboxyl.,O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1,halo,carboxyl
80648,Please replace a halo in the molecule Nc1ccc(C(F)(F)F)cc1C(=O)NCC1CCCC1 with thiol.,Nc1ccc(C(F)(F)F)cc1C(=O)NCC1CCCC1,halo,thiol
120504,Substitute a carboxyl in the molecule COC(=O)c1ccc(NC(=O)C2CCN(C(=O)O)CC2)cc1 with nitrile.,COC(=O)c1ccc(NC(=O)C2CCN(C(=O)O)CC2)cc1,carboxyl,nitrile
136380,Modify the molecule O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 by substituting a hydroxyl with thiol.,O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1,hydroxyl,thiol
92770,Substitute a halo in the molecule O=C(CSCc1ccc(C(=O)[O-])cc1)Nc1ccc(Cl)cc1 with aldehyde.,O=C(CSCc1ccc(C(=O)[O-])cc1)Nc1ccc(Cl)cc1,halo,aldehyde
231479,Please substitute a hydroxyl in the molecule Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1 by halo.,Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1,hydroxyl,halo
35678,Modify the molecule CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(F)cc2)C1 by substituting a halo with thiol.,CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(F)cc2)C1,halo,thiol
213131,Please substitute a hydroxyl in the molecule C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@@H](O)[C@H]12 by carboxyl.,C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@@H](O)[C@H]12,hydroxyl,carboxyl
95436,Modify the molecule CC[NH+]1CCN(CCNC(=O)/C=C/c2ccc(OC)c(F)c2)CC1 by replacing a halo by nitrile.,CC[NH+]1CCN(CCNC(=O)/C=C/c2ccc(OC)c(F)c2)CC1,halo,nitrile
12218,Modify the molecule COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 by replacing a halo by carboxyl.,COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1,halo,carboxyl
177920,Please substitute a halo in the molecule Cc1ccc2cccc(C(=O)Nc3cc(C(N)=O)c(F)cc3F)c2n1 by aldehyde.,Cc1ccc2cccc(C(=O)Nc3cc(C(N)=O)c(F)cc3F)c2n1,halo,aldehyde
1094,Replace a halo in the molecule CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)CC1 by nitro.,CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)CC1,halo,nitro
186185,Modify the molecule C[C@H]1CCC[C@@](O)(C[NH2+][C@@H]2CCCC2(C)C)C1 by substituting a hydroxyl with halo.,C[C@H]1CCC[C@@](O)(C[NH2+][C@@H]2CCCC2(C)C)C1,hydroxyl,halo
124737,Please substitute a halo in the molecule O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1 by nitrile.,O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1,halo,nitrile
153514,Modify the molecule COCCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[NH+]2C by substituting a halo with hydroxyl.,COCCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[NH+]2C,halo,hydroxyl
212127,Modify the molecule CC(C)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C2CCCC2)C1=O by substituting a halo with thiol.,CC(C)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C2CCCC2)C1=O,halo,thiol
194833,Replace a halo in the molecule COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C by carboxyl.,COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C,halo,carboxyl
137966,Modify the molecule C[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[C@H]1CO by replacing a hydroxyl by nitrile.,C[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[C@H]1CO,hydroxyl,nitrile
196719,Modify the molecule O=C(Nc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 by substituting a halo with nitro.,O=C(Nc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1,halo,nitro
93142,Modify the molecule N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 by replacing a halo by carboxyl.,N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1,halo,carboxyl
219891,Please substitute a halo in the molecule O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc(Br)cc1 by nitrile.,O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc(Br)cc1,halo,nitrile
115610,Replace a halo in the molecule CC(C)[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1Cl by nitrile.,CC(C)[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1Cl,halo,nitrile
119973,Modify the molecule CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 by substituting a halo with hydroxyl.,CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1,halo,hydroxyl
228709,Modify the molecule O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccccc2Cl)c1O by substituting a halo with nitrile.,O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccccc2Cl)c1O,halo,nitrile
30982,Please replace a halo in the molecule O=S(=O)(c1ccc(SCc2ccccc2C(F)(F)F)nc1)N1CCCCC1 with thiol.,O=S(=O)(c1ccc(SCc2ccccc2C(F)(F)F)nc1)N1CCCCC1,halo,thiol
97794,Please replace a nitrile in the molecule CCCn1ncnc1C[C@]1(C#N)CCCC(C)(C)C1=O with halo.,CCCn1ncnc1C[C@]1(C#N)CCCC(C)(C)C1=O,nitrile,halo
80157,Please replace a halo in the molecule COc1ccc(CC[NH2+]Cc2ccccc2F)cc1 with carboxyl.,COc1ccc(CC[NH2+]Cc2ccccc2F)cc1,halo,carboxyl
205187,Please substitute a halo in the molecule Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N by nitrile.,Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N,halo,nitrile
56066,Replace a hydroxyl in the molecule COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O by aldehyde.,COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O,hydroxyl,aldehyde
77335,Substitute a halo in the molecule O=C(NCc1cc(-c2cccs2)on1)c1ccc(Cl)cc1Cl with nitro.,O=C(NCc1cc(-c2cccs2)on1)c1ccc(Cl)cc1Cl,halo,nitro
242422,Substitute a halo in the molecule CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(COc2ccc(F)cc2)n1N with thiol.,CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(COc2ccc(F)cc2)n1N,halo,thiol
174551,Please replace a halo in the molecule C[C@@H]1OCC[C@H]1C(=O)Nc1ncccc1Br with carboxyl.,C[C@@H]1OCC[C@H]1C(=O)Nc1ncccc1Br,halo,carboxyl
242456,Modify the molecule O=C(C1CCCCC1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1 by substituting a halo with nitrile.,O=C(C1CCCCC1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1,halo,nitrile
84809,Replace a nitro in the molecule CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 by thiol.,CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1,nitro,thiol
50738,Please substitute a hydroxyl in the molecule CCC(CC)NC(=O)[C@H](C)Nc1cccc(CO)c1 by nitro.,CCC(CC)NC(=O)[C@H](C)Nc1cccc(CO)c1,hydroxyl,nitro
11029,Substitute a halo in the molecule O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 with thiol.,O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1,halo,thiol
101140,Modify the molecule CCOC(=O)c1cccc(N2CCc3sc(Br)cc3C2)n1 by substituting a halo with hydroxyl.,CCOC(=O)c1cccc(N2CCc3sc(Br)cc3C2)n1,halo,hydroxyl
142834,Replace a halo in the molecule CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 by nitro.,CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1,halo,nitro
223077,Modify the molecule C[NH+](CCCc1n[nH]c(N)c1C#N)Cc1cc(Cl)ccc1Cl by substituting a nitrile with aldehyde.,C[NH+](CCCc1n[nH]c(N)c1C#N)Cc1cc(Cl)ccc1Cl,nitrile,aldehyde
63735,Substitute a halo in the molecule CCOC(=O)c1nn(-c2cc(Cl)ccc2Cl)cc1C=O with aldehyde.,CCOC(=O)c1nn(-c2cc(Cl)ccc2Cl)cc1C=O,halo,aldehyde
242483,Substitute a nitro in the molecule C[C@@H]1CCCCN1c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] with halo.,C[C@@H]1CCCCN1c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-],nitro,halo
200385,Substitute a halo in the molecule CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 with aldehyde.,CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1,halo,aldehyde
171579,Modify the molecule Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl by replacing a halo by carboxyl.,Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl,halo,carboxyl
118789,Modify the molecule O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1OCC(F)(F)F by replacing a nitro by aldehyde.,O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1OCC(F)(F)F,nitro,aldehyde
61936,Please substitute a nitrile in the molecule COC[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 by aldehyde.,COC[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1,nitrile,aldehyde
202428,Substitute a halo in the molecule O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc(F)c(F)c1F with hydroxyl.,O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc(F)c(F)c1F,halo,hydroxyl
192723,Please substitute a nitrile in the molecule Cc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1 by halo.,Cc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1,nitrile,halo
162209,Replace a halo in the molecule O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1C(F)(F)F by nitro.,O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1C(F)(F)F,halo,nitro
176768,Modify the molecule Cc1cc(C)nc(N(C)Cc2ccc(O)cc2)n1 by substituting a hydroxyl with halo.,Cc1cc(C)nc(N(C)Cc2ccc(O)cc2)n1,hydroxyl,halo
220256,Modify the molecule O=C([O-])CCCCCn1cc(Cl)c(I)n1 by replacing a halo by nitro.,O=C([O-])CCCCCn1cc(Cl)c(I)n1,halo,nitro
211252,Modify the molecule Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] by replacing a nitro by halo.,Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-],nitro,halo
23718,Modify the molecule CC(C)NC(=O)[C@]12CC[C@](C)(/C(=N/O)C1=O)C2(C)C by substituting a hydroxyl with aldehyde.,CC(C)NC(=O)[C@]12CC[C@](C)(/C(=N/O)C1=O)C2(C)C,hydroxyl,aldehyde
123242,Modify the molecule O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 by substituting a halo with nitro.,O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1,halo,nitro
136498,Replace a halo in the molecule N[C@]1(C(=O)[O-])CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 by nitrile.,N[C@]1(C(=O)[O-])CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1,halo,nitrile
160498,Modify the molecule CCn1ccnc1C[NH+]1CCC[C@H](CCc2ccccc2F)C1 by replacing a halo by thiol.,CCn1ccnc1C[NH+]1CCC[C@H](CCc2ccccc2F)C1,halo,thiol
23507,Substitute a hydroxyl in the molecule O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)C1CC1 with aldehyde.,O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)C1CC1,hydroxyl,aldehyde
79247,Substitute a halo in the molecule COC(=O)c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 with carboxyl.,COC(=O)c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1,halo,carboxyl
78770,Substitute a hydroxyl in the molecule O=c1c2c3c(sc2nc(SCCO)n1Cc1ccco1)CCCC3 with aldehyde.,O=c1c2c3c(sc2nc(SCCO)n1Cc1ccco1)CCCC3,hydroxyl,aldehyde
244868,Modify the molecule COC(=O)[C@@H]1C[C@@H](O)CN1Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1 by substituting a hydroxyl with halo.,COC(=O)[C@@H]1C[C@@H](O)CN1Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1,hydroxyl,halo
107374,Replace a halo in the molecule O=c1ccc(-c2ccccc2F)nn1C[NH+]1CCC[C@@H]1Cc1ccccc1 by carboxyl.,O=c1ccc(-c2ccccc2F)nn1C[NH+]1CCC[C@@H]1Cc1ccccc1,halo,carboxyl
213846,Modify the molecule C[C@@H]1CCC[C@@](CO)(Nc2ccc(Cl)c(Br)c2)C1 by substituting a halo with aldehyde.,C[C@@H]1CCC[C@@](CO)(Nc2ccc(Cl)c(Br)c2)C1,halo,aldehyde
208045,Replace a hydroxyl in the molecule C[C@H](O)C1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 by carboxyl.,C[C@H](O)C1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1,hydroxyl,carboxyl
20280,Replace a halo in the molecule CCOc1c(F)cccc1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 by nitrile.,CCOc1c(F)cccc1C(=O)N(C)Cc1ccc(C(=O)NC)cc1,halo,nitrile
90911,Please replace a halo in the molecule O=C(NCc1ccccc1-n1ccnc1)c1cnc2ccc(F)cc2c1 with aldehyde.,O=C(NCc1ccccc1-n1ccnc1)c1cnc2ccc(F)cc2c1,halo,aldehyde
106604,Please replace a halo in the molecule O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 with aldehyde.,O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1,halo,aldehyde
100642,Please replace a nitro in the molecule O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C1CC1 with carboxyl.,O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C1CC1,nitro,carboxyl
115683,Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C by replacing a nitrile by nitro.,Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C,nitrile,nitro
29252,Substitute a halo in the molecule FC(F)(Cl)C(F)(F)C(F)(F)Cl with nitrile.,FC(F)(Cl)C(F)(F)C(F)(F)Cl,halo,nitrile
93996,Substitute a halo in the molecule O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O with hydroxyl.,O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O,halo,hydroxyl
55716,Modify the molecule N#C[C@@H]1CN(Cc2coc3ccccc23)CCO1 by substituting a nitrile with aldehyde.,N#C[C@@H]1CN(Cc2coc3ccccc23)CCO1,nitrile,aldehyde
178050,Modify the molecule Cc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1[NH+]1CCCC1 by replacing a nitro by halo.,Cc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1[NH+]1CCCC1,nitro,halo
57459,Modify the molecule O=C(Nc1ccccc1I)c1csc2c1CCCC2 by replacing a halo by thiol.,O=C(Nc1ccccc1I)c1csc2c1CCCC2,halo,thiol
66367,Modify the molecule O=C(C[NH2+]Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 by replacing a nitro by hydroxyl.,O=C(C[NH2+]Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1,nitro,hydroxyl
64110,Modify the molecule COCCOc1ncccc1C(=O)Nc1nc2c(cc1C#N)CCC2 by replacing a nitrile by nitro.,COCCOc1ncccc1C(=O)Nc1nc2c(cc1C#N)CCC2,nitrile,nitro
165563,Replace a halo in the molecule COc1c(C(=O)NCc2ccc(C)cc2)sc2ccc(F)cc12 by nitro.,COc1c(C(=O)NCc2ccc(C)cc2)sc2ccc(F)cc12,halo,nitro
49545,Modify the molecule Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 by substituting a halo with nitrile.,Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1,halo,nitrile
54017,Please substitute a halo in the molecule Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)C[NH+]3CCCC3)c2c1 by nitro.,Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)C[NH+]3CCCC3)c2c1,halo,nitro
21364,Modify the molecule Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3F)o2)s1 by replacing a halo by hydroxyl.,Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3F)o2)s1,halo,hydroxyl
42052,Substitute a halo in the molecule COC(=O)c1cnc(N(C(=O)c2sc(Cl)nc2C)C2CC2)s1 with nitro.,COC(=O)c1cnc(N(C(=O)c2sc(Cl)nc2C)C2CC2)s1,halo,nitro
218488,Substitute a hydroxyl in the molecule CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(C)C with halo.,CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(C)C,hydroxyl,halo
68618,Replace a halo in the molecule COc1ccc([C@@H](O)[C@H](C)NC(=O)c2c(F)cccc2F)cc1 by carboxyl.,COc1ccc([C@@H](O)[C@H](C)NC(=O)c2c(F)cccc2F)cc1,halo,carboxyl
100353,Modify the molecule Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)no1 by substituting a hydroxyl with nitrile.,Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)no1,hydroxyl,nitrile
82101,Please substitute a halo in the molecule C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O by carboxyl.,C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O,halo,carboxyl
108288,Replace a halo in the molecule CC[C@H]1C[NH+]2CCCC[C@@H]2CN1c1cccc(Cl)c1C by hydroxyl.,CC[C@H]1C[NH+]2CCCC[C@@H]2CN1c1cccc(Cl)c1C,halo,hydroxyl
161603,Modify the molecule Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 by substituting a halo with nitrile.,Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12,halo,nitrile
50121,Replace a halo in the molecule CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F by carboxyl.,CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F,halo,carboxyl
32647,Modify the molecule Cc1nc2nc(NC(=O)C3CCCCC3)nn2c(C)c1Cl by substituting a halo with thiol.,Cc1nc2nc(NC(=O)C3CCCCC3)nn2c(C)c1Cl,halo,thiol
199401,Please replace a halo in the molecule CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@H]1C with thiol.,CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@H]1C,halo,thiol
93727,Modify the molecule C[C@@H](c1ccc2c(c1)OCCO2)c1nc(Cc2ccc(F)cc2)no1 by substituting a halo with nitro.,C[C@@H](c1ccc2c(c1)OCCO2)c1nc(Cc2ccc(F)cc2)no1,halo,nitro
194861,Substitute a halo in the molecule O=C(CCc1nncn1-c1ccccc1)NCc1cc(F)ccc1F with nitro.,O=C(CCc1nncn1-c1ccccc1)NCc1cc(F)ccc1F,halo,nitro
192440,Substitute a hydroxyl in the molecule CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1 with carboxyl.,CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1,hydroxyl,carboxyl
39553,Substitute a halo in the molecule CN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)c(F)c1 with nitro.,CN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)c(F)c1,halo,nitro
72953,Please substitute a halo in the molecule COc1cc(C[NH+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc(OC)c1 by hydroxyl.,COc1cc(C[NH+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc(OC)c1,halo,hydroxyl
155666,Modify the molecule Cc1cc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 by replacing a nitro by carboxyl.,Cc1cc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1,nitro,carboxyl
233289,Substitute a nitro in the molecule COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 with carboxyl.,COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2,nitro,carboxyl
217688,Replace a nitrile in the molecule N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2cc(CN3CCOCC3)cs2)[C@H]2CCCC=C12 by thiol.,N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2cc(CN3CCOCC3)cs2)[C@H]2CCCC=C12,nitrile,thiol
46182,Please replace a halo in the molecule COc1ccc(Br)cc1CNC(=O)CCN1CCCC1=O with carboxyl.,COc1ccc(Br)cc1CNC(=O)CCN1CCCC1=O,halo,carboxyl
27222,Modify the molecule CCOc1ccc(F)c(C(=O)NC2(c3noc(C)n3)CCC2)c1F by substituting a halo with thiol.,CCOc1ccc(F)c(C(=O)NC2(c3noc(C)n3)CCC2)c1F,halo,thiol
37396,Modify the molecule CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 by replacing a halo by nitro.,CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1,halo,nitro
180170,Modify the molecule C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C[C@H]1O by replacing a hydroxyl by aldehyde.,C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C[C@H]1O,hydroxyl,aldehyde
42183,Replace a halo in the molecule Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)Cn2cccn2)s1 by thiol.,Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)Cn2cccn2)s1,halo,thiol
198982,Modify the molecule Cc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 by replacing a halo by aldehyde.,Cc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)Oc2ccccc2)CC1,halo,aldehyde
129743,Please substitute a hydroxyl in the molecule C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C1CC1 by aldehyde.,C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C1CC1,hydroxyl,aldehyde
146527,Modify the molecule O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 by substituting a halo with nitro.,O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1,halo,nitro
90159,Please replace a halo in the molecule COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 with hydroxyl.,COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1,halo,hydroxyl
247099,Replace a halo in the molecule FC(F)CN1C[C@@H](C2CCCCC2)[NH2+]Cc2ccccc21 by hydroxyl.,FC(F)CN1C[C@@H](C2CCCCC2)[NH2+]Cc2ccccc21,halo,hydroxyl
142010,Substitute a halo in the molecule Cc1ccc2oc(=O)c(CC(=O)c3ccc(F)cc3)nc2c1 with hydroxyl.,Cc1ccc2oc(=O)c(CC(=O)c3ccc(F)cc3)nc2c1,halo,hydroxyl
105003,Modify the molecule Cn1ncnc1NC(=O)NCc1ccc([N+](=O)[O-])cc1 by replacing a nitro by carboxyl.,Cn1ncnc1NC(=O)NCc1ccc([N+](=O)[O-])cc1,nitro,carboxyl
216790,Replace a halo in the molecule Cc1cnc2nc(-c3cc(F)c(F)cc3C(=O)[O-])[nH]c2c1 by thiol.,Cc1cnc2nc(-c3cc(F)c(F)cc3C(=O)[O-])[nH]c2c1,halo,thiol
141244,Modify the molecule COc1ccccc1[C@H](NC[C@@](C)(O)c1ccco1)C1CCCC1 by replacing a hydroxyl by thiol.,COc1ccccc1[C@H](NC[C@@](C)(O)c1ccco1)C1CCCC1,hydroxyl,thiol
200949,Modify the molecule COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 by replacing a halo by nitrile.,COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1,halo,nitrile
111067,Substitute a halo in the molecule CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(Br)n1 with hydroxyl.,CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(Br)n1,halo,hydroxyl
99039,Please replace a halo in the molecule C[C@H]1CN(C(=O)C2CCN(c3ncccc3F)CC2)C[C@H](C)O1 with carboxyl.,C[C@H]1CN(C(=O)C2CCN(c3ncccc3F)CC2)C[C@H](C)O1,halo,carboxyl
72026,Replace a nitro in the molecule C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 by nitrile.,C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1,nitro,nitrile
182304,Substitute a nitro in the molecule Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)c1 with aldehyde.,Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)c1,nitro,aldehyde
103645,Modify the molecule COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1Cl by substituting a halo with nitrile.,COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1Cl,halo,nitrile
55208,Substitute a halo in the molecule C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1 with thiol.,C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1,halo,thiol
125822,Substitute a halo in the molecule O=C(c1cc2cccc(Br)c2o1)N1CC[C@H](O)C1 with nitrile.,O=C(c1cc2cccc(Br)c2o1)N1CC[C@H](O)C1,halo,nitrile
160996,Please replace a hydroxyl in the molecule CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSC(C)C with nitro.,CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSC(C)C,hydroxyl,nitro
39890,Please replace a halo in the molecule CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1 with hydroxyl.,CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1,halo,hydroxyl
218753,Please replace a halo in the molecule O=C(Nc1cc2c(cc1Cl)OCCO2)[C@H]1CCCc2ccccc21 with carboxyl.,O=C(Nc1cc2c(cc1Cl)OCCO2)[C@H]1CCCc2ccccc21,halo,carboxyl
93870,Replace a hydroxyl in the molecule CCc1nc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)cs1 by carboxyl.,CCc1nc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)cs1,hydroxyl,carboxyl
60194,Modify the molecule CNc1nnc(C2=NO[C@H](CNc3[nH+]cc(C(F)(F)F)cc3Cl)C2)s1 by substituting a halo with hydroxyl.,CNc1nnc(C2=NO[C@H](CNc3[nH+]cc(C(F)(F)F)cc3Cl)C2)s1,halo,hydroxyl
74843,Replace a halo in the molecule CC(=O)Nc1cc(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)c(F)cc1F by carboxyl.,CC(=O)Nc1cc(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)c(F)cc1F,halo,carboxyl
212343,Please substitute a nitrile in the molecule CCC1(C(=O)[C@H](C#N)c2cccc(C)c2)CCCC1 by halo.,CCC1(C(=O)[C@H](C#N)c2cccc(C)c2)CCCC1,nitrile,halo
170444,Replace a halo in the molecule CN(C)[C@H](CNCc1ccc(F)cc1F)c1ccccc1 by nitro.,CN(C)[C@H](CNCc1ccc(F)cc1F)c1ccccc1,halo,nitro
4898,Replace a hydroxyl in the molecule COC(=O)N1CCN(Cc2cc(C)ccc2O)CC1 by halo.,COC(=O)N1CCN(Cc2cc(C)ccc2O)CC1,hydroxyl,halo
47796,Modify the molecule N#Cc1nc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1Cl by substituting a halo with hydroxyl.,N#Cc1nc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1Cl,halo,hydroxyl
187170,Please replace a halo in the molecule CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c2n1 with aldehyde.,CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c2n1,halo,aldehyde
236107,Modify the molecule CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(Br)cc1F by replacing a halo by nitro.,CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(Br)cc1F,halo,nitro
35885,Substitute a halo in the molecule Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(C)o1 with thiol.,Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(C)o1,halo,thiol
129314,Modify the molecule CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(I)cc2)c1 by replacing a halo by nitro.,CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(I)cc2)c1,halo,nitro
58691,Please replace a halo in the molecule O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 with hydroxyl.,O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1,halo,hydroxyl
193193,Modify the molecule COc1cccc(NC(=O)CC[S@](=O)Cc2cccc(F)c2)c1 by substituting a halo with nitrile.,COc1cccc(NC(=O)CC[S@](=O)Cc2cccc(F)c2)c1,halo,nitrile
232019,Substitute a hydroxyl in the molecule O=C(NCCc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 with nitro.,O=C(NCCc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1,hydroxyl,nitro
170601,Modify the molecule CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccccc1[N+](=O)[O-] by replacing a nitro by halo.,CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccccc1[N+](=O)[O-],nitro,halo
143832,Modify the molecule O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc[nH]1 by replacing a halo by aldehyde.,O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc[nH]1,halo,aldehyde
133455,Substitute a halo in the molecule CC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 with hydroxyl.,CC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1,halo,hydroxyl
143925,Please replace a halo in the molecule C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(N)=O with nitrile.,C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(N)=O,halo,nitrile
106193,Modify the molecule Cc1nc(C(C)C)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 by substituting a halo with thiol.,Cc1nc(C(C)C)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1,halo,thiol
27929,Replace a nitrile in the molecule N#Cc1cccc(NC(=O)c2cc(Cl)nc(Cl)n2)c1 by aldehyde.,N#Cc1cccc(NC(=O)c2cc(Cl)nc(Cl)n2)c1,nitrile,aldehyde
170657,Please substitute a halo in the molecule COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl by aldehyde.,COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl,halo,aldehyde
214698,Please substitute a halo in the molecule CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)c1cccnc1 by aldehyde.,CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)c1cccnc1,halo,aldehyde
144557,Modify the molecule CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C by replacing a hydroxyl by nitro.,CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C,hydroxyl,nitro
51212,Please substitute a halo in the molecule Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1 by thiol.,Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1,halo,thiol
189766,Modify the molecule CCCn1cc[nH+]c1CCC[C@H](C)Cl by replacing a halo by hydroxyl.,CCCn1cc[nH+]c1CCC[C@H](C)Cl,halo,hydroxyl
52089,Modify the molecule Cc1nn(CC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)c1[N+](=O)[O-] by replacing a nitro by halo.,Cc1nn(CC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)c1[N+](=O)[O-],nitro,halo
26951,Replace a hydroxyl in the molecule OCCSc1nc(-c2ccccc2)cs1 by halo.,OCCSc1nc(-c2ccccc2)cs1,hydroxyl,halo
188676,Please replace a halo in the molecule CC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C with carboxyl.,CC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C,halo,carboxyl
3333,Please substitute a halo in the molecule COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 by carboxyl.,COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1,halo,carboxyl
120691,Replace a halo in the molecule CCC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1 by hydroxyl.,CCC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1,halo,hydroxyl
214404,Modify the molecule Cc1c(Sc2ncn(-c3ccccc3)n2)cc(C#N)cc1[N+](=O)[O-] by substituting a nitrile with hydroxyl.,Cc1c(Sc2ncn(-c3ccccc3)n2)cc(C#N)cc1[N+](=O)[O-],nitrile,hydroxyl
38974,Modify the molecule Cc1ccc2[nH]cc(CCNC(=O)c3ccc(F)cc3)c2c1 by replacing a halo by aldehyde.,Cc1ccc2[nH]cc(CCNC(=O)c3ccc(F)cc3)c2c1,halo,aldehyde
84372,Please substitute a halo in the molecule O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Oc2cnccn2)c1 by nitro.,O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Oc2cnccn2)c1,halo,nitro
182575,Modify the molecule Cc1cc(N[C@@H](CO)c2ccc(Cl)c(F)c2)ncn1 by replacing a hydroxyl by thiol.,Cc1cc(N[C@@H](CO)c2ccc(Cl)c(F)c2)ncn1,hydroxyl,thiol
43832,Modify the molecule CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 by replacing a halo by nitro.,CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3ccccc3F)CC2)n1,halo,nitro
218235,Please replace a halo in the molecule Cc1nn(CC(=O)N2CCN(Cc3cccnc3)CC2)c(C)c1Cl with aldehyde.,Cc1nn(CC(=O)N2CCN(Cc3cccnc3)CC2)c(C)c1Cl,halo,aldehyde
55592,Substitute a halo in the molecule CCOc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cn1 with nitrile.,CCOc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cn1,halo,nitrile
41358,Please replace a hydroxyl in the molecule O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)N1CCOCC1 with halo.,O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)N1CCOCC1,hydroxyl,halo
62276,Modify the molecule O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(F)cc1 by replacing a halo by carboxyl.,O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(F)cc1,halo,carboxyl
249349,Modify the molecule Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 by substituting a nitro with thiol.,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1,nitro,thiol
67124,Please replace a halo in the molecule COc1ccccc1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 with carboxyl.,COc1ccccc1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1,halo,carboxyl
188770,Replace a halo in the molecule Cc1ccc(-c2ocnc2C(=O)Nc2cc(Cl)c(Cl)cn2)cc1 by aldehyde.,Cc1ccc(-c2ocnc2C(=O)Nc2cc(Cl)c(Cl)cn2)cc1,halo,aldehyde
183622,Modify the molecule C[C@@H](CNC(=O)N(C)Cc1cccs1)Oc1ccccc1F by replacing a halo by thiol.,C[C@@H](CNC(=O)N(C)Cc1cccs1)Oc1ccccc1F,halo,thiol
133087,Substitute a hydroxyl in the molecule C[C@@H]1CN(C[C@H](O)Cc2ccccc2)C(C)(C)CO1 with carboxyl.,C[C@@H]1CN(C[C@H](O)Cc2ccccc2)C(C)(C)CO1,hydroxyl,carboxyl
4113,Please substitute a halo in the molecule O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)Nc1ccc(Cl)cc1F by carboxyl.,O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)Nc1ccc(Cl)cc1F,halo,carboxyl
43835,Modify the molecule C[NH+](CCC#N)CC(=O)Nc1ccc(Cl)cc1 by substituting a halo with carboxyl.,C[NH+](CCC#N)CC(=O)Nc1ccc(Cl)cc1,halo,carboxyl
156151,Modify the molecule CCCc1ccc(NC(=O)CN2CCN(c3cc(Cl)ncn3)CC2)cc1 by replacing a halo by nitro.,CCCc1ccc(NC(=O)CN2CCN(c3cc(Cl)ncn3)CC2)cc1,halo,nitro
237630,Modify the molecule O=C(CN1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 by substituting a halo with hydroxyl.,O=C(CN1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,halo,hydroxyl
231716,Modify the molecule CC(C)[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1 by substituting a halo with thiol.,CC(C)[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1,halo,thiol
199974,Please substitute a halo in the molecule CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1N)C1CC1 by carboxyl.,CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1N)C1CC1,halo,carboxyl
63014,Please replace a hydroxyl in the molecule CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCC[C@H](C)C1 with carboxyl.,CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCC[C@H](C)C1,hydroxyl,carboxyl
187254,Modify the molecule COc1cc(C[NH+]2CC[C@H](CO)C2)ccc1OC(=O)C1CC1 by substituting a hydroxyl with thiol.,COc1cc(C[NH+]2CC[C@H](CO)C2)ccc1OC(=O)C1CC1,hydroxyl,thiol
211228,Please substitute a halo in the molecule COC(=O)c1cc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c[nH]1 by thiol.,COC(=O)c1cc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c[nH]1,halo,thiol
29657,Substitute a hydroxyl in the molecule CC(C)Oc1ccc([C@H](O)[C@@H](F)C(=O)[O-])cc1 with nitro.,CC(C)Oc1ccc([C@H](O)[C@@H](F)C(=O)[O-])cc1,hydroxyl,nitro
222287,Modify the molecule CCCCCn1c(=O)oc(=O)c2cc(Cl)ccc21 by substituting a halo with thiol.,CCCCCn1c(=O)oc(=O)c2cc(Cl)ccc21,halo,thiol
69422,Please replace a hydroxyl in the molecule CN1CCO[C@H](C[NH2+]C[C@H](O)CO)C1 with carboxyl.,CN1CCO[C@H](C[NH2+]C[C@H](O)CO)C1,hydroxyl,carboxyl
70340,Modify the molecule NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl by substituting a halo with carboxyl.,NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl,halo,carboxyl
175266,Substitute a halo in the molecule COc1ccc(N2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1F with nitro.,COc1ccc(N2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1F,halo,nitro
188773,Substitute a hydroxyl in the molecule Cc1cc(S(=O)(=O)NCC(C)(C)CCO)sc1C with aldehyde.,Cc1cc(S(=O)(=O)NCC(C)(C)CCO)sc1C,hydroxyl,aldehyde
77053,Substitute a halo in the molecule COc1c(F)cc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1F with carboxyl.,COc1c(F)cc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1F,halo,carboxyl
35059,Please substitute a nitrile in the molecule N#Cc1cccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 by carboxyl.,N#Cc1cccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1,nitrile,carboxyl
66731,Please replace a hydroxyl in the molecule CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 with thiol.,CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1,hydroxyl,thiol
133043,Substitute a halo in the molecule C[C@H]1[NH2+]CC[C@H]1CNCc1cc(Br)cs1 with nitrile.,C[C@H]1[NH2+]CC[C@H]1CNCc1cc(Br)cs1,halo,nitrile
39741,Modify the molecule N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 by substituting a nitrile with aldehyde.,N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1,nitrile,aldehyde
242161,Replace a halo in the molecule CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1 by nitrile.,CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1,halo,nitrile
67,Please replace a halo in the molecule Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)c2C)no1 with thiol.,Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)c2C)no1,halo,thiol
221888,Modify the molecule CCC[C@H](CS)CSCc1ccco1 by substituting a thiol with halo.,CCC[C@H](CS)CSCc1ccco1,thiol,halo
99438,Modify the molecule CCc1nc(C(=O)N2CC[C@H](C)C[C@@H]2C)nn1-c1ccccc1Cl by substituting a halo with hydroxyl.,CCc1nc(C(=O)N2CC[C@H](C)C[C@@H]2C)nn1-c1ccccc1Cl,halo,hydroxyl
32502,Replace a halo in the molecule Cc1nc(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc1C by nitro.,Cc1nc(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc1C,halo,nitro
173047,Replace a halo in the molecule Fc1cccc(SCCCNc2ccccc2)c1 by nitrile.,Fc1cccc(SCCCNc2ccccc2)c1,halo,nitrile
139069,Substitute a nitro in the molecule CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 with hydroxyl.,CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1,nitro,hydroxyl
175165,Modify the molecule O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 by replacing a halo by thiol.,O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1,halo,thiol
198649,Replace a halo in the molecule CON(C)C(=O)COc1ccc(F)cc1 by nitrile.,CON(C)C(=O)COc1ccc(F)cc1,halo,nitrile
120624,Substitute a halo in the molecule CC(=O)Nc1ccc(CNC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 with carboxyl.,CC(=O)Nc1ccc(CNC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1,halo,carboxyl
204529,Modify the molecule N#Cc1cnc2ccccc2c1N[C@@H]1c2ccccc2C[C@H]1O by substituting a hydroxyl with thiol.,N#Cc1cnc2ccccc2c1N[C@@H]1c2ccccc2C[C@H]1O,hydroxyl,thiol
46501,Modify the molecule O=C1[C@@H](N[C@H]2CCOc3ccccc32)CCN1c1ccc(Cl)c(F)c1 by substituting a halo with aldehyde.,O=C1[C@@H](N[C@H]2CCOc3ccccc32)CCN1c1ccc(Cl)c(F)c1,halo,aldehyde
70678,Modify the molecule CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)[C@@H](C)c1ccc(F)cc1 by replacing a halo by nitrile.,CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)[C@@H](C)c1ccc(F)cc1,halo,nitrile
208947,Please replace a nitro in the molecule CC[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc([N+](=O)[O-])c1 with carboxyl.,CC[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc([N+](=O)[O-])c1,nitro,carboxyl
18394,Please substitute a hydroxyl in the molecule O=C(Nc1ccnn1C1CCCCC1)N[C@@H](CO)c1ccccc1 by aldehyde.,O=C(Nc1ccnn1C1CCCCC1)N[C@@H](CO)c1ccccc1,hydroxyl,aldehyde
189654,Modify the molecule COC[C@H](Nc1snc(C)c1C#N)C(C)C by replacing a nitrile by hydroxyl.,COC[C@H](Nc1snc(C)c1C#N)C(C)C,nitrile,hydroxyl
116541,Modify the molecule CCc1cc(C[C@@H](C[NH2+]C)c2ccccc2F)n(C)n1 by replacing a halo by hydroxyl.,CCc1cc(C[C@@H](C[NH2+]C)c2ccccc2F)n(C)n1,halo,hydroxyl
234818,Modify the molecule CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1 by replacing a halo by nitro.,CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1,halo,nitro
88801,Modify the molecule O=C(CCS(=O)(=O)c1cccc(F)c1)NC1CC1 by substituting a halo with hydroxyl.,O=C(CCS(=O)(=O)c1cccc(F)c1)NC1CC1,halo,hydroxyl
97109,Please replace a halo in the molecule C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1 with thiol.,C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1,halo,thiol
224155,Replace a halo in the molecule C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1 by hydroxyl.,C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1,halo,hydroxyl
112596,Substitute a hydroxyl in the molecule CS(=O)(=O)[N-]c1ccc(O)c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 with nitrile.,CS(=O)(=O)[N-]c1ccc(O)c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1,hydroxyl,nitrile
52911,Modify the molecule COC(=O)c1ncccc1N1CC[C@H](C)[C@@H](O)C1 by replacing a hydroxyl by aldehyde.,COC(=O)c1ncccc1N1CC[C@H](C)[C@@H](O)C1,hydroxyl,aldehyde
150301,Please replace a halo in the molecule CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 with hydroxyl.,CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1,halo,hydroxyl
248022,Modify the molecule COc1ccccc1C(=O)NC(=S)NCc1ccc(Cl)cc1Cl by substituting a halo with carboxyl.,COc1ccccc1C(=O)NC(=S)NCc1ccc(Cl)cc1Cl,halo,carboxyl
234276,Substitute a halo in the molecule COC(=O)[C@H]1[NH+]=c2ccc(Cl)cc2=C1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1 with carboxyl.,COC(=O)[C@H]1[NH+]=c2ccc(Cl)cc2=C1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@H](C)C1,halo,carboxyl
229066,Replace a hydroxyl in the molecule C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)O by nitrile.,C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)O,hydroxyl,nitrile
103518,Please substitute a halo in the molecule CCc1nn(C)c(C[C@@H]([NH3+])[C@@](C)(CC)N(C)C)c1Cl by thiol.,CCc1nn(C)c(C[C@@H]([NH3+])[C@@](C)(CC)N(C)C)c1Cl,halo,thiol
82475,Modify the molecule CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCn1ccccc1=O by replacing a halo by hydroxyl.,CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCn1ccccc1=O,halo,hydroxyl
244353,Substitute a hydroxyl in the molecule Cc1c[nH]c(C[NH+]2CCCC[C@@H]2CCc2cccc(O)c2)c(C)c1=O with aldehyde.,Cc1c[nH]c(C[NH+]2CCCC[C@@H]2CCc2cccc(O)c2)c(C)c1=O,hydroxyl,aldehyde
124152,Please replace a nitro in the molecule O=[N+]([O-])c1cnc(Cl)nc1NCc1ccccc1 with nitrile.,O=[N+]([O-])c1cnc(Cl)nc1NCc1ccccc1,nitro,nitrile
63366,Modify the molecule CC[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1ccccc1O by substituting a hydroxyl with carboxyl.,CC[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1ccccc1O,hydroxyl,carboxyl
7158,Substitute a halo in the molecule [NH3+][C@H](Cc1cccc(F)c1F)c1cc(Cl)sc1Cl with nitrile.,[NH3+][C@H](Cc1cccc(F)c1F)c1cc(Cl)sc1Cl,halo,nitrile
52360,Substitute a halo in the molecule CNC(=O)c1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)cc1 with nitrile.,CNC(=O)c1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)cc1,halo,nitrile
205534,Please substitute a halo in the molecule Cc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2C)C(=O)[C@@H]1C by thiol.,Cc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2C)C(=O)[C@@H]1C,halo,thiol
106277,Please replace a halo in the molecule Cn1ncc2c(C(=O)Nc3ccc(Br)cc3F)cc(-c3ccccc3)nc21 with thiol.,Cn1ncc2c(C(=O)Nc3ccc(Br)cc3F)cc(-c3ccccc3)nc21,halo,thiol
134141,Modify the molecule CS(=O)(=O)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 by replacing a nitro by hydroxyl.,CS(=O)(=O)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1,nitro,hydroxyl
128206,Please replace a halo in the molecule C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cc(C#N)ccc1F with nitrile.,C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1cc(C#N)ccc1F,halo,nitrile
49152,Modify the molecule CCn1c(NS(=O)(=O)c2cnn(C)c2)nc2cc(Cl)ccc21 by replacing a halo by thiol.,CCn1c(NS(=O)(=O)c2cnn(C)c2)nc2cc(Cl)ccc21,halo,thiol
227544,Replace a halo in the molecule CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)[O-] by carboxyl.,CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)[O-],halo,carboxyl
44981,Please replace a nitrile in the molecule Cn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)c1ccccc1F with carboxyl.,Cn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)c1ccccc1F,nitrile,carboxyl
228370,Replace a nitrile in the molecule CSc1sc(C#N)c2c1/C(=N\OC(=O)c1ccccc1Cl)CCC2 by thiol.,CSc1sc(C#N)c2c1/C(=N\OC(=O)c1ccccc1Cl)CCC2,nitrile,thiol
166976,Modify the molecule CN(C)C(=O)c1ccc(N[C@H]2CCC[C@@]2(C)CO)nc1 by substituting a hydroxyl with nitrile.,CN(C)C(=O)c1ccc(N[C@H]2CCC[C@@]2(C)CO)nc1,hydroxyl,nitrile
131347,Modify the molecule CCC[C@H](C)NC(=O)c1ccc(C)cc1Cl by substituting a halo with nitro.,CCC[C@H](C)NC(=O)c1ccc(C)cc1Cl,halo,nitro
116526,Please replace a hydroxyl in the molecule C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 with nitro.,C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1,hydroxyl,nitro
83456,Please substitute a halo in the molecule O=C(Nc1ccc(Cl)c(Cl)c1)OCCCc1ccncc1 by nitro.,O=C(Nc1ccc(Cl)c(Cl)c1)OCCCc1ccncc1,halo,nitro
240684,Modify the molecule Cc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1C by substituting a halo with carboxyl.,Cc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1C,halo,carboxyl
241919,Modify the molecule CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@H]1c1ccc(F)cc1 by replacing a halo by nitrile.,CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@H]1c1ccc(F)cc1,halo,nitrile
149533,Replace a halo in the molecule CC[C@@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)Oc1cccc(F)c1 by hydroxyl.,CC[C@@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)Oc1cccc(F)c1,halo,hydroxyl
182553,Replace a halo in the molecule COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1c(F)cccc1F by aldehyde.,COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1c(F)cccc1F,halo,aldehyde
58149,Replace a halo in the molecule O=C(CC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1 by thiol.,O=C(CC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1,halo,thiol
170419,Please substitute a nitro in the molecule Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 by hydroxyl.,Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1,nitro,hydroxyl
129346,Modify the molecule O=C[C@H]1CCCC[NH+]1[C@@H]1CCOC2(CCCCC2)C1 by replacing a aldehyde by nitro.,O=C[C@H]1CCCC[NH+]1[C@@H]1CCOC2(CCCCC2)C1,aldehyde,nitro
86573,Replace a nitrile in the molecule N#CCCNC(=O)CSc1nnc(NC2CC2)s1 by carboxyl.,N#CCCNC(=O)CSc1nnc(NC2CC2)s1,nitrile,carboxyl
172858,Replace a halo in the molecule C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 by aldehyde.,C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1,halo,aldehyde
98754,Modify the molecule O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@](O)(C(F)(F)F)C1 by substituting a halo with hydroxyl.,O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@](O)(C(F)(F)F)C1,halo,hydroxyl
7425,Modify the molecule CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 by replacing a nitrile by halo.,CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2,nitrile,halo
149630,Replace a halo in the molecule Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 by thiol.,Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1,halo,thiol
152724,Please replace a halo in the molecule Cc1ccc(NC(=O)CCNC(=O)NC[C@@H](O)c2ccccc2F)c(Cl)c1 with aldehyde.,Cc1ccc(NC(=O)CCNC(=O)NC[C@@H](O)c2ccccc2F)c(Cl)c1,halo,aldehyde
188932,Substitute a hydroxyl in the molecule COCC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C[C@H]1C with nitrile.,COCC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C[C@H]1C,hydroxyl,nitrile
170711,Substitute a halo in the molecule O=C(c1cnns1)N1CC=C(c2cncc(F)c2)CC1 with hydroxyl.,O=C(c1cnns1)N1CC=C(c2cncc(F)c2)CC1,halo,hydroxyl
117630,Please substitute a halo in the molecule CC(C)(C)[NH+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1F by hydroxyl.,CC(C)(C)[NH+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1F,halo,hydroxyl
202494,Please replace a halo in the molecule Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 with carboxyl.,Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1,halo,carboxyl
227742,Modify the molecule N#Cc1cc(N)c(O)cc1C#N by replacing a nitrile by hydroxyl.,N#Cc1cc(N)c(O)cc1C#N,nitrile,hydroxyl
232956,Substitute a halo in the molecule Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Br)c1 with thiol.,Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Br)c1,halo,thiol
152236,Replace a hydroxyl in the molecule C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCC1 by aldehyde.,C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCC1,hydroxyl,aldehyde
78326,Modify the molecule O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] by substituting a nitro with carboxyl.,O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-],nitro,carboxyl
241510,Modify the molecule O=C(Cc1cccc(O)c1)NNc1ccc(-c2ccccc2)nn1 by substituting a hydroxyl with nitro.,O=C(Cc1cccc(O)c1)NNc1ccc(-c2ccccc2)nn1,hydroxyl,nitro
221754,Please substitute a hydroxyl in the molecule CNC(=O)[C@H]1CCC[NH+](C[C@H](O)COCc2ccccc2)C1 by carboxyl.,CNC(=O)[C@H]1CCC[NH+](C[C@H](O)COCc2ccccc2)C1,hydroxyl,carboxyl
86810,Modify the molecule C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 by substituting a halo with nitro.,C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1,halo,nitro
118460,Please replace a halo in the molecule O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ncccn2)CC1 with aldehyde.,O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ncccn2)CC1,halo,aldehyde
223565,Modify the molecule CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccc(F)c1F by replacing a halo by nitro.,CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccc(F)c1F,halo,nitro
68732,Please substitute a halo in the molecule Clc1ccc(-c2cnc3ccc(I)cn23)cc1 by carboxyl.,Clc1ccc(-c2cnc3ccc(I)cn23)cc1,halo,carboxyl
180972,Substitute a nitro in the molecule CCc1cnc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)o1 with nitrile.,CCc1cnc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)o1,nitro,nitrile
165297,Please replace a halo in the molecule COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 with nitrile.,COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1,halo,nitrile
38496,Please replace a hydroxyl in the molecule C[C@@H](C[C@@H](O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1 with aldehyde.,C[C@@H](C[C@@H](O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1,hydroxyl,aldehyde
59701,Modify the molecule CC[C@H](O)c1ccn(C[C@H]2CCCO2)c1 by replacing a hydroxyl by thiol.,CC[C@H](O)c1ccn(C[C@H]2CCCO2)c1,hydroxyl,thiol
47503,Modify the molecule O=C(NC[C@H](O)c1ccsc1)c1cc(C2CC2)nc2ccc(F)cc12 by substituting a hydroxyl with halo.,O=C(NC[C@H](O)c1ccsc1)c1cc(C2CC2)nc2ccc(F)cc12,hydroxyl,halo
196760,Please replace a halo in the molecule O=C(NCc1cccs1)c1c(F)cc(Br)cc1F with nitro.,O=C(NCc1cccs1)c1c(F)cc(Br)cc1F,halo,nitro
62583,Modify the molecule CCOC(=O)[C@@H](F)c1cc(C)cc(C)c1 by substituting a halo with nitrile.,CCOC(=O)[C@@H](F)c1cc(C)cc(C)c1,halo,nitrile
249084,Please substitute a halo in the molecule COc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl by aldehyde.,COc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl,halo,aldehyde
79963,Replace a halo in the molecule O[C@](c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F by nitro.,O[C@](c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F,halo,nitro
145589,Substitute a halo in the molecule O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 with hydroxyl.,O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12,halo,hydroxyl
176423,Replace a hydroxyl in the molecule Cc1[nH+]ccn1CC1(O)CC[NH+](CC2CCCCC2)CC1 by halo.,Cc1[nH+]ccn1CC1(O)CC[NH+](CC2CCCCC2)CC1,hydroxyl,halo
118462,Replace a hydroxyl in the molecule C[NH+]1CCN2CCN(Cc3ccc(C#CCO)cc3)C[C@@H]2C1 by carboxyl.,C[NH+]1CCN2CCN(Cc3ccc(C#CCO)cc3)C[C@@H]2C1,hydroxyl,carboxyl
1918,Substitute a nitrile in the molecule CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 with halo.,CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1,nitrile,halo
184816,Modify the molecule O=C(NCc1cccc(Br)c1)[C@H]1Cc2[nH+]c[nH]c2CN1 by replacing a halo by carboxyl.,O=C(NCc1cccc(Br)c1)[C@H]1Cc2[nH+]c[nH]c2CN1,halo,carboxyl
70485,Please replace a nitrile in the molecule C[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C with halo.,C[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C,nitrile,halo
123811,Please substitute a nitro in the molecule C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1[O-] by halo.,C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1[O-],nitro,halo
17096,Substitute a halo in the molecule Cc1cc(F)cc([N-]S(=O)(=O)c2c[nH+]c[nH]2)c1 with aldehyde.,Cc1cc(F)cc([N-]S(=O)(=O)c2c[nH+]c[nH]2)c1,halo,aldehyde
231115,Substitute a halo in the molecule C[NH+](C)CCNC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 with aldehyde.,C[NH+](C)CCNC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1,halo,aldehyde
15177,Substitute a hydroxyl in the molecule COC[C@]1(O)CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1(C)C with aldehyde.,COC[C@]1(O)CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1(C)C,hydroxyl,aldehyde
13113,Modify the molecule O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12 by substituting a halo with aldehyde.,O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12,halo,aldehyde
65467,Please substitute a hydroxyl in the molecule COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc(OC)c1C by nitro.,COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc(OC)c1C,hydroxyl,nitro
138074,Please substitute a nitrile in the molecule N#Cc1ccccc1CO/N=C\C(=O)Nc1ccc(F)cc1F by thiol.,N#Cc1ccccc1CO/N=C\C(=O)Nc1ccc(F)cc1F,nitrile,thiol
161646,Please replace a nitrile in the molecule CC(=O)Nc1ccc(F)c(C(=O)N(C)C2(C#N)CCC2)c1 with nitro.,CC(=O)Nc1ccc(F)c(C(=O)N(C)C2(C#N)CCC2)c1,nitrile,nitro
72300,Modify the molecule COc1ccc2c(c1)[C@@H](Nc1cc(F)c(F)c(F)c1)CC2 by replacing a halo by carboxyl.,COc1ccc2c(c1)[C@@H](Nc1cc(F)c(F)c(F)c1)CC2,halo,carboxyl
64079,Modify the molecule CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 by substituting a halo with aldehyde.,CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1,halo,aldehyde
180081,Please replace a halo in the molecule CC(C)(C)[C@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1 with nitrile.,CC(C)(C)[C@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1,halo,nitrile
131901,Substitute a halo in the molecule O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCCOCC1 with thiol.,O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCCOCC1,halo,thiol
101617,Modify the molecule Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 by substituting a halo with nitro.,Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1,halo,nitro
59935,Modify the molecule COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(F)ccc3OC)C2)c1 by replacing a halo by carboxyl.,COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(F)ccc3OC)C2)c1,halo,carboxyl
150585,Modify the molecule Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)nc[nH+]c1N1CCc2ccccc21 by replacing a halo by carboxyl.,Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)nc[nH+]c1N1CCc2ccccc21,halo,carboxyl
226237,Please replace a halo in the molecule Cc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 with hydroxyl.,Cc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1,halo,hydroxyl
215699,Please replace a hydroxyl in the molecule Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O with aldehyde.,Cc1c(O)ccc2c1O/C(=C\c1ccco1)C2=O,hydroxyl,aldehyde
116110,Substitute a nitro in the molecule Cc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1C with thiol.,Cc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1C,nitro,thiol
180818,Please substitute a halo in the molecule C[NH+](CCNc1nnc(Cl)cc1C(N)=O)C1CC1 by hydroxyl.,C[NH+](CCNc1nnc(Cl)cc1C(N)=O)C1CC1,halo,hydroxyl
55075,Please replace a halo in the molecule O=C(COC1CCCC1)Nc1cccc(Cl)c1-n1cccn1 with thiol.,O=C(COC1CCCC1)Nc1cccc(Cl)c1-n1cccn1,halo,thiol
10903,Modify the molecule CCn1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 by substituting a halo with nitro.,CCn1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1,halo,nitro
3215,Please replace a nitrile in the molecule CC(C)[NH+]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1 with carboxyl.,CC(C)[NH+]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1,nitrile,carboxyl
112379,Modify the molecule O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 by replacing a halo by aldehyde.,O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1,halo,aldehyde
186450,Substitute a halo in the molecule CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1cccs1 with nitrile.,CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1cccs1,halo,nitrile
9964,Modify the molecule O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1[nH+]cccc1[O-] by replacing a nitro by hydroxyl.,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1[nH+]cccc1[O-],nitro,hydroxyl
20810,Please replace a halo in the molecule CC(C)C[C@]1(C)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O with carboxyl.,CC(C)C[C@]1(C)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O,halo,carboxyl
34069,Modify the molecule CCN[C@@]1(C#N)CCC[C@@H]([NH+]2CCC[C@H]3CCC[C@@H]32)C1 by replacing a nitrile by thiol.,CCN[C@@]1(C#N)CCC[C@@H]([NH+]2CCC[C@H]3CCC[C@@H]32)C1,nitrile,thiol
196128,Substitute a nitro in the molecule O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 with carboxyl.,O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1,nitro,carboxyl
68997,Substitute a nitro in the molecule O=C(Nc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] with carboxyl.,O=C(Nc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-],nitro,carboxyl
24558,Modify the molecule Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 by substituting a nitro with aldehyde.,Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1,nitro,aldehyde
5402,Substitute a nitrile in the molecule CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 with hydroxyl.,CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12,nitrile,hydroxyl
177179,Please substitute a halo in the molecule N#Cc1cccc(CN2C(=O)[C@@](O)(c3cccc(F)c3)c3ccccc32)c1 by nitro.,N#Cc1cccc(CN2C(=O)[C@@](O)(c3cccc(F)c3)c3ccccc32)c1,halo,nitro
43616,Modify the molecule Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] by replacing a nitro by aldehyde.,Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-],nitro,aldehyde
155124,Substitute a halo in the molecule CC[C@@H](C)N(C)C(=O)NCc1cc(F)ccc1Br with nitro.,CC[C@@H](C)N(C)C(=O)NCc1cc(F)ccc1Br,halo,nitro
155865,Substitute a halo in the molecule COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)nn1 with hydroxyl.,COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)nn1,halo,hydroxyl
186883,Substitute a nitrile in the molecule C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(F)ccc1Br with halo.,C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(F)ccc1Br,nitrile,halo
173961,Modify the molecule CCN(C[C@H](C)C#N)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C by replacing a nitrile by nitro.,CCN(C[C@H](C)C#N)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C,nitrile,nitro
188047,Replace a halo in the molecule N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(Br)s1 by nitro.,N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(Br)s1,halo,nitro
144197,Modify the molecule CN(CCCOc1cccc(Cl)c1)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 by substituting a halo with nitro.,CN(CCCOc1cccc(Cl)c1)Cc1nc2c(oc3ccccc32)c(=O)[nH]1,halo,nitro
168644,Substitute a hydroxyl in the molecule OC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 with carboxyl.,OC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1,hydroxyl,carboxyl
229691,Modify the molecule Cc1nc2cc(NC(=O)C(=O)N3CCC[C@@H](O)C3)ccc2o1 by substituting a hydroxyl with nitrile.,Cc1nc2cc(NC(=O)C(=O)N3CCC[C@@H](O)C3)ccc2o1,hydroxyl,nitrile
245231,Replace a hydroxyl in the molecule CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nncs2)C1 by carboxyl.,CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nncs2)C1,hydroxyl,carboxyl
196371,Modify the molecule COc1cc(F)c([C@@H](Br)[C@]2(C)CCCO2)c(F)c1 by replacing a halo by nitro.,COc1cc(F)c([C@@H](Br)[C@]2(C)CCCO2)c(F)c1,halo,nitro
24580,Please substitute a aldehyde in the molecule O=Cc1sc(Oc2ccccc2)nc1Cl by nitro.,O=Cc1sc(Oc2ccccc2)nc1Cl,aldehyde,nitro
18673,Replace a halo in the molecule O=c1[nH]c(-c2ccc(F)cc2)nc2ccsc12 by aldehyde.,O=c1[nH]c(-c2ccc(F)cc2)nc2ccsc12,halo,aldehyde
43893,Please substitute a hydroxyl in the molecule COc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(OC)cc32)cc1 by thiol.,COc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(OC)cc32)cc1,hydroxyl,thiol
151784,Please replace a halo in the molecule Cc1csc2nc(CNc3ccc(F)c(F)c3F)cc(=O)n12 with nitro.,Cc1csc2nc(CNc3ccc(F)c(F)c3F)cc(=O)n12,halo,nitro
77211,Substitute a halo in the molecule Cc1ccccc1Nc1ccnc2c(F)cccc12 with nitro.,Cc1ccccc1Nc1ccnc2c(F)cccc12,halo,nitro
1909,Modify the molecule Cc1nc(S(=O)(=O)NCCOc2ccc(Br)cc2)cn1C by replacing a halo by aldehyde.,Cc1nc(S(=O)(=O)NCCOc2ccc(Br)cc2)cn1C,halo,aldehyde
228129,Modify the molecule Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1 by replacing a nitrile by aldehyde.,Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1,nitrile,aldehyde
126481,Modify the molecule COCc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 by substituting a halo with nitrile.,COCc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1,halo,nitrile
209381,Modify the molecule COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1Cl by substituting a halo with nitrile.,COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1Cl,halo,nitrile
202753,Modify the molecule CN(/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 by replacing a nitro by nitrile.,CN(/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1,nitro,nitrile
220087,Please substitute a halo in the molecule Cn1ccnc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 by thiol.,Cn1ccnc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1,halo,thiol
237906,Substitute a halo in the molecule NC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1CCCCC2 with hydroxyl.,NC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1CCCCC2,halo,hydroxyl
144847,Modify the molecule Cc1ccc(F)cc1-n1nnc(C(=O)N2CCC[NH+](C)CC2)c1C by substituting a halo with aldehyde.,Cc1ccc(F)cc1-n1nnc(C(=O)N2CCC[NH+](C)CC2)c1C,halo,aldehyde
97682,Substitute a halo in the molecule C/C=C\c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1 with thiol.,C/C=C\c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1,halo,thiol
92638,Please replace a halo in the molecule Cc1ccc(O)c(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c1 with aldehyde.,Cc1ccc(O)c(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c1,halo,aldehyde
54456,Modify the molecule [S-]c1nnc(COc2ccccc2I)n1-c1ccccc1 by replacing a halo by nitro.,[S-]c1nnc(COc2ccccc2I)n1-c1ccccc1,halo,nitro
173622,Modify the molecule OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccsc2)C1 by replacing a hydroxyl by carboxyl.,OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccsc2)C1,hydroxyl,carboxyl
173938,Please substitute a halo in the molecule CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 by nitro.,CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1,halo,nitro
133437,Modify the molecule COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 by replacing a hydroxyl by halo.,COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1,hydroxyl,halo
210913,Please substitute a hydroxyl in the molecule OCCN1CC[NH+](Cc2sccc2Br)CC1 by carboxyl.,OCCN1CC[NH+](Cc2sccc2Br)CC1,hydroxyl,carboxyl
164941,Modify the molecule C[NH+]1CCN([C@@H]2CC[NH+](Cc3ccc(Cl)cc3)C[C@H]2O)CC1 by substituting a hydroxyl with halo.,C[NH+]1CCN([C@@H]2CC[NH+](Cc3ccc(Cl)cc3)C[C@H]2O)CC1,hydroxyl,halo
46794,Replace a halo in the molecule O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCc1ccccc1 by thiol.,O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCc1ccccc1,halo,thiol
2317,Please replace a hydroxyl in the molecule O[C@@H](C1CCCCCC1)[C@H]1CCO[C@]2(CCOC2)C1 with carboxyl.,O[C@@H](C1CCCCCC1)[C@H]1CCO[C@]2(CCOC2)C1,hydroxyl,carboxyl
247860,Modify the molecule NC(=[NH2+])c1ccc(OCc2cccc(O)c2)c(Cl)c1 by substituting a halo with hydroxyl.,NC(=[NH2+])c1ccc(OCc2cccc(O)c2)c(Cl)c1,halo,hydroxyl
205098,Replace a nitro in the molecule CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 by thiol.,CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1,nitro,thiol
19038,Substitute a halo in the molecule O=C(c1ccc(Br)o1)N(CCO)Cc1ccccc1 with nitrile.,O=C(c1ccc(Br)o1)N(CCO)Cc1ccccc1,halo,nitrile
149055,Please substitute a hydroxyl in the molecule CC1(C)S[C@H](c2ccccc2O)[NH2+][C@H]1C(=O)[O-] by nitrile.,CC1(C)S[C@H](c2ccccc2O)[NH2+][C@H]1C(=O)[O-],hydroxyl,nitrile
173381,Please substitute a nitro in the molecule CCC[C@@H]([NH3+])c1ccn(Cc2cccc([N+](=O)[O-])c2C)c1 by halo.,CCC[C@@H]([NH3+])c1ccn(Cc2cccc([N+](=O)[O-])c2C)c1,nitro,halo
239926,Modify the molecule C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O by substituting a halo with nitrile.,C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O,halo,nitrile
62858,Please substitute a halo in the molecule C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1C by thiol.,C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1C,halo,thiol
144177,Substitute a halo in the molecule CSCC[C@@H]1NC(=S)N(c2ccc(F)c(C(F)(F)F)c2)C1=O with nitrile.,CSCC[C@@H]1NC(=S)N(c2ccc(F)c(C(F)(F)F)c2)C1=O,halo,nitrile
158764,Replace a halo in the molecule Cc1ccc(C[NH2+]Cc2ccco2)c(F)c1 by aldehyde.,Cc1ccc(C[NH2+]Cc2ccco2)c(F)c1,halo,aldehyde
215244,Replace a halo in the molecule [NH3+]C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 by nitro.,[NH3+]C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21,halo,nitro
169697,Modify the molecule O=C(Cc1cccnc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 by replacing a halo by nitro.,O=C(Cc1cccnc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1,halo,nitro
87516,Modify the molecule CC[C@@](C)([C@H](N)Cc1cccc(O)c1)[NH+]1CCCC1 by substituting a hydroxyl with nitro.,CC[C@@](C)([C@H](N)Cc1cccc(O)c1)[NH+]1CCCC1,hydroxyl,nitro
76401,Modify the molecule COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CC[NH+](C)C2 by substituting a hydroxyl with thiol.,COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CC[NH+](C)C2,hydroxyl,thiol
104461,Substitute a halo in the molecule NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 with nitro.,NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1,halo,nitro
234913,Substitute a halo in the molecule CSC(C)(C)CNC(=O)c1cc2cccc(F)c2o1 with hydroxyl.,CSC(C)(C)CNC(=O)c1cc2cccc(F)c2o1,halo,hydroxyl
204475,Modify the molecule Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C#N)c2)c1C by substituting a nitrile with aldehyde.,Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C#N)c2)c1C,nitrile,aldehyde
149963,Please replace a halo in the molecule O=S(=O)(c1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 with nitro.,O=S(=O)(c1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1,halo,nitro
220698,Please substitute a hydroxyl in the molecule NS(=O)(=O)CCCC(=O)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 by halo.,NS(=O)(=O)CCCC(=O)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1,hydroxyl,halo
204637,Modify the molecule O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2O/C1=N\O by substituting a hydroxyl with halo.,O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2O/C1=N\O,hydroxyl,halo
62007,Please substitute a halo in the molecule O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Br)cc1 by nitro.,O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Br)cc1,halo,nitro
184783,Substitute a nitro in the molecule CCOc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 with carboxyl.,CCOc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1,nitro,carboxyl
168059,Substitute a halo in the molecule C[C@H](NC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)C(N)=O with thiol.,C[C@H](NC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)C(N)=O,halo,thiol
92481,Please substitute a nitro in the molecule CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 by hydroxyl.,CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1,nitro,hydroxyl
166637,Replace a halo in the molecule CCSc1ccc(Cl)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1 by thiol.,CCSc1ccc(Cl)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1,halo,thiol
143289,Substitute a halo in the molecule C=CCOc1ccc(Cl)cc1C[NH+]1CCC2(CC1)CNC(=O)C2 with nitrile.,C=CCOc1ccc(Cl)cc1C[NH+]1CCC2(CC1)CNC(=O)C2,halo,nitrile
44694,Modify the molecule CC[C@@](C)(C[NH3+])[C@H](O)C1CCCC1 by substituting a hydroxyl with thiol.,CC[C@@](C)(C[NH3+])[C@H](O)C1CCCC1,hydroxyl,thiol
183836,Modify the molecule O=C(c1cc(F)cc(Br)c1)c1cnccn1 by substituting a halo with nitro.,O=C(c1cc(F)cc(Br)c1)c1cnccn1,halo,nitro
33800,Modify the molecule CN(CC[NH+](C)C)C(=O)CC1(O)CCCCC1 by replacing a hydroxyl by aldehyde.,CN(CC[NH+](C)C)C(=O)CC1(O)CCCCC1,hydroxyl,aldehyde
21197,Substitute a halo in the molecule CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1CC with nitrile.,CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1CC,halo,nitrile
70068,Modify the molecule CSc1ccc([C@H](O)[C@H](C[NH3+])c2ccccc2Cl)cc1 by replacing a hydroxyl by carboxyl.,CSc1ccc([C@H](O)[C@H](C[NH3+])c2ccccc2Cl)cc1,hydroxyl,carboxyl
65597,Please substitute a nitrile in the molecule N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 by thiol.,N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1,nitrile,thiol
161699,Replace a nitro in the molecule Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1nccs1 by carboxyl.,Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1nccs1,nitro,carboxyl
58852,Substitute a hydroxyl in the molecule CC[NH2+][C@H](C)c1ccnc(N2CCC[C@H](O)C2)c1 with nitro.,CC[NH2+][C@H](C)c1ccnc(N2CCC[C@H](O)C2)c1,hydroxyl,nitro
129427,Modify the molecule COc1ccc([C@H](C)NC(=O)Nc2ccnn2C(C)C)cc1F by replacing a halo by hydroxyl.,COc1ccc([C@H](C)NC(=O)Nc2ccnn2C(C)C)cc1F,halo,hydroxyl
136974,Modify the molecule COc1cc(Br)c(NC(=O)/C=C/c2ccccc2)cc1OC by substituting a halo with hydroxyl.,COc1cc(Br)c(NC(=O)/C=C/c2ccccc2)cc1OC,halo,hydroxyl
79202,Please replace a halo in the molecule Nc1ccc([C@@H]2CCC[NH2+]2)cc1OC(F)(F)F with hydroxyl.,Nc1ccc([C@@H]2CCC[NH2+]2)cc1OC(F)(F)F,halo,hydroxyl
41779,Modify the molecule Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ncccc1F)CCCO2 by substituting a halo with nitro.,Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ncccc1F)CCCO2,halo,nitro
21081,Please replace a halo in the molecule O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 with nitrile.,O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1,halo,nitrile
166649,Modify the molecule CC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H](C)OC by substituting a halo with aldehyde.,CC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H](C)OC,halo,aldehyde
55868,Please replace a halo in the molecule CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 with nitro.,CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1,halo,nitro
180370,Modify the molecule C[C@@H](c1cc(F)cc(F)c1)[NH+]1CC[C@@H](C(=O)[O-])[C@H]1C by substituting a halo with hydroxyl.,C[C@@H](c1cc(F)cc(F)c1)[NH+]1CC[C@@H](C(=O)[O-])[C@H]1C,halo,hydroxyl
201625,Modify the molecule CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 by substituting a halo with aldehyde.,CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1,halo,aldehyde
93294,Substitute a nitrile in the molecule CS(=O)(=O)c1cccc(C(=O)N(CC#N)C2CC2)c1 with halo.,CS(=O)(=O)c1cccc(C(=O)N(CC#N)C2CC2)c1,nitrile,halo
195036,Modify the molecule Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC(C)(C)C)C1=O by replacing a hydroxyl by aldehyde.,Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC(C)(C)C)C1=O,hydroxyl,aldehyde
38333,Substitute a halo in the molecule Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C2CC2)NC1=O with hydroxyl.,Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C2CC2)NC1=O,halo,hydroxyl
239899,Modify the molecule O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccccc2F)c1 by replacing a halo by hydroxyl.,O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccccc2F)c1,halo,hydroxyl
128728,Modify the molecule CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F by substituting a halo with thiol.,CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F,halo,thiol
156655,Please substitute a hydroxyl in the molecule CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 by nitro.,CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1,hydroxyl,nitro
206095,Please replace a hydroxyl in the molecule O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 with aldehyde.,O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1,hydroxyl,aldehyde
192236,Substitute a halo in the molecule CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 with aldehyde.,CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1,halo,aldehyde
72024,Substitute a halo in the molecule Fc1ccc(SCCC[NH2+]Cc2ccc(Cl)nc2)cc1 with nitrile.,Fc1ccc(SCCC[NH2+]Cc2ccc(Cl)nc2)cc1,halo,nitrile
105773,Substitute a hydroxyl in the molecule N#CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 with halo.,N#CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1,hydroxyl,halo
36660,Please substitute a halo in the molecule COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 by hydroxyl.,COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1,halo,hydroxyl
25083,Replace a halo in the molecule CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 by carboxyl.,CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1,halo,carboxyl
243295,Please replace a halo in the molecule C[NH+](CCc1ccc2c(Br)ccc(O)c2n1)C1CCCCC1 with hydroxyl.,C[NH+](CCc1ccc2c(Br)ccc(O)c2n1)C1CCCCC1,halo,hydroxyl
36488,Please replace a hydroxyl in the molecule C/C(=C\CC[P@@](=O)([O-])OP(=O)([O-])[O-])CO with nitro.,C/C(=C\CC[P@@](=O)([O-])OP(=O)([O-])[O-])CO,hydroxyl,nitro
18389,Substitute a hydroxyl in the molecule CCOc1cc(/C=C2\C(=O)N=C(N)N2C)cc(Br)c1O with aldehyde.,CCOc1cc(/C=C2\C(=O)N=C(N)N2C)cc(Br)c1O,hydroxyl,aldehyde
40058,Modify the molecule CCc1ncc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1 by substituting a halo with carboxyl.,CCc1ncc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1,halo,carboxyl
95200,Modify the molecule Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)c(C#N)c1C by replacing a nitrile by halo.,Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)c(C#N)c1C,nitrile,halo
202481,Please substitute a nitrile in the molecule Cc1nc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)cs1 by halo.,Cc1nc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)cs1,nitrile,halo
65365,Substitute a hydroxyl in the molecule O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 with nitrile.,O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1,hydroxyl,nitrile
120806,Substitute a halo in the molecule Cc1ccc([S@@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)nc1 with nitro.,Cc1ccc([S@@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)nc1,halo,nitro
183944,Modify the molecule Cc1cc(-n2nc(CC(C)(C)C)c(Cl)c2N)ncn1 by substituting a halo with nitro.,Cc1cc(-n2nc(CC(C)(C)C)c(Cl)c2N)ncn1,halo,nitro
36163,Modify the molecule CC(C)c1ccc([C@@H]2C[C@@H]2/C([O-])=N/S(=O)(=O)CCCF)cc1 by substituting a halo with carboxyl.,CC(C)c1ccc([C@@H]2C[C@@H]2/C([O-])=N/S(=O)(=O)CCCF)cc1,halo,carboxyl
8780,Modify the molecule O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 by substituting a halo with aldehyde.,O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1,halo,aldehyde
46491,Substitute a hydroxyl in the molecule CCc1cccc(C)c1NC(=O)N(C)Cc1ccccc1O with nitrile.,CCc1cccc(C)c1NC(=O)N(C)Cc1ccccc1O,hydroxyl,nitrile
204777,Modify the molecule O=C(N[C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 by replacing a halo by nitro.,O=C(N[C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,halo,nitro
236796,Replace a hydroxyl in the molecule C[C@H](CNC(=O)C[C@H](O)c1ccccc1)Oc1ccccc1F by thiol.,C[C@H](CNC(=O)C[C@H](O)c1ccccc1)Oc1ccccc1F,hydroxyl,thiol
141239,Please substitute a halo in the molecule CCNC(=O)NCCOc1ccc(Cl)cc1 by hydroxyl.,CCNC(=O)NCCOc1ccc(Cl)cc1,halo,hydroxyl
75152,Substitute a halo in the molecule Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1 with nitro.,Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1,halo,nitro
40361,Modify the molecule CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3F)CC2)cc1 by replacing a halo by thiol.,CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3F)CC2)cc1,halo,thiol
29926,Please substitute a halo in the molecule COC(=O)C1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 by nitro.,COC(=O)C1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1,halo,nitro
233628,Modify the molecule Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)o2)cc1 by substituting a halo with carboxyl.,Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)o2)cc1,halo,carboxyl
126294,Substitute a hydroxyl in the molecule Cc1c(CC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 with aldehyde.,Cc1c(CC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12,hydroxyl,aldehyde
101043,Replace a halo in the molecule O=C1CCC(=O)N1CCN1CCN(Cc2cc(Cl)ccc2F)CC1 by thiol.,O=C1CCC(=O)N1CCN1CCN(Cc2cc(Cl)ccc2F)CC1,halo,thiol
140003,Replace a halo in the molecule Brc1cnc(NC[C@@]2(N3CCOCC3)CCSC2)nc1 by hydroxyl.,Brc1cnc(NC[C@@]2(N3CCOCC3)CCSC2)nc1,halo,hydroxyl
61083,Modify the molecule Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1Cl by substituting a halo with nitrile.,Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1Cl,halo,nitrile
74531,Please substitute a halo in the molecule CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 by hydroxyl.,CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1,halo,hydroxyl
87430,Please replace a halo in the molecule COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 with carboxyl.,COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1,halo,carboxyl
43596,Modify the molecule Cc1ccc(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 by replacing a nitrile by aldehyde.,Cc1ccc(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1,nitrile,aldehyde
14656,Substitute a halo in the molecule C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 with carboxyl.,C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1,halo,carboxyl
222665,Please substitute a halo in the molecule CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(F)cc1 by nitro.,CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(F)cc1,halo,nitro
224731,Modify the molecule C[C@H](OCC1CC1)C(=O)N1CCC(O)(C(F)(F)F)CC1 by replacing a hydroxyl by halo.,C[C@H](OCC1CC1)C(=O)N1CCC(O)(C(F)(F)F)CC1,hydroxyl,halo
66892,Replace a halo in the molecule COc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n1 by nitrile.,COc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n1,halo,nitrile
104554,Substitute a hydroxyl in the molecule CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1 with halo.,CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1,hydroxyl,halo
156842,Replace a nitrile in the molecule N#C[C@H](NCc1ccccc1)c1ccc(C2CC2)cc1 by halo.,N#C[C@H](NCc1ccccc1)c1ccc(C2CC2)cc1,nitrile,halo
13074,Modify the molecule COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)c1 by substituting a halo with nitrile.,COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)c1,halo,nitrile
110097,Modify the molecule N#Cc1ccccc1NC(=O)CSc1ccccc1N by substituting a nitrile with aldehyde.,N#Cc1ccccc1NC(=O)CSc1ccccc1N,nitrile,aldehyde
79081,Please substitute a halo in the molecule Cc1nnc2ccc(N3CCC[C@@H]3c3ccc(F)cc3)nn12 by carboxyl.,Cc1nnc2ccc(N3CCC[C@@H]3c3ccc(F)cc3)nn12,halo,carboxyl
234033,Please substitute a halo in the molecule Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(Cl)c2)o1 by carboxyl.,Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(Cl)c2)o1,halo,carboxyl
196231,Substitute a hydroxyl in the molecule CN(CC(C)(C)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 with halo.,CN(CC(C)(C)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,hydroxyl,halo
75973,Modify the molecule O=C1[C@H]([NH+]2CCC3(CC2)OCCO3)CCN1c1c(F)cccc1F by substituting a halo with nitrile.,O=C1[C@H]([NH+]2CCC3(CC2)OCCO3)CCN1c1c(F)cccc1F,halo,nitrile
102925,Modify the molecule COC(=O)[C@@H]1C[C@H](O)CN1C/C=C/c1ccc(F)cc1 by substituting a halo with aldehyde.,COC(=O)[C@@H]1C[C@H](O)CN1C/C=C/c1ccc(F)cc1,halo,aldehyde
204068,Substitute a hydroxyl in the molecule COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCn2ccccc2=O)cc1 with nitro.,COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCn2ccccc2=O)cc1,hydroxyl,nitro
221805,Please substitute a halo in the molecule CS(=O)(=O)c1ncc(C[NH+]2CCC(Oc3ccccc3F)CC2)n1C[C@H]1CCCO1 by thiol.,CS(=O)(=O)c1ncc(C[NH+]2CCC(Oc3ccccc3F)CC2)n1C[C@H]1CCCO1,halo,thiol
80754,Please substitute a halo in the molecule Cc1cc(OCn2ccc(C(=O)Nc3cccnc3Cl)n2)ccc1Cl by nitro.,Cc1cc(OCn2ccc(C(=O)Nc3cccnc3Cl)n2)ccc1Cl,halo,nitro
230467,Replace a halo in the molecule COC(=O)Cn1nnc(-c2cccc(Cl)c2)n1 by aldehyde.,COC(=O)Cn1nnc(-c2cccc(Cl)c2)n1,halo,aldehyde
131563,Modify the molecule Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 by replacing a hydroxyl by nitro.,Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC[C@H](CO)[C@@H](O)C1,hydroxyl,nitro
207835,Please substitute a halo in the molecule CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1 by aldehyde.,CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1,halo,aldehyde
27786,Modify the molecule Cc1nc(Cc2nc(-c3ccc(F)cc3)cs2)cs1 by replacing a halo by hydroxyl.,Cc1nc(Cc2nc(-c3ccc(F)cc3)cs2)cs1,halo,hydroxyl
185566,Modify the molecule CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 by substituting a halo with nitro.,CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1,halo,nitro
121493,Modify the molecule CN(Cc1cccc(O)c1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 by substituting a hydroxyl with halo.,CN(Cc1cccc(O)c1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1,hydroxyl,halo
208871,Replace a halo in the molecule Cc1nn(C)c(C)c1C[NH2+]CCOc1ccc(Cl)cc1 by aldehyde.,Cc1nn(C)c(C)c1C[NH2+]CCOc1ccc(Cl)cc1,halo,aldehyde
161751,Modify the molecule Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4ccccc4F)CC3)c2cc1C by substituting a halo with thiol.,Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4ccccc4F)CC3)c2cc1C,halo,thiol
22143,Modify the molecule N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 by replacing a nitrile by carboxyl.,N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)nc1,nitrile,carboxyl
134488,Substitute a nitro in the molecule O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnc(-c2ccccc2)n1 with nitrile.,O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnc(-c2ccccc2)n1,nitro,nitrile
147306,Substitute a halo in the molecule Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nc(C)ncc4-c4ccc(F)cc4)C3)cc2)n1 with aldehyde.,Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nc(C)ncc4-c4ccc(F)cc4)C3)cc2)n1,halo,aldehyde
193577,Please replace a nitro in the molecule O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 with halo.,O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1,nitro,halo
113895,Replace a hydroxyl in the molecule O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(O)CC1 by aldehyde.,O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(O)CC1,hydroxyl,aldehyde
151649,Modify the molecule CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(C)=O)c1ccccc1-2 by substituting a halo with thiol.,CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(C)=O)c1ccccc1-2,halo,thiol
195985,Please replace a halo in the molecule O=C([O-])c1cn(-c2cc(F)cc(F)c2F)c(=O)[nH]c1=O with carboxyl.,O=C([O-])c1cn(-c2cc(F)cc(F)c2F)c(=O)[nH]c1=O,halo,carboxyl
227134,Modify the molecule CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[S@@]1=O by substituting a nitro with hydroxyl.,CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[S@@]1=O,nitro,hydroxyl
10552,Modify the molecule CC[C@@](C)(Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-] by substituting a nitro with hydroxyl.,CC[C@@](C)(Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-],nitro,hydroxyl
33348,Modify the molecule COC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 by replacing a halo by thiol.,COC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1,halo,thiol
152845,Modify the molecule CC[C@]1(C)C[C@]2(CC[NH2+]C[C@@H]2c2ccccc2F)CCO1 by replacing a halo by aldehyde.,CC[C@]1(C)C[C@]2(CC[NH2+]C[C@@H]2c2ccccc2F)CCO1,halo,aldehyde
212308,Modify the molecule COc1ccc([C@H]2CCC[NH+]2C[C@H](O)c2cccs2)c(OC)c1 by substituting a hydroxyl with nitro.,COc1ccc([C@H]2CCC[NH+]2C[C@H](O)c2cccs2)c(OC)c1,hydroxyl,nitro
147929,Substitute a nitrile in the molecule N#C[C@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CSc1cn[n-]n1 with nitro.,N#C[C@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CSc1cn[n-]n1,nitrile,nitro
144905,Modify the molecule C[NH+]1CCN(CCS(=O)(=O)OCC(F)(F)C(F)F)CC1 by replacing a halo by carboxyl.,C[NH+]1CCN(CCS(=O)(=O)OCC(F)(F)C(F)F)CC1,halo,carboxyl
82128,Please substitute a hydroxyl in the molecule Oc1nc2ccc(-n3cnnn3)cc2nc1O by nitro.,Oc1nc2ccc(-n3cnnn3)cc2nc1O,hydroxyl,nitro
173319,Modify the molecule O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccccn1 by substituting a halo with nitrile.,O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccccn1,halo,nitrile
145650,Modify the molecule C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 by substituting a nitro with aldehyde.,C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1,nitro,aldehyde
125477,Replace a halo in the molecule CC[C@H]1CCCC[NH+]1[C@@H](C)C(=O)Nc1ccc(N)cc1Cl by nitrile.,CC[C@H]1CCCC[NH+]1[C@@H](C)C(=O)Nc1ccc(N)cc1Cl,halo,nitrile
64545,Substitute a halo in the molecule C[C@@H](C1CC1)N(C(=O)c1ccc(F)cc1)C1CC1 with aldehyde.,C[C@@H](C1CC1)N(C(=O)c1ccc(F)cc1)C1CC1,halo,aldehyde
167,Modify the molecule O=C(Nc1ccccc1F)c1cc2ccccc2c2cccnc12 by replacing a halo by nitrile.,O=C(Nc1ccccc1F)c1cc2ccccc2c2cccnc12,halo,nitrile
195377,Replace a hydroxyl in the molecule O=C([C@H](O)c1ccccc1)N1CC2(CC2)c2ccccc21 by aldehyde.,O=C([C@H](O)c1ccccc1)N1CC2(CC2)c2ccccc21,hydroxyl,aldehyde
207629,Please replace a halo in the molecule O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 with nitrile.,O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1,halo,nitrile
151443,Please substitute a halo in the molecule COc1ccccc1-c1nnc2sc(NC(=O)c3cccc(Cl)c3)nn12 by aldehyde.,COc1ccccc1-c1nnc2sc(NC(=O)c3cccc(Cl)c3)nn12,halo,aldehyde
100670,Please substitute a halo in the molecule Cc1cc(-n2c(C)cc(/C=C/C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1 by thiol.,Cc1cc(-n2c(C)cc(/C=C/C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1,halo,thiol
141390,Please substitute a hydroxyl in the molecule CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(F)c1 by halo.,CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(F)c1,hydroxyl,halo
227038,Please replace a hydroxyl in the molecule C=CC[NH+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O with halo.,C=CC[NH+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O,hydroxyl,halo
110098,Modify the molecule CCc1ccc([C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2F)cc1 by substituting a hydroxyl with thiol.,CCc1ccc([C@H](CO)[NH2+][C@H](C)c2cc(F)ccc2F)cc1,hydroxyl,thiol
145028,Replace a halo in the molecule C[C@@H](CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)Oc1ccccc1F by nitrile.,C[C@@H](CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)Oc1ccccc1F,halo,nitrile
208901,Modify the molecule Cc1cc(C[NH2+]Cc2ccc3c(c2)CCC3)cc(C)c1F by replacing a halo by carboxyl.,Cc1cc(C[NH2+]Cc2ccc3c(c2)CCC3)cc(C)c1F,halo,carboxyl
233876,Modify the molecule CC1([N+](=O)[O-])COP(=O)(Nc2cccc(Br)c2)OC1 by substituting a nitro with halo.,CC1([N+](=O)[O-])COP(=O)(Nc2cccc(Br)c2)OC1,nitro,halo
111924,Substitute a halo in the molecule Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(F)ccc3NC(=O)[C@@H]3C[C@H]3C)CC2)cc1 with hydroxyl.,Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(F)ccc3NC(=O)[C@@H]3C[C@H]3C)CC2)cc1,halo,hydroxyl
228127,Please replace a nitro in the molecule O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 with hydroxyl.,O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1,nitro,hydroxyl
218430,Substitute a halo in the molecule CC[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 with thiol.,CC[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1,halo,thiol
124642,Modify the molecule CCCN(CC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 by replacing a nitrile by nitro.,CCCN(CC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2,nitrile,nitro
14250,Modify the molecule O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 by substituting a nitro with aldehyde.,O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCOCC2)cc1,nitro,aldehyde
177963,Please replace a halo in the molecule CC(C)Oc1ccc(Br)cc1/C=N/n1nnnc1N with carboxyl.,CC(C)Oc1ccc(Br)cc1/C=N/n1nnnc1N,halo,carboxyl
204933,Substitute a nitro in the molecule Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1 with thiol.,Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1,nitro,thiol
201756,Please replace a halo in the molecule COc1cc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1O with carboxyl.,COc1cc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1O,halo,carboxyl
107224,Please substitute a hydroxyl in the molecule C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 by aldehyde.,C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2,hydroxyl,aldehyde
4206,Replace a hydroxyl in the molecule Cc1cccc([C@@H](O)C2(N3CCOCC3)CCCC2)c1 by aldehyde.,Cc1cccc([C@@H](O)C2(N3CCOCC3)CCCC2)c1,hydroxyl,aldehyde
221029,Modify the molecule CSc1cccc(NCCC(C)(C)O)c1 by replacing a hydroxyl by halo.,CSc1cccc(NCCC(C)(C)O)c1,hydroxyl,halo
23618,Modify the molecule COc1ccccc1N1C[C@@](O)(c2ccc(F)cc2)[N+]2=C1CCCC2 by substituting a halo with carboxyl.,COc1ccccc1N1C[C@@](O)(c2ccc(F)cc2)[N+]2=C1CCCC2,halo,carboxyl
134148,Please substitute a halo in the molecule CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 by nitrile.,CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1,halo,nitrile
33447,Please substitute a hydroxyl in the molecule Cc1nn(C)cc1CCC(=O)N1CC[C@@H](C)[C@H](O)C1 by thiol.,Cc1nn(C)cc1CCC(=O)N1CC[C@@H](C)[C@H](O)C1,hydroxyl,thiol
237868,Substitute a halo in the molecule Oc1cccc(C(F)(F)F)c1F with nitrile.,Oc1cccc(C(F)(F)F)c1F,halo,nitrile
8064,Modify the molecule O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCS2(=O)=O)cc1 by substituting a halo with carboxyl.,O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCS2(=O)=O)cc1,halo,carboxyl
109186,Modify the molecule COc1ccc(NC(=S)/[NH+]=N/c2c(O)[nH]c3ccccc23)cc1 by substituting a hydroxyl with halo.,COc1ccc(NC(=S)/[NH+]=N/c2c(O)[nH]c3ccccc23)cc1,hydroxyl,halo
58124,Modify the molecule Cc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 by substituting a halo with aldehyde.,Cc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1,halo,aldehyde
165433,Modify the molecule Nc1c(C(=O)NC[C@H]2CCCCO2)cccc1C(F)(F)F by replacing a halo by nitrile.,Nc1c(C(=O)NC[C@H]2CCCCO2)cccc1C(F)(F)F,halo,nitrile
83983,Please substitute a halo in the molecule CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 by nitro.,CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1,halo,nitro
9845,Substitute a nitro in the molecule C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CO1 with aldehyde.,C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CO1,nitro,aldehyde
145437,Modify the molecule C[C@H](C(=O)Nc1ncccn1)[NH+](C)Cc1ccc(F)cc1F by substituting a halo with nitro.,C[C@H](C(=O)Nc1ncccn1)[NH+](C)Cc1ccc(F)cc1F,halo,nitro
19563,Substitute a halo in the molecule Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 with nitrile.,Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1,halo,nitrile
22476,Substitute a halo in the molecule Cc1ccc(F)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 with aldehyde.,Cc1ccc(F)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1,halo,aldehyde
141494,Substitute a hydroxyl in the molecule C[C@H]1CCc2sc(-c3nnc(SCc4nc5ccc(Cl)cc5n4CCO)o3)cc2C1 with thiol.,C[C@H]1CCc2sc(-c3nnc(SCc4nc5ccc(Cl)cc5n4CCO)o3)cc2C1,hydroxyl,thiol
226236,Modify the molecule Fc1ccccc1COC1CCN(CC(F)(F)F)CC1 by substituting a halo with hydroxyl.,Fc1ccccc1COC1CCN(CC(F)(F)F)CC1,halo,hydroxyl
201803,Modify the molecule CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 by substituting a nitro with carboxyl.,CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1,nitro,carboxyl
240331,Modify the molecule Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 by replacing a hydroxyl by halo.,Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(-c2ccccc2F)c1,hydroxyl,halo
128029,Please substitute a nitrile in the molecule N#Cc1csc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 by nitro.,N#Cc1csc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1,nitrile,nitro
41098,Modify the molecule CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc[nH]n2)c1 by substituting a halo with thiol.,CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc[nH]n2)c1,halo,thiol
214247,Please replace a nitro in the molecule COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)cnc3c2c1 with carboxyl.,COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)cnc3c2c1,nitro,carboxyl
118870,Modify the molecule Cc1ccccc1N(C)CC[C@@H]1CCC[C@]1([NH3+])CO by replacing a hydroxyl by aldehyde.,Cc1ccccc1N(C)CC[C@@H]1CCC[C@]1([NH3+])CO,hydroxyl,aldehyde
217191,Substitute a halo in the molecule CC[NH+]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2)[C@H](C)C1 with nitrile.,CC[NH+]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2)[C@H](C)C1,halo,nitrile
168898,Substitute a halo in the molecule Cc1cc(F)ccc1CCN1CC[C@H](C)[NH2+]C[C@H](C)C1 with aldehyde.,Cc1cc(F)ccc1CCN1CC[C@H](C)[NH2+]C[C@H](C)C1,halo,aldehyde
206696,Modify the molecule C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1 by substituting a halo with nitro.,C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1,halo,nitro
36238,Modify the molecule Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCO by substituting a nitro with halo.,Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCO,nitro,halo
161966,Modify the molecule C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C by replacing a halo by aldehyde.,C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C,halo,aldehyde
2198,Modify the molecule FC(F)(F)c1nc2ccccc2n1CC1CC[NH2+]CC1 by substituting a halo with carboxyl.,FC(F)(F)c1nc2ccccc2n1CC1CC[NH2+]CC1,halo,carboxyl
63591,Substitute a halo in the molecule CCOc1ccc(CCC(=O)N2CCc3ccc(Cl)cc3C2)cc1 with nitro.,CCOc1ccc(CCC(=O)N2CCc3ccc(Cl)cc3C2)cc1,halo,nitro
243946,Modify the molecule Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([S-])O[C@H]2[C@H]1O by substituting a hydroxyl with aldehyde.,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([S-])O[C@H]2[C@H]1O,hydroxyl,aldehyde
25493,Modify the molecule O=C(Cc1ccc(F)c(F)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F by substituting a halo with nitrile.,O=C(Cc1ccc(F)c(F)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F,halo,nitrile
106911,Replace a halo in the molecule Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 by aldehyde.,Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1,halo,aldehyde
54764,Modify the molecule COc1coc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1=O by substituting a halo with carboxyl.,COc1coc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1=O,halo,carboxyl
192984,Substitute a halo in the molecule O=C(CCc1cccc(F)c1)OCc1ccc(-n2ccnc2)nc1 with hydroxyl.,O=C(CCc1cccc(F)c1)OCc1ccc(-n2ccnc2)nc1,halo,hydroxyl
80333,Replace a halo in the molecule COc1ccccc1C(=O)NC(=S)Nc1ccccc1F by hydroxyl.,COc1ccccc1C(=O)NC(=S)Nc1ccccc1F,halo,hydroxyl
243024,Please replace a nitro in the molecule CNC(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 with aldehyde.,CNC(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1,nitro,aldehyde
190826,Replace a halo in the molecule O=S(=O)(c1cccc2nonc12)N1CCN(Cc2cccc(F)c2)CC1 by thiol.,O=S(=O)(c1cccc2nonc12)N1CCN(Cc2cccc(F)c2)CC1,halo,thiol
35498,Please replace a halo in the molecule Cc1cc(C)cc(Nc2c(F)c(F)nc(F)c2F)c1 with nitro.,Cc1cc(C)cc(Nc2c(F)c(F)nc(F)c2F)c1,halo,nitro
203553,Modify the molecule C[C@@H](NC(=O)N1CCC[NH+](C2CCOCC2)CC1)c1ccc(Cl)s1 by replacing a halo by nitrile.,C[C@@H](NC(=O)N1CCC[NH+](C2CCOCC2)CC1)c1ccc(Cl)s1,halo,nitrile
205670,Modify the molecule CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(F)cc1)CC2 by replacing a halo by nitro.,CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(F)cc1)CC2,halo,nitro
189270,Please replace a aldehyde in the molecule Cc1cc(C=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 with nitrile.,Cc1cc(C=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1,aldehyde,nitrile
6923,Modify the molecule O=C(N/N=C/c1cc2ccccc2nc1Cl)c1nc2ccccc2c(=O)[nH]1 by replacing a halo by nitro.,O=C(N/N=C/c1cc2ccccc2nc1Cl)c1nc2ccccc2c(=O)[nH]1,halo,nitro
161513,Modify the molecule Cc1ccc(CNC(=O)C2CCN(c3cccc[nH+]3)CC2)cc1F by replacing a halo by thiol.,Cc1ccc(CNC(=O)C2CCN(c3cccc[nH+]3)CC2)cc1F,halo,thiol
157648,Please substitute a halo in the molecule Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1 by hydroxyl.,Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1,halo,hydroxyl
232431,Substitute a hydroxyl in the molecule O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1c2ccccc2C[C@@H]1O with carboxyl.,O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1c2ccccc2C[C@@H]1O,hydroxyl,carboxyl
136707,Please replace a halo in the molecule Cc1cc(C)n(-c2ccccc2NC(=O)c2cccnc2Cl)n1 with thiol.,Cc1cc(C)n(-c2ccccc2NC(=O)c2cccnc2Cl)n1,halo,thiol
97303,Modify the molecule O=[N+]([O-])c1ccc2nc(N[C@@H]3C=CS(=O)(=O)C3)oc2c1 by replacing a nitro by hydroxyl.,O=[N+]([O-])c1ccc2nc(N[C@@H]3C=CS(=O)(=O)C3)oc2c1,nitro,hydroxyl
183496,Substitute a halo in the molecule O[C@@H](Cc1c(F)cccc1F)c1c(F)cc(F)cc1F with nitro.,O[C@@H](Cc1c(F)cccc1F)c1c(F)cc(F)cc1F,halo,nitro
136837,Modify the molecule C[NH+](C)CC[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O by replacing a hydroxyl by nitrile.,C[NH+](C)CC[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,hydroxyl,nitrile
141114,Please replace a halo in the molecule O=C(c1cnc2n(c1=O)CCS2)N1CCc2cc(F)ccc2C1 with nitrile.,O=C(c1cnc2n(c1=O)CCS2)N1CCc2cc(F)ccc2C1,halo,nitrile
145504,Replace a nitrile in the molecule CCN[C@]1(C#N)CC[C@@H]([NH+]2CCC[C@H](OCC)C2)C1 by nitro.,CCN[C@]1(C#N)CC[C@@H]([NH+]2CCC[C@H](OCC)C2)C1,nitrile,nitro
21130,Please replace a nitrile in the molecule C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 with aldehyde.,C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1,nitrile,aldehyde
50773,Please replace a hydroxyl in the molecule Cc1csc(CN(C)C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 with nitrile.,Cc1csc(CN(C)C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1,hydroxyl,nitrile
122126,Modify the molecule Cn1nccc1C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 by substituting a halo with thiol.,Cn1nccc1C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1,halo,thiol
37867,Modify the molecule COCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 by substituting a nitrile with nitro.,COCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2,nitrile,nitro
247766,Please substitute a halo in the molecule Cc1ncccc1NC(=O)c1ccccc1F by hydroxyl.,Cc1ncccc1NC(=O)c1ccccc1F,halo,hydroxyl
32146,Replace a halo in the molecule Cc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 by thiol.,Cc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1,halo,thiol
167202,Please replace a halo in the molecule Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 with nitrile.,Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1,halo,nitrile
160906,Substitute a hydroxyl in the molecule CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N with carboxyl.,CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N,hydroxyl,carboxyl
18428,Modify the molecule Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)Cc3ccccc3)nc12 by substituting a halo with nitro.,Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)Cc3ccccc3)nc12,halo,nitro
184629,Modify the molecule [O-]c1nnc(CSc2nc3cc(Cl)ccc3s2)[nH]1 by substituting a halo with nitrile.,[O-]c1nnc(CSc2nc3cc(Cl)ccc3s2)[nH]1,halo,nitrile
7379,Please replace a halo in the molecule CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1F with aldehyde.,CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1F,halo,aldehyde
84533,Substitute a halo in the molecule CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)nc1 with thiol.,CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)nc1,halo,thiol
197531,Please substitute a halo in the molecule Cc1ncccc1NC(=O)C(=O)NCCc1c[nH]c2ccc(F)cc12 by nitrile.,Cc1ncccc1NC(=O)C(=O)NCCc1c[nH]c2ccc(F)cc12,halo,nitrile
46729,Please substitute a halo in the molecule O=C1CN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CCN1 by nitrile.,O=C1CN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CCN1,halo,nitrile
31361,Modify the molecule N#Cc1ccc(C(F)(F)F)nc1NCCC[NH2+]C1CC1 by substituting a nitrile with nitro.,N#Cc1ccc(C(F)(F)F)nc1NCCC[NH2+]C1CC1,nitrile,nitro
106370,Substitute a halo in the molecule Cn1cnnc1[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1 with nitrile.,Cn1cnnc1[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1,halo,nitrile
130103,Replace a hydroxyl in the molecule CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n(C)n1 by halo.,CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n(C)n1,hydroxyl,halo
232862,Modify the molecule O=C(COc1ncnc2ccc(Br)cc12)N1CCCCC1 by replacing a halo by carboxyl.,O=C(COc1ncnc2ccc(Br)cc12)N1CCCCC1,halo,carboxyl
158360,Modify the molecule Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(Cl)ccc1C(N)=O by substituting a halo with thiol.,Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(Cl)ccc1C(N)=O,halo,thiol
162474,Modify the molecule CC(C)c1cccc2c1OCC[C@@H]2[NH2+]C[C@]1(O)CCOC1 by substituting a hydroxyl with thiol.,CC(C)c1cccc2c1OCC[C@@H]2[NH2+]C[C@]1(O)CCOC1,hydroxyl,thiol
96951,Substitute a halo in the molecule CCCCNC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C with hydroxyl.,CCCCNC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C,halo,hydroxyl
24430,Modify the molecule O=C(C1CCC1)N1CCCC[C@H]1[C@@H]1CCCC[C@H]1O by replacing a hydroxyl by nitrile.,O=C(C1CCC1)N1CCCC[C@H]1[C@@H]1CCCC[C@H]1O,hydroxyl,nitrile
244766,Replace a halo in the molecule O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[NH2+]CC1 by thiol.,O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[NH2+]CC1,halo,thiol
80939,Please replace a halo in the molecule COC(=O)c1nn(C[NH+](C)CCc2ccc(F)cc2)c(=O)c2noc(C)c12 with carboxyl.,COC(=O)c1nn(C[NH+](C)CCc2ccc(F)cc2)c(=O)c2noc(C)c12,halo,carboxyl
224858,Modify the molecule CC[C@H](C)C[NH2+]C[C@@]1(CCO)CCOC1 by substituting a hydroxyl with carboxyl.,CC[C@H](C)C[NH2+]C[C@@]1(CCO)CCOC1,hydroxyl,carboxyl
238537,Replace a halo in the molecule CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 by carboxyl.,CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1,halo,carboxyl
61914,Replace a hydroxyl in the molecule CCOc1ccccc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1 by nitrile.,CCOc1ccccc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1,hydroxyl,nitrile
210572,Please substitute a halo in the molecule Cc1cc(C)c(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c(C)c1 by carboxyl.,Cc1cc(C)c(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c(C)c1,halo,carboxyl
104017,Modify the molecule CCOC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1 by replacing a hydroxyl by nitrile.,CCOC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1,hydroxyl,nitrile
190644,Please replace a hydroxyl in the molecule C[N+](C)=c1ccc2nc3c(C(=O)[O-])cc(O)c(O)c3oc-2c1 with thiol.,C[N+](C)=c1ccc2nc3c(C(=O)[O-])cc(O)c(O)c3oc-2c1,hydroxyl,thiol
11139,Replace a halo in the molecule CN(C(=O)c1ccc(F)nc1)c1cccc2ncccc12 by aldehyde.,CN(C(=O)c1ccc(F)nc1)c1cccc2ncccc12,halo,aldehyde
100026,Modify the molecule COc1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(C)c1 by replacing a hydroxyl by halo.,COc1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(C)c1,hydroxyl,halo
90015,Please substitute a halo in the molecule C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2)C1 by carboxyl.,C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2)C1,halo,carboxyl
24903,Modify the molecule Cc1ccc([C@@H](N)CC[NH+](C)C[C@@H]2CCCOC2)cc1F by replacing a halo by nitrile.,Cc1ccc([C@@H](N)CC[NH+](C)C[C@@H]2CCCOC2)cc1F,halo,nitrile
52249,Please replace a halo in the molecule COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1Cl with nitro.,COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1Cl,halo,nitro
197318,Please replace a nitro in the molecule O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(Cl)c1 with thiol.,O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(Cl)c1,nitro,thiol
98274,Modify the molecule C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc[nH]n1 by substituting a halo with aldehyde.,C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc[nH]n1,halo,aldehyde
86881,Substitute a halo in the molecule CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 with hydroxyl.,CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1,halo,hydroxyl
1070,Please substitute a halo in the molecule CC[NH2+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1C1CC1 by hydroxyl.,CC[NH2+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1C1CC1,halo,hydroxyl
16176,Please replace a nitro in the molecule O=[N+]([O-])c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 with halo.,O=[N+]([O-])c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1,nitro,halo
110573,Please replace a halo in the molecule CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21 with carboxyl.,CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21,halo,carboxyl
159513,Substitute a hydroxyl in the molecule O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21 with halo.,O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@@H](c1ccc(O)cc1O)[C@H]1CC=C[C@H]21,hydroxyl,halo
34397,Replace a halo in the molecule Cc1nc(CNc2ccc(Cl)c(Cl)c2)no1 by nitro.,Cc1nc(CNc2ccc(Cl)c(Cl)c2)no1,halo,nitro
107703,Please replace a hydroxyl in the molecule CC(C)C[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 with nitrile.,CC(C)C[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1,hydroxyl,nitrile
43318,Please replace a halo in the molecule O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 with carboxyl.,O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1,halo,carboxyl
220606,Replace a nitrile in the molecule COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1 by thiol.,COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1,nitrile,thiol
53809,Modify the molecule CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 by substituting a halo with hydroxyl.,CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1,halo,hydroxyl
223181,Modify the molecule O=C1/C(=N\CCCCCl)[C@H](Cl)C(=O)c2ccccc21 by substituting a halo with nitro.,O=C1/C(=N\CCCCCl)[C@H](Cl)C(=O)c2ccccc21,halo,nitro
181034,Replace a hydroxyl in the molecule CC(C)[C@H](O)[C@@H](c1ccccc1O)n1nnc2ccccc21 by nitro.,CC(C)[C@H](O)[C@@H](c1ccccc1O)n1nnc2ccccc21,hydroxyl,nitro
26115,Replace a halo in the molecule NS(=O)(=O)c1ccc(N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 by hydroxyl.,NS(=O)(=O)c1ccc(N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1,halo,hydroxyl
99886,Substitute a nitro in the molecule Cc1c(CO[C@H]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] with halo.,Cc1c(CO[C@H]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-],nitro,halo
87675,Substitute a halo in the molecule C=CCCCO[C@@H](C)C(=O)c1cccc(Cl)c1 with thiol.,C=CCCCO[C@@H](C)C(=O)c1cccc(Cl)c1,halo,thiol
95637,Replace a nitro in the molecule CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C1(C)C by nitrile.,CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C1(C)C,nitro,nitrile
215684,Modify the molecule CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)o1 by substituting a halo with carboxyl.,CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)o1,halo,carboxyl
52812,Please substitute a halo in the molecule NS(=O)(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 by thiol.,NS(=O)(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1,halo,thiol
19106,Please replace a hydroxyl in the molecule C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1cccs1 with aldehyde.,C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1cccs1,hydroxyl,aldehyde
108160,Please substitute a halo in the molecule COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(OC)c1Br by nitrile.,COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(OC)c1Br,halo,nitrile
228356,Modify the molecule CC1(C)C[C@](O)([C@@H]2Cc3ccccc3N2)C(C)(C)O1 by replacing a hydroxyl by nitro.,CC1(C)C[C@](O)([C@@H]2Cc3ccccc3N2)C(C)(C)O1,hydroxyl,nitro
16916,Modify the molecule Cc1noc([C@H](OC(=O)C[C@H](C)c2cccc(F)c2)c2ccccc2)n1 by replacing a halo by carboxyl.,Cc1noc([C@H](OC(=O)C[C@H](C)c2cccc(F)c2)c2ccccc2)n1,halo,carboxyl
46020,Modify the molecule O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 by substituting a halo with hydroxyl.,O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1,halo,hydroxyl
110703,Modify the molecule C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O by substituting a halo with hydroxyl.,C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O,halo,hydroxyl
37696,Substitute a halo in the molecule Cc1cccc(COC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 with nitrile.,Cc1cccc(COC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1,halo,nitrile
27791,Please substitute a halo in the molecule ClC(Cl)(Cl)[C@@H]1NCCO1 by thiol.,ClC(Cl)(Cl)[C@@H]1NCCO1,halo,thiol
158073,Modify the molecule Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c(C)c1 by replacing a nitro by nitrile.,Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c(C)c1,nitro,nitrile
61581,Substitute a halo in the molecule O=C(NCCn1cccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 with thiol.,O=C(NCCn1cccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1,halo,thiol
236635,Substitute a nitrile in the molecule COc1ccc(OCC(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 with hydroxyl.,COc1ccc(OCC(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1,nitrile,hydroxyl
134945,Replace a halo in the molecule O=C(c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1 by carboxyl.,O=C(c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1,halo,carboxyl
206258,Please substitute a nitrile in the molecule C[C@@H](C(=O)N(CCC#N)CCC#N)n1cccn1 by thiol.,C[C@@H](C(=O)N(CCC#N)CCC#N)n1cccn1,nitrile,thiol
160064,Please replace a nitrile in the molecule CCC(CC)(CC(=O)Nc1cccc(C#N)c1)C(=O)[O-] with carboxyl.,CCC(CC)(CC(=O)Nc1cccc(C#N)c1)C(=O)[O-],nitrile,carboxyl
24669,Modify the molecule CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(-c2ccccc2)cc1 by replacing a nitrile by carboxyl.,CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(-c2ccccc2)cc1,nitrile,carboxyl
20372,Please substitute a halo in the molecule CCOc1ccc(F)c(C(=O)N2CCN(C)c3ccc(F)cc32)c1F by carboxyl.,CCOc1ccc(F)c(C(=O)N2CCN(C)c3ccc(F)cc32)c1F,halo,carboxyl
189771,Replace a halo in the molecule CC(=O)Nc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 by nitro.,CC(=O)Nc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1,halo,nitro
125965,Replace a halo in the molecule O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1 by carboxyl.,O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1,halo,carboxyl
22095,Please substitute a nitrile in the molecule CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1C1CC1 by nitro.,CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1C1CC1,nitrile,nitro
113647,Modify the molecule Fc1cc(C[NH+]2CCC[C@@H](n3cccn3)C2)ccc1Cl by substituting a halo with aldehyde.,Fc1cc(C[NH+]2CCC[C@@H](n3cccn3)C2)ccc1Cl,halo,aldehyde
10514,Substitute a halo in the molecule COc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1 with aldehyde.,COc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1,halo,aldehyde
126493,Modify the molecule Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 by replacing a nitro by hydroxyl.,Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1,nitro,hydroxyl
139265,Modify the molecule COc1c(Cl)cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl by substituting a halo with aldehyde.,COc1c(Cl)cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl,halo,aldehyde
168403,Substitute a halo in the molecule N#Cc1nc(NCCNC(=O)CC2CCCC2)ccc1Cl with nitro.,N#Cc1nc(NCCNC(=O)CC2CCCC2)ccc1Cl,halo,nitro
158213,Please substitute a halo in the molecule CC(C)NC(=O)c1ccc(NCc2ccc(F)c(Br)c2)cc1 by hydroxyl.,CC(C)NC(=O)c1ccc(NCc2ccc(F)c(Br)c2)cc1,halo,hydroxyl
163219,Modify the molecule CCOCc1noc(-c2ccc(OC)c(O)c2)n1 by substituting a hydroxyl with aldehyde.,CCOCc1noc(-c2ccc(OC)c(O)c2)n1,hydroxyl,aldehyde
56445,Please substitute a halo in the molecule Cc1cc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)n(C)n1 by nitro.,Cc1cc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)n(C)n1,halo,nitro
171427,Substitute a halo in the molecule CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)c(F)c1 with aldehyde.,CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)c(F)c1,halo,aldehyde
197876,Substitute a hydroxyl in the molecule CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O with aldehyde.,CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O,hydroxyl,aldehyde
49147,Modify the molecule O=C(c1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 by replacing a halo by carboxyl.,O=C(c1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1,halo,carboxyl
18785,Modify the molecule COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)[NH2+]2)cc1 by substituting a halo with nitro.,COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3O)[NH2+]2)cc1,halo,nitro
138503,Substitute a halo in the molecule Cn1cnnc1CSCc1noc(-c2ccccc2Cl)n1 with nitrile.,Cn1cnnc1CSCc1noc(-c2ccccc2Cl)n1,halo,nitrile
124209,Please replace a halo in the molecule Nc1nc(Cl)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1 with nitro.,Nc1nc(Cl)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1,halo,nitro
93663,Please substitute a hydroxyl in the molecule Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 by thiol.,Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2,hydroxyl,thiol
180909,Please replace a nitrile in the molecule CCOC(=O)c1ccc(CNC(=O)Nc2ccc(CC#N)cc2)o1 with hydroxyl.,CCOC(=O)c1ccc(CNC(=O)Nc2ccc(CC#N)cc2)o1,nitrile,hydroxyl
67201,Modify the molecule COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 by substituting a halo with hydroxyl.,COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1,halo,hydroxyl
211886,Substitute a halo in the molecule COc1ccc(CN(C)C(=O)C[NH+]2CCCN(CC(F)(F)F)CC2)cc1F with carboxyl.,COc1ccc(CN(C)C(=O)C[NH+]2CCCN(CC(F)(F)F)CC2)cc1F,halo,carboxyl
179652,Please substitute a nitro in the molecule O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccco1 by halo.,O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccco1,nitro,halo
50560,Modify the molecule CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 by substituting a halo with carboxyl.,CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1,halo,carboxyl
595,Please replace a halo in the molecule O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl with hydroxyl.,O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl,halo,hydroxyl
216924,Modify the molecule O=C(NNC(=S)NCCc1ccc(Cl)cc1)c1ccoc1 by replacing a halo by thiol.,O=C(NNC(=S)NCCc1ccc(Cl)cc1)c1ccoc1,halo,thiol
214502,Please substitute a halo in the molecule CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC2(C)C)c(F)c1 by nitrile.,CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC2(C)C)c(F)c1,halo,nitrile
24616,Modify the molecule C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F by replacing a halo by thiol.,C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F,halo,thiol
178102,Please replace a halo in the molecule CC(C)[C@H]1CC[C@@H](C)CC1=C(F)C(=O)[O-] with thiol.,CC(C)[C@H]1CC[C@@H](C)CC1=C(F)C(=O)[O-],halo,thiol
220775,Substitute a nitro in the molecule COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 with thiol.,COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1,nitro,thiol
211376,Please substitute a nitrile in the molecule Cc1nc([O-])c(C#N)cc1C(=O)N1CCC[C@@H](N(C)CC[NH+](C)C)C1 by nitro.,Cc1nc([O-])c(C#N)cc1C(=O)N1CCC[C@@H](N(C)CC[NH+](C)C)C1,nitrile,nitro
101505,Modify the molecule Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H](C)NC(=O)C2CCCCC2)c(F)c1 by replacing a halo by thiol.,Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H](C)NC(=O)C2CCCCC2)c(F)c1,halo,thiol
134419,Modify the molecule COc1cc(Cl)ccc1-c1ccc(=O)[nH]c1 by replacing a halo by hydroxyl.,COc1cc(Cl)ccc1-c1ccc(=O)[nH]c1,halo,hydroxyl
78923,Modify the molecule Cc1nn(C)c(C)c1NC(=O)CN(c1ccccc1F)C1CCCC1 by substituting a halo with thiol.,Cc1nn(C)c(C)c1NC(=O)CN(c1ccccc1F)C1CCCC1,halo,thiol
207906,Please replace a nitro in the molecule C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 with halo.,C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1,nitro,halo
37788,Substitute a hydroxyl in the molecule C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccccc1OCCO with nitrile.,C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccccc1OCCO,hydroxyl,nitrile
41516,Modify the molecule CS(=O)(=O)N1CC[C@]2(O)CCN(c3ncccn3)C[C@@H]2C1 by substituting a hydroxyl with halo.,CS(=O)(=O)N1CC[C@]2(O)CCN(c3ncccn3)C[C@@H]2C1,hydroxyl,halo
127136,Please substitute a halo in the molecule Cc1ncccc1Oc1cc(Cl)ccc1C(N)=S by hydroxyl.,Cc1ncccc1Oc1cc(Cl)ccc1C(N)=S,halo,hydroxyl
214718,Replace a hydroxyl in the molecule O=C1N=CN=C2C1=NCN2[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1O by aldehyde.,O=C1N=CN=C2C1=NCN2[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1O,hydroxyl,aldehyde
210386,Please substitute a halo in the molecule COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 by nitro.,COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1,halo,nitro
49729,Substitute a halo in the molecule CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 with thiol.,CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1,halo,thiol
129123,Modify the molecule CCNC(=O)NCCOC(=O)C1(c2cccc(F)c2)CC1 by substituting a halo with thiol.,CCNC(=O)NCCOC(=O)C1(c2cccc(F)c2)CC1,halo,thiol
211140,Modify the molecule N#Cc1ccc(NCc2cccc(OCC(F)F)n2)c(F)c1 by substituting a halo with thiol.,N#Cc1ccc(NCc2cccc(OCC(F)F)n2)c(F)c1,halo,thiol
87327,Please substitute a nitro in the molecule C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 by hydroxyl.,C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1,nitro,hydroxyl
90878,Substitute a nitro in the molecule CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] with halo.,CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-],nitro,halo
23661,Modify the molecule Fc1cccc(Cl)c1C[C@@H]1COCC[C@@H]1[NH2+]C1CC1 by substituting a halo with nitro.,Fc1cccc(Cl)c1C[C@@H]1COCC[C@@H]1[NH2+]C1CC1,halo,nitro
73822,Substitute a hydroxyl in the molecule Cc1nc(Cl)cc(NCC[C@H](O)c2ccccc2)n1 with carboxyl.,Cc1nc(Cl)cc(NCC[C@H](O)c2ccccc2)n1,hydroxyl,carboxyl
210017,Modify the molecule C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1[O-])c1ccc2c(c1)OCCO2 by replacing a halo by hydroxyl.,C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1[O-])c1ccc2c(c1)OCCO2,halo,hydroxyl
124904,Please substitute a halo in the molecule Cc1ccc(Oc2ccc(F)cc2C[NH2+]C2CC2)cc1 by carboxyl.,Cc1ccc(Oc2ccc(F)cc2C[NH2+]C2CC2)cc1,halo,carboxyl
52041,Modify the molecule COc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 by replacing a halo by nitrile.,COc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1,halo,nitrile
145519,Please substitute a halo in the molecule CC[C@H](C)[NH+](C)CCNC(=O)Nc1c(F)cccc1Br by hydroxyl.,CC[C@H](C)[NH+](C)CCNC(=O)Nc1c(F)cccc1Br,halo,hydroxyl
124363,Modify the molecule CN(Cc1cc(Br)cs1)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] by substituting a halo with nitrile.,CN(Cc1cc(Br)cs1)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+],halo,nitrile
181772,Modify the molecule C[C@@]([NH3+])(Cc1nccs1)c1ccc(Br)cc1 by replacing a halo by hydroxyl.,C[C@@]([NH3+])(Cc1nccs1)c1ccc(Br)cc1,halo,hydroxyl
12296,Substitute a halo in the molecule O=C(COc1ccc(Cl)cc1Cl)NCC[C@@H]1CCCOC1 with carboxyl.,O=C(COc1ccc(Cl)cc1Cl)NCC[C@@H]1CCCOC1,halo,carboxyl
213402,Please substitute a halo in the molecule C[C@H](C(=O)Nc1ccc(Br)cc1)[N+](C)(C)C1CCCC1 by carboxyl.,C[C@H](C(=O)Nc1ccc(Br)cc1)[N+](C)(C)C1CCCC1,halo,carboxyl
243730,Modify the molecule C[C@](O)(CNC(=O)Cc1ccccc1Cl)c1ccccc1 by replacing a hydroxyl by nitro.,C[C@](O)(CNC(=O)Cc1ccccc1Cl)c1ccccc1,hydroxyl,nitro
141138,Modify the molecule COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 by replacing a halo by nitrile.,COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1,halo,nitrile
31136,Please substitute a halo in the molecule COc1cccc([C@H](CO)NC(=O)NCCC(F)(F)F)c1 by hydroxyl.,COc1cccc([C@H](CO)NC(=O)NCCC(F)(F)F)c1,halo,hydroxyl
41009,Please replace a nitro in the molecule Cc1c(C[NH+](C)CCN2CCOCC2)cccc1[N+](=O)[O-] with aldehyde.,Cc1c(C[NH+](C)CCN2CCOCC2)cccc1[N+](=O)[O-],nitro,aldehyde
8248,Replace a halo in the molecule O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(F)cc1 by thiol.,O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(F)cc1,halo,thiol
155908,Modify the molecule COc1ccc(C[NH+](C)Cc2ccc(Br)cc2N)cc1 by replacing a halo by nitro.,COc1ccc(C[NH+](C)Cc2ccc(Br)cc2N)cc1,halo,nitro
153913,Please substitute a nitro in the molecule O=C1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O by aldehyde.,O=C1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O,nitro,aldehyde
182940,Please substitute a halo in the molecule O=C(COC1CCCC1)NNC(=O)c1ccc(F)cc1Br by aldehyde.,O=C(COC1CCCC1)NNC(=O)c1ccc(F)cc1Br,halo,aldehyde
52119,Please substitute a halo in the molecule O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Br)nc1 by hydroxyl.,O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Br)nc1,halo,hydroxyl
8485,Please substitute a halo in the molecule COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 by aldehyde.,COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1,halo,aldehyde
89487,Substitute a hydroxyl in the molecule COC(=O)[C@H](NC(=O)Cc1ccc(C)c(O)c1)C(C)(C)C with halo.,COC(=O)[C@H](NC(=O)Cc1ccc(C)c(O)c1)C(C)(C)C,hydroxyl,halo
185770,Modify the molecule O=c1ccc(C(F)(F)F)cn1CCOc1ccc([N+](=O)[O-])cc1 by replacing a halo by thiol.,O=c1ccc(C(F)(F)F)cn1CCOc1ccc([N+](=O)[O-])cc1,halo,thiol
114440,Substitute a nitro in the molecule CCOCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] with aldehyde.,CCOCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-],nitro,aldehyde
241697,Please replace a halo in the molecule CC(C)(NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)cc1Cl with nitrile.,CC(C)(NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)cc1Cl,halo,nitrile
235404,Modify the molecule Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 by replacing a nitro by aldehyde.,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1,nitro,aldehyde
81866,Modify the molecule CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C)C2)cc1F by replacing a halo by nitrile.,CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C)C2)cc1F,halo,nitrile
100957,Please substitute a nitro in the molecule CCOc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 by nitrile.,CCOc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1,nitro,nitrile
225595,Please replace a halo in the molecule CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 with carboxyl.,CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1,halo,carboxyl
158638,Modify the molecule C[C@H](c1ccco1)[NH+](CCC(=O)Nc1cc(N)ccc1F)C1CC1 by replacing a halo by nitrile.,C[C@H](c1ccco1)[NH+](CCC(=O)Nc1cc(N)ccc1F)C1CC1,halo,nitrile
119631,Modify the molecule N#Cc1ccccc1N1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 by substituting a halo with hydroxyl.,N#Cc1ccccc1N1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,halo,hydroxyl
103882,Replace a halo in the molecule CCOC(=O)COc1ccc(Br)cc1F by nitrile.,CCOC(=O)COc1ccc(Br)cc1F,halo,nitrile
113684,Substitute a halo in the molecule Cl[C@@H]1CCCC[C@@H]1[C@@H]1CCOC2(CCSCC2)C1 with nitro.,Cl[C@@H]1CCCC[C@@H]1[C@@H]1CCOC2(CCSCC2)C1,halo,nitro
33074,Please substitute a hydroxyl in the molecule Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)c1 by nitro.,Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)c1,hydroxyl,nitro
97461,Modify the molecule NC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 by replacing a halo by hydroxyl.,NC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1,halo,hydroxyl
225453,Modify the molecule CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C#N by replacing a nitrile by nitro.,CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C#N,nitrile,nitro
215583,Please substitute a halo in the molecule CNC(=O)CCCn1cc(C(=O)[O-])cc1Br by thiol.,CNC(=O)CCCn1cc(C(=O)[O-])cc1Br,halo,thiol
101103,Replace a hydroxyl in the molecule Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c(C)n2n1 by thiol.,Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c(C)n2n1,hydroxyl,thiol
136849,Please replace a nitro in the molecule Cc1ccccc1/[NH+]=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO with aldehyde.,Cc1ccccc1/[NH+]=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO,nitro,aldehyde
9091,Modify the molecule O=C(COc1ccc(Br)cc1/C=C1\SC(=O)NC1=O)Nc1ccc2ccccc2c1 by substituting a halo with carboxyl.,O=C(COc1ccc(Br)cc1/C=C1\SC(=O)NC1=O)Nc1ccc2ccccc2c1,halo,carboxyl
134088,Please substitute a halo in the molecule C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1 by hydroxyl.,C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1,halo,hydroxyl
60829,Modify the molecule CCN1CCO[C@@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1 by replacing a halo by nitrile.,CCN1CCO[C@@H](CCNC(=O)c2cc(Cl)c[nH]c2=O)C1,halo,nitrile
31530,Please replace a halo in the molecule Clc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cn1 with hydroxyl.,Clc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cn1,halo,hydroxyl
51015,Modify the molecule Cc1cnc(C)c(N2CCN(C[C@]3(O)CC[NH2+]C3)CC2)n1 by replacing a hydroxyl by aldehyde.,Cc1cnc(C)c(N2CCN(C[C@]3(O)CC[NH2+]C3)CC2)n1,hydroxyl,aldehyde
188726,Modify the molecule O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 by substituting a halo with nitrile.,O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1,halo,nitrile
151935,Modify the molecule Cc1ccsc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 by replacing a halo by nitro.,Cc1ccsc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21,halo,nitro
222126,Please substitute a halo in the molecule COc1ccc(OCc2ncc(Cl)n2C)c(CO)c1 by aldehyde.,COc1ccc(OCc2ncc(Cl)n2C)c(CO)c1,halo,aldehyde
193084,Please substitute a nitro in the molecule Cc1sc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2c1C by aldehyde.,Cc1sc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2c1C,nitro,aldehyde
157063,Please replace a halo in the molecule CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 with thiol.,CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1,halo,thiol
221363,Modify the molecule CC(C)Cc1ncc(CNc2ccc(S(=O)(=O)C(F)F)cc2)s1 by replacing a halo by nitro.,CC(C)Cc1ncc(CNc2ccc(S(=O)(=O)C(F)F)cc2)s1,halo,nitro
129774,Modify the molecule C[C@H]1COC[C@H](C)N1C(=O)c1cc(F)c(F)cc1Cl by substituting a halo with nitro.,C[C@H]1COC[C@H](C)N1C(=O)c1cc(F)c(F)cc1Cl,halo,nitro
109150,Please replace a halo in the molecule O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Br)o1)CC2)c1cccs1 with hydroxyl.,O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Br)o1)CC2)c1cccs1,halo,hydroxyl
62707,Modify the molecule CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccc(F)c(Cl)c1 by substituting a halo with aldehyde.,CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccc(F)c(Cl)c1,halo,aldehyde
168396,Please replace a nitrile in the molecule C[C@@H](C#N)Sc1nnc(N2CCCCC2)n1-c1ccccc1 with aldehyde.,C[C@@H](C#N)Sc1nnc(N2CCCCC2)n1-c1ccccc1,nitrile,aldehyde
109160,Please replace a halo in the molecule Cc1ccc([C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1F with aldehyde.,Cc1ccc([C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1F,halo,aldehyde
55738,Replace a halo in the molecule C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1OCC(F)(F)F by thiol.,C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1OCC(F)(F)F,halo,thiol
129253,Replace a halo in the molecule NC(=O)c1cccc(C(=O)NCc2cc(Br)cs2)c1 by aldehyde.,NC(=O)c1cccc(C(=O)NCc2cc(Br)cs2)c1,halo,aldehyde
241281,Substitute a hydroxyl in the molecule Cc1ccsc1[C@@](C)(O)c1cc(F)c(Cl)cc1Cl with aldehyde.,Cc1ccsc1[C@@](C)(O)c1cc(F)c(Cl)cc1Cl,hydroxyl,aldehyde
102717,Modify the molecule COC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1F by replacing a nitro by carboxyl.,COC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1F,nitro,carboxyl
186787,Please replace a halo in the molecule O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccc(F)c(Cl)c1 with nitro.,O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccc(F)c(Cl)c1,halo,nitro
89429,Replace a halo in the molecule Cc1c([C@@H](O)Cc2ccc(Cl)s2)cnn1C by aldehyde.,Cc1c([C@@H](O)Cc2ccc(Cl)s2)cnn1C,halo,aldehyde
1406,Modify the molecule N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 by substituting a nitrile with carboxyl.,N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1,nitrile,carboxyl
242609,Modify the molecule CCS(=O)(=O)N1CCC(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 by substituting a halo with thiol.,CCS(=O)(=O)N1CCC(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1,halo,thiol
173086,Modify the molecule O=C(N[C@@H]1CCCC[C@@H]1O)c1c(F)cc(Br)cc1F by substituting a hydroxyl with nitrile.,O=C(N[C@@H]1CCCC[C@@H]1O)c1c(F)cc(Br)cc1F,hydroxyl,nitrile
23917,Please replace a halo in the molecule C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C with hydroxyl.,C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C,halo,hydroxyl
150920,Modify the molecule O=C(NC[C@@H](O)C1CCCC1)NC1CCC([NH+]2CCCCC2)CC1 by substituting a hydroxyl with carboxyl.,O=C(NC[C@@H](O)C1CCCC1)NC1CCC([NH+]2CCCCC2)CC1,hydroxyl,carboxyl
179506,Replace a halo in the molecule Cc1noc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 by nitro.,Cc1noc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1,halo,nitro
36704,Please replace a halo in the molecule CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C with thiol.,CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C,halo,thiol
78898,Replace a nitrile in the molecule CC(C)N(Cc1ccc(C#N)cc1)C(=O)C=C1CCSCC1 by aldehyde.,CC(C)N(Cc1ccc(C#N)cc1)C(=O)C=C1CCSCC1,nitrile,aldehyde
73362,Modify the molecule O=Cc1ccc(OCCOc2ccccc2)cn1 by replacing a aldehyde by nitrile.,O=Cc1ccc(OCCOc2ccccc2)cn1,aldehyde,nitrile
76021,Please substitute a halo in the molecule C[C@H](C(=O)NCc1ccccc1F)N(C)CC[C@@H]1CCCC[NH+]1C by nitrile.,C[C@H](C(=O)NCc1ccccc1F)N(C)CC[C@@H]1CCCC[NH+]1C,halo,nitrile
182241,Please substitute a halo in the molecule CCn1nc(C)c(NC(=O)Nc2c(F)cccc2Br)c1C by hydroxyl.,CCn1nc(C)c(NC(=O)Nc2c(F)cccc2Br)c1C,halo,hydroxyl
173236,Modify the molecule CCOC(=O)C[C@](C)([NH3+])c1ccccc1Cl by substituting a halo with thiol.,CCOC(=O)C[C@](C)([NH3+])c1ccccc1Cl,halo,thiol
67316,Modify the molecule C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O by substituting a hydroxyl with halo.,C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O,hydroxyl,halo
16780,Substitute a halo in the molecule O=C(Cc1ccc(F)cc1)NNC(=O)C1(c2ccccc2)CCC1 with nitro.,O=C(Cc1ccc(F)cc1)NNC(=O)C1(c2ccccc2)CCC1,halo,nitro
98069,Please replace a nitrile in the molecule N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1 with nitro.,N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1,nitrile,nitro
248272,Modify the molecule COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F by substituting a halo with hydroxyl.,COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F,halo,hydroxyl
45855,Substitute a hydroxyl in the molecule CN(C)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 with thiol.,CN(C)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1,hydroxyl,thiol
41482,Modify the molecule CCN(CCC#N)C(=O)c1occc1Br by replacing a nitrile by aldehyde.,CCN(CCC#N)C(=O)c1occc1Br,nitrile,aldehyde
197297,Modify the molecule O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1Br by replacing a nitro by carboxyl.,O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1Br,nitro,carboxyl
183343,Please replace a hydroxyl in the molecule C[NH2+][C@]1(CO)CC[C@@H]([NH+](C)CCCOC)C1 with aldehyde.,C[NH2+][C@]1(CO)CC[C@@H]([NH+](C)CCCOC)C1,hydroxyl,aldehyde
10232,Substitute a nitrile in the molecule Cc1c(CN2CCCN(c3ncccn3)CC2)cc(C#N)n1C with aldehyde.,Cc1c(CN2CCCN(c3ncccn3)CC2)cc(C#N)n1C,nitrile,aldehyde
222075,Substitute a hydroxyl in the molecule O=C(NCc1cccs1)NCC1(O)CCCC1 with nitrile.,O=C(NCc1cccs1)NCC1(O)CCCC1,hydroxyl,nitrile
211089,Please replace a hydroxyl in the molecule CC1(C)C[C@H]2[C@@H](O)C3=C(C[C@](C)(O)[C@@H]2C1)C(=O)O[C@H]3O with halo.,CC1(C)C[C@H]2[C@@H](O)C3=C(C[C@](C)(O)[C@@H]2C1)C(=O)O[C@H]3O,hydroxyl,halo
71859,Please replace a hydroxyl in the molecule CC[C@@H](O)C[NH+](CC(F)(F)F)C1CCCC1 with thiol.,CC[C@@H](O)C[NH+](CC(F)(F)F)C1CCCC1,hydroxyl,thiol
221357,Substitute a halo in the molecule Cc1[nH+]ccn1CCNC(=O)CN(C)c1nc2c(F)cccc2s1 with carboxyl.,Cc1[nH+]ccn1CCNC(=O)CN(C)c1nc2c(F)cccc2s1,halo,carboxyl
169312,Substitute a nitrile in the molecule C[C@H](O)c1cc[nH+]c(N(C)C[C@@H](C)C#N)c1 with thiol.,C[C@H](O)c1cc[nH+]c(N(C)C[C@@H](C)C#N)c1,nitrile,thiol
156266,Please substitute a hydroxyl in the molecule CC1(NC(=O)NCCCc2ccc(O)cc2)Cc2ccccc2C1 by thiol.,CC1(NC(=O)NCCCc2ccc(O)cc2)Cc2ccccc2C1,hydroxyl,thiol
7726,Replace a halo in the molecule CN(CCN1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 by thiol.,CN(CCN1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1,halo,thiol
213795,Replace a nitrile in the molecule C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(F)c(C#N)c1 by hydroxyl.,C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(F)c(C#N)c1,nitrile,hydroxyl
88455,Substitute a halo in the molecule COc1cc(CNn2cnnc2)cc(Br)c1OC with carboxyl.,COc1cc(CNn2cnnc2)cc(Br)c1OC,halo,carboxyl
22399,Please substitute a hydroxyl in the molecule CC(=O)N(CCc1ccc(F)cc1)CC1=CCC[NH+](CCO)C1 by thiol.,CC(=O)N(CCc1ccc(F)cc1)CC1=CCC[NH+](CCO)C1,hydroxyl,thiol
39960,Please substitute a halo in the molecule NC(=O)c1ccccc1OCc1ccc(OCC(F)(F)F)cc1 by thiol.,NC(=O)c1ccccc1OCc1ccc(OCC(F)(F)F)cc1,halo,thiol
234546,Please substitute a halo in the molecule CC[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1nc(C)cs1 by hydroxyl.,CC[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1nc(C)cs1,halo,hydroxyl
51386,Please replace a halo in the molecule CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 with carboxyl.,CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1,halo,carboxyl
21668,Replace a nitro in the molecule CO[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1 by carboxyl.,CO[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1,nitro,carboxyl
26457,Modify the molecule Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 by substituting a nitrile with thiol.,Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1,nitrile,thiol
182318,Substitute a halo in the molecule COc1ccc(F)cc1NC(=O)NCCCNC(C)=O with nitrile.,COc1ccc(F)cc1NC(=O)NCCCNC(C)=O,halo,nitrile
158408,Replace a halo in the molecule N#C[C@@H]1CNCCN1C(=O)Nc1ccccc1C(F)(F)F by aldehyde.,N#C[C@@H]1CNCCN1C(=O)Nc1ccccc1C(F)(F)F,halo,aldehyde
233361,Please substitute a halo in the molecule C[NH2+][C@H](C)c1ccc(N(C)C2CCCC2)c(F)c1 by nitrile.,C[NH2+][C@H](C)c1ccc(N(C)C2CCCC2)c(F)c1,halo,nitrile
9396,Modify the molecule FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1 by substituting a halo with thiol.,FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1,halo,thiol
37610,Modify the molecule CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C by replacing a halo by thiol.,CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C,halo,thiol
141260,Replace a nitrile in the molecule N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CCc1cccnc1 by carboxyl.,N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CCc1cccnc1,nitrile,carboxyl
16027,Please substitute a halo in the molecule COC(=O)c1ccc(F)c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)c1 by carboxyl.,COC(=O)c1ccc(F)c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)c1,halo,carboxyl
201498,Replace a halo in the molecule CNS(=O)(=O)c1cc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)ccc1F by carboxyl.,CNS(=O)(=O)c1cc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)ccc1F,halo,carboxyl
97257,Modify the molecule C/C=C\c1ccc(OC[C@H](O)CN2C(=O)c3cccc4cccc2c34)c(OC)c1 by substituting a hydroxyl with halo.,C/C=C\c1ccc(OC[C@H](O)CN2C(=O)c3cccc4cccc2c34)c(OC)c1,hydroxyl,halo
244274,Substitute a hydroxyl in the molecule C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc(-c2ccccc2)cc1 with halo.,C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc(-c2ccccc2)cc1,hydroxyl,halo
243319,Modify the molecule Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] by substituting a nitro with halo.,Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-],nitro,halo
166842,Substitute a nitrile in the molecule COc1ccc(CC(=O)CC#N)cc1 with thiol.,COc1ccc(CC(=O)CC#N)cc1,nitrile,thiol
112514,Please replace a nitrile in the molecule C=CC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 with aldehyde.,C=CC1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1,nitrile,aldehyde
142648,Please replace a hydroxyl in the molecule N#Cc1ccc(OCCNC(=O)NCCc2cccc(O)c2)cc1 with aldehyde.,N#Cc1ccc(OCCNC(=O)NCCc2cccc(O)c2)cc1,hydroxyl,aldehyde
111886,Please substitute a halo in the molecule CC[NH2+][C@@H](c1ccc(F)cc1Cl)[C@H](C)c1ccccn1 by carboxyl.,CC[NH2+][C@@H](c1ccc(F)cc1Cl)[C@H](C)c1ccccn1,halo,carboxyl
93169,Replace a halo in the molecule Cc1nc(C[NH+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cs1 by aldehyde.,Cc1nc(C[NH+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cs1,halo,aldehyde
55179,Modify the molecule CC(C)c1cc(C(=O)OCCOc2cncc(Cl)n2)nn1C by replacing a halo by thiol.,CC(C)c1cc(C(=O)OCCOc2cncc(Cl)n2)nn1C,halo,thiol
206841,Modify the molecule O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1I by replacing a halo by aldehyde.,O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1I,halo,aldehyde
78576,Please replace a hydroxyl in the molecule O[C@@H](C/N=C/c1ccc(Cl)cc1)c1ccccc1 with nitro.,O[C@@H](C/N=C/c1ccc(Cl)cc1)c1ccccc1,hydroxyl,nitro
228630,Replace a halo in the molecule COc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)cc3)C(=O)O2)cc1Br by nitro.,COc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)cc3)C(=O)O2)cc1Br,halo,nitro
237176,Substitute a halo in the molecule C[C@@H]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@@H]1O with nitro.,C[C@@H]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@@H]1O,halo,nitro
175147,Modify the molecule CCOc1cc(F)ccc1NC(=O)NCc1cn(-c2ccccc2)nn1 by replacing a halo by carboxyl.,CCOc1cc(F)ccc1NC(=O)NCc1cn(-c2ccccc2)nn1,halo,carboxyl
216043,Modify the molecule COc1ccc(F)c(NCc2cc(C(N)=O)cs2)c1 by replacing a halo by hydroxyl.,COc1ccc(F)c(NCc2cc(C(N)=O)cs2)c1,halo,hydroxyl
191207,Modify the molecule CCn1nc(C)c(NC(=O)N(C)Cc2ccc(Br)cc2)c1C by substituting a halo with nitro.,CCn1nc(C)c(NC(=O)N(C)Cc2ccc(Br)cc2)c1C,halo,nitro
106710,Substitute a halo in the molecule Cn1c(CC(=O)NNC(=O)c2cc(Cl)c[nH]2)nc2ccccc21 with thiol.,Cn1c(CC(=O)NNC(=O)c2cc(Cl)c[nH]2)nc2ccccc21,halo,thiol
73858,Modify the molecule C[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[NH2+]1 by substituting a halo with nitro.,C[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[NH2+]1,halo,nitro
162326,Replace a halo in the molecule COc1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)c(OC)c1 by nitro.,COc1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)c(OC)c1,halo,nitro
48196,Modify the molecule Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[NH+]3Cc3cn[nH]c3C(C)(C)C)cc2n1 by replacing a halo by carboxyl.,Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[NH+]3Cc3cn[nH]c3C(C)(C)C)cc2n1,halo,carboxyl
27249,Please replace a halo in the molecule O=S(=O)(NCc1nnc2ccccn12)c1ccc(Cl)c(Cl)c1 with aldehyde.,O=S(=O)(NCc1nnc2ccccn12)c1ccc(Cl)c(Cl)c1,halo,aldehyde
16539,Please substitute a hydroxyl in the molecule CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O by nitro.,CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O,hydroxyl,nitro
165903,Replace a nitrile in the molecule Cc1ccc(O[C@@H](C)C#N)c(C[NH3+])n1 by carboxyl.,Cc1ccc(O[C@@H](C)C#N)c(C[NH3+])n1,nitrile,carboxyl
9860,Modify the molecule CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(C#N)cc1 by substituting a nitrile with aldehyde.,CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(C#N)cc1,nitrile,aldehyde
223254,Modify the molecule CN(CCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)S(=O)(=O)c1ccc(F)cc1 by substituting a halo with thiol.,CN(CCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)S(=O)(=O)c1ccc(F)cc1,halo,thiol
2553,Modify the molecule CCc1nc(COC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cs1 by replacing a halo by aldehyde.,CCc1nc(COC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cs1,halo,aldehyde
222996,Modify the molecule CCc1ccc(O[C@H](CC)C(=O)[O-])c(Cl)c1 by replacing a halo by aldehyde.,CCc1ccc(O[C@H](CC)C(=O)[O-])c(Cl)c1,halo,aldehyde
103303,Replace a hydroxyl in the molecule CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 by aldehyde.,CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1,hydroxyl,aldehyde
139884,Replace a halo in the molecule C[C@H](Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1Cl)c1ccccc1 by nitro.,C[C@H](Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1Cl)c1ccccc1,halo,nitro
19476,Modify the molecule NC(=O)[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CCO1 by replacing a halo by aldehyde.,NC(=O)[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CCO1,halo,aldehyde
207513,Replace a halo in the molecule COc1cccc(OC)c1C(=O)N1CCN(c2nccn2-c2ccccc2F)CC1 by thiol.,COc1cccc(OC)c1C(=O)N1CCN(c2nccn2-c2ccccc2F)CC1,halo,thiol
229336,Replace a nitrile in the molecule CCc1ccc([C@H]2CC(=O)N=C(SCC(=O)OC(C)C)[C@H]2C#N)cc1 by aldehyde.,CCc1ccc([C@H]2CC(=O)N=C(SCC(=O)OC(C)C)[C@H]2C#N)cc1,nitrile,aldehyde
47703,Modify the molecule Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] by replacing a nitro by nitrile.,Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-],nitro,nitrile
82670,Please substitute a halo in the molecule CC(=O)Nc1nc(COc2ccc(C(C)=O)c(F)c2)cs1 by hydroxyl.,CC(=O)Nc1nc(COc2ccc(C(C)=O)c(F)c2)cs1,halo,hydroxyl
94317,Modify the molecule CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O by replacing a halo by nitro.,CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O,halo,nitro
180800,Modify the molecule O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl by replacing a halo by carboxyl.,O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl,halo,carboxyl
197706,Modify the molecule Cc1ccc([C@H](C)NC(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] by substituting a nitro with thiol.,Cc1ccc([C@H](C)NC(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-],nitro,thiol
91699,Substitute a halo in the molecule C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1 with thiol.,C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1,halo,thiol
87485,Replace a halo in the molecule CN(C)c1ccc(N(C)Cc2nc(COc3ccc(F)cc3)no2)cc1 by nitro.,CN(C)c1ccc(N(C)Cc2nc(COc3ccc(F)cc3)no2)cc1,halo,nitro
41999,Substitute a halo in the molecule O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2ccc(Br)cc2)CCC1 with nitrile.,O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2ccc(Br)cc2)CCC1,halo,nitrile
249160,Substitute a halo in the molecule Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1 with carboxyl.,Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1,halo,carboxyl
79936,Please replace a hydroxyl in the molecule COc1cc(Cl)cc(/C=N/NC(=O)[C@@H]2C=C(c3ccccc3)N=N2)c1O with thiol.,COc1cc(Cl)cc(/C=N/NC(=O)[C@@H]2C=C(c3ccccc3)N=N2)c1O,hydroxyl,thiol
150567,Substitute a nitrile in the molecule Cc1nc(N2CCN(c3ccccc3C#N)CC2)c2cc[nH]c2n1 with aldehyde.,Cc1nc(N2CCN(c3ccccc3C#N)CC2)c2cc[nH]c2n1,nitrile,aldehyde
117386,Please substitute a halo in the molecule CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 by carboxyl.,CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1,halo,carboxyl
61284,Modify the molecule Cc1ncccc1C(=O)N1CCCC[C@@H]1C[C@@H](C)O by replacing a hydroxyl by nitrile.,Cc1ncccc1C(=O)N1CCCC[C@@H]1C[C@@H](C)O,hydroxyl,nitrile
202339,Please substitute a nitrile in the molecule C[C@H]1C[C@@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1 by carboxyl.,C[C@H]1C[C@@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1,nitrile,carboxyl
246340,Modify the molecule Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 by substituting a halo with hydroxyl.,Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1,halo,hydroxyl
86536,Modify the molecule C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[C@H]1CCCO1 by substituting a halo with nitrile.,C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[C@H]1CCCO1,halo,nitrile
92624,Modify the molecule O[C@@H](CC[C@@H]1COc2ccccc21)c1ccccc1 by replacing a hydroxyl by nitro.,O[C@@H](CC[C@@H]1COc2ccccc21)c1ccccc1,hydroxyl,nitro
200210,Modify the molecule Cc1ccccc1CCCNc1ccccc1C(=O)N1CCC[C@H]1CO by substituting a hydroxyl with aldehyde.,Cc1ccccc1CCCNc1ccccc1C(=O)N1CCC[C@H]1CO,hydroxyl,aldehyde
54614,Substitute a hydroxyl in the molecule O=S1(=O)C[C@H](O)[C@@H](NCC/[NH+]=C/c2ccccc2)C1 with thiol.,O=S1(=O)C[C@H](O)[C@@H](NCC/[NH+]=C/c2ccccc2)C1,hydroxyl,thiol
171471,Please replace a halo in the molecule CO[C@H]1CCC[C@@H]1OC(=O)c1cc(Br)ccc1F with nitrile.,CO[C@H]1CCC[C@@H]1OC(=O)c1cc(Br)ccc1F,halo,nitrile
143051,Replace a halo in the molecule C[NH+](C)Cc1[nH+][nH]c(N)c1-c1ccc(Cl)cc1 by nitro.,C[NH+](C)Cc1[nH+][nH]c(N)c1-c1ccc(Cl)cc1,halo,nitro
244375,Replace a nitrile in the molecule N#Cc1c(-c2ccncc2)c2c([nH]c1=S)CCCC2 by thiol.,N#Cc1c(-c2ccncc2)c2c([nH]c1=S)CCCC2,nitrile,thiol
59973,Substitute a halo in the molecule Fc1cccc([C@@H](CBr)CC[C@H]2CCCO2)c1 with aldehyde.,Fc1cccc([C@@H](CBr)CC[C@H]2CCCO2)c1,halo,aldehyde
228823,Please replace a hydroxyl in the molecule Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1Cc1cccs1 with nitro.,Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1Cc1cccs1,hydroxyl,nitro
224062,Replace a halo in the molecule O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CC(=O)N(C2CC2)C1 by hydroxyl.,O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CC(=O)N(C2CC2)C1,halo,hydroxyl
246688,Replace a halo in the molecule Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[C@@H]1CCCO1 by carboxyl.,Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[C@@H]1CCCO1,halo,carboxyl
127009,Please substitute a halo in the molecule O=C(c1cc(F)cc2nccnc12)N1CCc2cc(F)ccc2C1 by nitrile.,O=C(c1cc(F)cc2nccnc12)N1CCc2cc(F)ccc2C1,halo,nitrile
95302,Please replace a halo in the molecule CCN(C(=O)NCc1cc(Br)cs1)[C@@H](C)c1cccc(OC)c1 with thiol.,CCN(C(=O)NCc1cc(Br)cs1)[C@@H](C)c1cccc(OC)c1,halo,thiol
114554,Replace a halo in the molecule O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[NH+](CCO)CC1 by nitro.,O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[NH+](CCO)CC1,halo,nitro
67938,Please replace a hydroxyl in the molecule COc1cc(F)cc(NNC(=O)C[C@H](O)c2ccccc2)c1 with thiol.,COc1cc(F)cc(NNC(=O)C[C@H](O)c2ccccc2)c1,hydroxyl,thiol
37061,Modify the molecule CCOc1ccc(OCC)c(NCc2cc(C#N)cs2)c1 by substituting a nitrile with aldehyde.,CCOc1ccc(OCC)c(NCc2cc(C#N)cs2)c1,nitrile,aldehyde
4845,Modify the molecule Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 by replacing a halo by aldehyde.,Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1,halo,aldehyde
227921,Modify the molecule C[C@@H]1CO[C@H](CO)CN1Cc1c(Cl)nc2sccn12 by substituting a halo with nitro.,C[C@@H]1CO[C@H](CO)CN1Cc1c(Cl)nc2sccn12,halo,nitro
161794,Modify the molecule Cc1cc(OCC(=O)NCC[C@H](O)c2ccccc2)ccc1Cl by substituting a halo with hydroxyl.,Cc1cc(OCC(=O)NCC[C@H](O)c2ccccc2)ccc1Cl,halo,hydroxyl
135308,Please substitute a halo in the molecule C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Br by hydroxyl.,C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Br,halo,hydroxyl
24429,Replace a halo in the molecule Cc1nnc(SCc2ccnc(Cl)c2)n1CC(N)=O by thiol.,Cc1nnc(SCc2ccnc(Cl)c2)n1CC(N)=O,halo,thiol
235701,Modify the molecule CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 by substituting a halo with aldehyde.,CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,halo,aldehyde
117812,Modify the molecule O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 by substituting a hydroxyl with thiol.,O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1,hydroxyl,thiol
222613,Modify the molecule CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 by replacing a halo by aldehyde.,CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1,halo,aldehyde
97597,Modify the molecule C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O by substituting a hydroxyl with nitro.,C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O,hydroxyl,nitro
200942,Replace a nitro in the molecule CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 by hydroxyl.,CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc([N+](=O)[O-])c3)nc12,nitro,hydroxyl
215844,Modify the molecule CCOC(=O)C(=O)NNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 by substituting a halo with nitro.,CCOC(=O)C(=O)NNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1,halo,nitro
190883,Please substitute a hydroxyl in the molecule Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)CCCO by carboxyl.,Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)CCCO,hydroxyl,carboxyl
42578,Replace a halo in the molecule CCOC(=O)[C@@H](C)Sc1nnc2n1CCN2c1ccc(F)cc1 by aldehyde.,CCOC(=O)[C@@H](C)Sc1nnc2n1CCN2c1ccc(F)cc1,halo,aldehyde
31689,Substitute a nitrile in the molecule N#Cc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1 with thiol.,N#Cc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1,nitrile,thiol
180859,Substitute a halo in the molecule Cc1ccc(C(=O)Cn2cnc3cccc(Br)c3c2=O)cc1 with hydroxyl.,Cc1ccc(C(=O)Cn2cnc3cccc(Br)c3c2=O)cc1,halo,hydroxyl
113934,Modify the molecule Cc1nccn1-c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1F by replacing a halo by nitro.,Cc1nccn1-c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1F,halo,nitro
38434,Substitute a halo in the molecule CC(C)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccncc1 with thiol.,CC(C)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccncc1,halo,thiol
9407,Please substitute a halo in the molecule O=C(NCCc1ccc(Cl)cc1)C1CC1 by hydroxyl.,O=C(NCCc1ccc(Cl)cc1)C1CC1,halo,hydroxyl
75205,Please substitute a nitrile in the molecule N#Cc1ccc(F)c(CNC(=O)CCNS(=O)(=O)c2cccnc2)c1 by nitro.,N#Cc1ccc(F)c(CNC(=O)CCNS(=O)(=O)c2cccnc2)c1,nitrile,nitro
209164,Please replace a halo in the molecule CC1=C2[C@H](c3ccccc3Br)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 with nitrile.,CC1=C2[C@H](c3ccccc3Br)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1,halo,nitrile
71916,Substitute a halo in the molecule O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 with carboxyl.,O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,halo,carboxyl
82927,Please substitute a nitro in the molecule Cc1nn(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] by thiol.,Cc1nn(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-],nitro,thiol
175795,Substitute a nitro in the molecule COc1ccnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 with nitrile.,COc1ccnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1,nitro,nitrile
33120,Modify the molecule O[C@H](CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1 by replacing a hydroxyl by nitro.,O[C@H](CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1,hydroxyl,nitro
74847,Replace a nitrile in the molecule CC(=O)c1ccnc(N2CCO[C@H](C#N)C2)c1 by aldehyde.,CC(=O)c1ccnc(N2CCO[C@H](C#N)C2)c1,nitrile,aldehyde
232837,Modify the molecule Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Br by replacing a halo by thiol.,Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Br,halo,thiol
49745,Please substitute a hydroxyl in the molecule CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]23O[C@H]13 by carboxyl.,CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]23O[C@H]13,hydroxyl,carboxyl
93942,Please replace a nitrile in the molecule CC(C)(C)[C@H](C#N)NC(=O)c1cnc(-c2ccoc2)s1 with carboxyl.,CC(C)(C)[C@H](C#N)NC(=O)c1cnc(-c2ccoc2)s1,nitrile,carboxyl
89654,Replace a halo in the molecule Cc1csc(NC(=O)[C@@H](C)CCc2cccc(F)c2)n1 by hydroxyl.,Cc1csc(NC(=O)[C@@H](C)CCc2cccc(F)c2)n1,halo,hydroxyl
8819,Substitute a hydroxyl in the molecule CCCc1nn([C@@H]2CCCC[C@H]2O)c(=O)o1 with nitrile.,CCCc1nn([C@@H]2CCCC[C@H]2O)c(=O)o1,hydroxyl,nitrile
83153,Modify the molecule O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 by replacing a halo by nitrile.,O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12,halo,nitrile
22310,Modify the molecule O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl by substituting a nitro with hydroxyl.,O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl,nitro,hydroxyl
158326,Replace a nitro in the molecule Cc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)n2N)cc1 by nitrile.,Cc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)n2N)cc1,nitro,nitrile
235716,Replace a halo in the molecule Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 by thiol.,Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1,halo,thiol
171497,Substitute a nitrile in the molecule CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 with thiol.,CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1,nitrile,thiol
105702,Modify the molecule O=C([O-])c1cc(Sc2ccc([N+](=O)[O-])cc2)cs1 by substituting a nitro with hydroxyl.,O=C([O-])c1cc(Sc2ccc([N+](=O)[O-])cc2)cs1,nitro,hydroxyl
16534,Please substitute a nitrile in the molecule N#C[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1Br by aldehyde.,N#C[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1Br,nitrile,aldehyde
147324,Replace a halo in the molecule Clc1cc(-n2cnnn2)ccc1-c1nc(-c2cnccn2)no1 by nitrile.,Clc1cc(-n2cnnn2)ccc1-c1nc(-c2cnccn2)no1,halo,nitrile
164413,Please replace a halo in the molecule Cc1cc(CCNS(=O)(=O)c2cccc(Cl)c2)on1 with nitro.,Cc1cc(CCNS(=O)(=O)c2cccc(Cl)c2)on1,halo,nitro
157850,Please substitute a nitro in the molecule C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 by aldehyde.,C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,nitro,aldehyde
180142,Modify the molecule CNC(=O)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1 by substituting a halo with aldehyde.,CNC(=O)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1,halo,aldehyde
96737,Modify the molecule COc1c([C@@H](O)c2ccc(OC(C)C)cc2)c(C)nn1C by substituting a hydroxyl with carboxyl.,COc1c([C@@H](O)c2ccc(OC(C)C)cc2)c(C)nn1C,hydroxyl,carboxyl
225255,Please replace a nitro in the molecule CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] with halo.,CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-],nitro,halo
227618,Modify the molecule C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 by replacing a halo by hydroxyl.,C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1,halo,hydroxyl
80004,Replace a halo in the molecule Cc1ccc(F)c(C(=O)c2ccc(F)c(Br)c2)c1 by nitro.,Cc1ccc(F)c(C(=O)c2ccc(F)c(Br)c2)c1,halo,nitro
146229,Replace a halo in the molecule O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2ccc(F)cc2)CC1 by thiol.,O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2ccc(F)cc2)CC1,halo,thiol
150547,Modify the molecule O=C(NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc2c(c1)OCO2 by substituting a halo with nitro.,O=C(NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc2c(c1)OCO2,halo,nitro
54975,Substitute a halo in the molecule COc1cc(OC)c(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1Cl with aldehyde.,COc1cc(OC)c(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1Cl,halo,aldehyde
1041,Substitute a halo in the molecule O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)c1ccccn1 with hydroxyl.,O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)c1ccccn1,halo,hydroxyl
33725,Modify the molecule CS(=O)(=O)c1ccccc1C(=O)NCCSc1ccc(Cl)cc1 by replacing a halo by aldehyde.,CS(=O)(=O)c1ccccc1C(=O)NCCSc1ccc(Cl)cc1,halo,aldehyde
91426,Modify the molecule Cc1cc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)ccc1Cl by replacing a halo by thiol.,Cc1cc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)ccc1Cl,halo,thiol
190801,Modify the molecule O=C(NCc1ccc(Cl)cc1)c1ccccc1Cl by replacing a halo by aldehyde.,O=C(NCc1ccc(Cl)cc1)c1ccccc1Cl,halo,aldehyde
81039,Please replace a halo in the molecule CC(C)Oc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 with hydroxyl.,CC(C)Oc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1,halo,hydroxyl
158728,Please substitute a nitro in the molecule CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] by hydroxyl.,CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-],nitro,hydroxyl
148913,Please substitute a halo in the molecule O=C(NCCN1CCOCC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 by nitro.,O=C(NCCN1CCOCC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1,halo,nitro
213056,Please substitute a halo in the molecule O=C(CNC(=O)Cc1cccc(F)c1)NCc1nccc2ccccc12 by hydroxyl.,O=C(CNC(=O)Cc1cccc(F)c1)NCc1nccc2ccccc12,halo,hydroxyl
242201,Please substitute a halo in the molecule CC[C@@]1(C)C[C@@](Nc2cc(C)cc(F)c2)(C(N)=O)CCO1 by nitro.,CC[C@@]1(C)C[C@@](Nc2cc(C)cc(F)c2)(C(N)=O)CCO1,halo,nitro
104286,Please substitute a halo in the molecule O=C(NCCc1c(F)cccc1F)Nc1nccs1 by hydroxyl.,O=C(NCCc1c(F)cccc1F)Nc1nccs1,halo,hydroxyl
28757,Please substitute a halo in the molecule Nc1c(Br)cnn1-c1ncccn1 by thiol.,Nc1c(Br)cnn1-c1ncccn1,halo,thiol
220560,Modify the molecule CC[C@@H](C)[C@@]1(O)CSCC(C)(C)C1 by substituting a hydroxyl with aldehyde.,CC[C@@H](C)[C@@]1(O)CSCC(C)(C)C1,hydroxyl,aldehyde
101409,Modify the molecule CC(C)=CC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O by replacing a halo by nitrile.,CC(C)=CC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O,halo,nitrile
223542,Replace a halo in the molecule CN(C)c1ccc(NC(=O)NNc2ccc(F)c(F)c2F)c[nH+]1 by thiol.,CN(C)c1ccc(NC(=O)NNc2ccc(F)c(F)c2F)c[nH+]1,halo,thiol
227483,Modify the molecule COCCn1nc(/C([O-])=N/S(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O by replacing a nitrile by hydroxyl.,COCCn1nc(/C([O-])=N/S(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O,nitrile,hydroxyl
199452,Replace a hydroxyl in the molecule CCc1cc(C[C@]2(O)CS[C@@H](C)C2)n(CC)n1 by nitrile.,CCc1cc(C[C@]2(O)CS[C@@H](C)C2)n(CC)n1,hydroxyl,nitrile
83519,Modify the molecule COCCCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 by substituting a halo with aldehyde.,COCCCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1,halo,aldehyde
181818,Modify the molecule COC(=O)Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F by substituting a halo with nitrile.,COC(=O)Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F,halo,nitrile
2082,Modify the molecule O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 by substituting a halo with hydroxyl.,O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1,halo,hydroxyl
66006,Modify the molecule O=C(C=C1CCSCC1)N[C@H](c1ccccc1)c1ccc(F)cc1 by replacing a halo by nitrile.,O=C(C=C1CCSCC1)N[C@H](c1ccccc1)c1ccc(F)cc1,halo,nitrile
98134,Modify the molecule COc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 by replacing a halo by carboxyl.,COc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1,halo,carboxyl
153499,Please substitute a halo in the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 by thiol.,C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1,halo,thiol
91417,Substitute a hydroxyl in the molecule CCC(CC)[C@@H](O)CNc1ccc(-n2ccc(C)n2)nn1 with nitrile.,CCC(CC)[C@@H](O)CNc1ccc(-n2ccc(C)n2)nn1,hydroxyl,nitrile
154719,Substitute a halo in the molecule O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 with carboxyl.,O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1,halo,carboxyl
148174,Substitute a halo in the molecule Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)c1 with nitro.,Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)c1,halo,nitro
55547,Replace a halo in the molecule Cc1ccc(C(=O)CSc2ncccc2Cl)s1 by aldehyde.,Cc1ccc(C(=O)CSc2ncccc2Cl)s1,halo,aldehyde
187791,Modify the molecule O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)[C@H]1Cc2ccccc2O1 by replacing a halo by nitro.,O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)[C@H]1Cc2ccccc2O1,halo,nitro
236714,Please substitute a halo in the molecule O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 by nitro.,O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1,halo,nitro
182006,Please replace a nitrile in the molecule COc1ccc(-c2c(C(C)=O)c(C)nc3sc(C#N)c(N)c23)cc1 with hydroxyl.,COc1ccc(-c2c(C(C)=O)c(C)nc3sc(C#N)c(N)c23)cc1,nitrile,hydroxyl
18704,Modify the molecule N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)c2cccc(F)c2)CC1 by replacing a halo by nitrile.,N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)c2cccc(F)c2)CC1,halo,nitrile
41520,Substitute a hydroxyl in the molecule Cc1ccnc([C@@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 with nitro.,Cc1ccnc([C@@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1,hydroxyl,nitro
57286,Substitute a halo in the molecule O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 with nitrile.,O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1,halo,nitrile
194143,Replace a hydroxyl in the molecule C[C@@H](CCCO)NC(=O)N[C@H]1CCCOc2ccccc21 by aldehyde.,C[C@@H](CCCO)NC(=O)N[C@H]1CCCOc2ccccc21,hydroxyl,aldehyde
183225,Please replace a hydroxyl in the molecule C[C@H](O)c1ccn(CC[C@@H]2CCCO2)c1 with aldehyde.,C[C@H](O)c1ccn(CC[C@@H]2CCCO2)c1,hydroxyl,aldehyde
51530,Modify the molecule CC[C@@H](CCO)CNS(=O)(=O)c1ccc(Cl)nc1 by substituting a halo with nitro.,CC[C@@H](CCO)CNS(=O)(=O)c1ccc(Cl)nc1,halo,nitro
206918,Please replace a halo in the molecule Cc1cc(C[NH2+]CCC(=O)NC2CC2)ccc1Br with thiol.,Cc1cc(C[NH2+]CCC(=O)NC2CC2)ccc1Br,halo,thiol
182153,Please replace a halo in the molecule O=C(N[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)c1ccc[nH]c1=O with nitrile.,O=C(N[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1)c1ccc[nH]c1=O,halo,nitrile
232574,Modify the molecule COc1cc(C=O)ccc1OCc1ccc(SC(F)F)cc1 by replacing a halo by nitro.,COc1cc(C=O)ccc1OCc1ccc(SC(F)F)cc1,halo,nitro
102742,Substitute a halo in the molecule C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 with nitro.,C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1Cc1ccc(Cl)cc1,halo,nitro
161131,Please substitute a halo in the molecule O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2Cl)[nH]n1 by aldehyde.,O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2Cl)[nH]n1,halo,aldehyde
55373,Please substitute a halo in the molecule Cc1cccc2[nH+]c(CNc3ccccc3CCC(F)(F)F)cn12 by thiol.,Cc1cccc2[nH+]c(CNc3ccccc3CCC(F)(F)F)cn12,halo,thiol
124385,Modify the molecule C[NH2+]C[C@H](C)C(=O)NCC#N by substituting a nitrile with nitro.,C[NH2+]C[C@H](C)C(=O)NCC#N,nitrile,nitro
145938,Modify the molecule O=C(Cc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 by replacing a nitro by hydroxyl.,O=C(Cc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1,nitro,hydroxyl
45753,Substitute a halo in the molecule C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br with nitro.,C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br,halo,nitro
73514,Modify the molecule CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c(OC)ccc3cc(Br)ccc23)C1 by replacing a halo by thiol.,CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c(OC)ccc3cc(Br)ccc23)C1,halo,thiol
204741,Modify the molecule C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 by replacing a halo by carboxyl.,C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1,halo,carboxyl
51288,Modify the molecule N#Cc1ccc(F)c(CNC(=O)NCC[C@H](O)c2ccccc2)c1 by substituting a halo with aldehyde.,N#Cc1ccc(F)c(CNC(=O)NCC[C@H](O)c2ccccc2)c1,halo,aldehyde
212322,Modify the molecule O[C@@H](COc1ccccc1)CSc1ccc2ccccc2n1 by replacing a hydroxyl by aldehyde.,O[C@@H](COc1ccccc1)CSc1ccc2ccccc2n1,hydroxyl,aldehyde
94723,Please replace a halo in the molecule C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1occc1Br with thiol.,C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1occc1Br,halo,thiol
249337,Modify the molecule CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 by substituting a halo with thiol.,CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1,halo,thiol
48683,Please replace a halo in the molecule Cc1cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)[nH+]c(N)n1 with thiol.,Cc1cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)[nH+]c(N)n1,halo,thiol
5484,Substitute a nitro in the molecule CCOc1ccccc1[C@@H]1Nc2c(ccc([N+](=O)[O-])c2C)[C@H]2C=CC[C@H]21 with halo.,CCOc1ccccc1[C@@H]1Nc2c(ccc([N+](=O)[O-])c2C)[C@H]2C=CC[C@H]21,nitro,halo
64814,Modify the molecule CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 by substituting a halo with nitro.,CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1,halo,nitro
61933,Please replace a halo in the molecule C[C@@H]1c2ccc(F)cc2CCN1C(=O)C[C@H](O)c1cccc(F)c1 with aldehyde.,C[C@@H]1c2ccc(F)cc2CCN1C(=O)C[C@H](O)c1cccc(F)c1,halo,aldehyde
210866,Replace a halo in the molecule CNC(=O)CN(C)C(=O)c1occc1Br by hydroxyl.,CNC(=O)CN(C)C(=O)c1occc1Br,halo,hydroxyl
238943,Modify the molecule CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 by replacing a halo by nitro.,CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1,halo,nitro
10653,Please substitute a hydroxyl in the molecule Cc1ccc(N2C(=O)[C@@H]([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H](O)N[C@H]2O)c(C)c1 by aldehyde.,Cc1ccc(N2C(=O)[C@@H]([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H](O)N[C@H]2O)c(C)c1,hydroxyl,aldehyde
213457,Please replace a halo in the molecule Cc1nc2ccccc2n1CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O with hydroxyl.,Cc1nc2ccccc2n1CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O,halo,hydroxyl
232745,Please replace a halo in the molecule Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cccc(Cl)c1 with aldehyde.,Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cccc(Cl)c1,halo,aldehyde
97800,Replace a halo in the molecule Cc1cc(NC(=O)C[NH+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)on1 by aldehyde.,Cc1cc(NC(=O)C[NH+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)on1,halo,aldehyde
154995,Substitute a hydroxyl in the molecule O[C@H]1c2ccccc2C[C@H]1C[C@@H]1Cc2ccccc21 with aldehyde.,O[C@H]1c2ccccc2C[C@H]1C[C@@H]1Cc2ccccc21,hydroxyl,aldehyde
169316,Modify the molecule Clc1ccc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)o1 by replacing a halo by nitro.,Clc1ccc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)o1,halo,nitro
177417,Please replace a nitro in the molecule O=C(Cc1noc(-c2csc([N+](=O)[O-])c2)n1)NCc1ccccc1 with thiol.,O=C(Cc1noc(-c2csc([N+](=O)[O-])c2)n1)NCc1ccccc1,nitro,thiol
207056,Replace a halo in the molecule COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C by nitrile.,COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C,halo,nitrile
188737,Modify the molecule CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1 by substituting a halo with nitrile.,CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1,halo,nitrile
149071,Please replace a hydroxyl in the molecule Cc1ccc(-c2nnn(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)n2)cc1 with aldehyde.,Cc1ccc(-c2nnn(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)n2)cc1,hydroxyl,aldehyde
159733,Please replace a halo in the molecule Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1 with nitro.,Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1,halo,nitro
109993,Please replace a halo in the molecule N#Cc1ccc(O)cc1C(F)(F)F with nitro.,N#Cc1ccc(O)cc1C(F)(F)F,halo,nitro
146252,Please substitute a halo in the molecule COc1cccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1F by hydroxyl.,COc1cccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1F,halo,hydroxyl
41575,Substitute a hydroxyl in the molecule C/[NH+]=C(/NCc1cccc(CO)c1)N[C@H]1CCC[C@H](C)C1 with nitrile.,C/[NH+]=C(/NCc1cccc(CO)c1)N[C@H]1CCC[C@H](C)C1,hydroxyl,nitrile
184859,Modify the molecule COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 by replacing a halo by thiol.,COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1,halo,thiol
46248,Modify the molecule CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl by replacing a halo by nitro.,CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl,halo,nitro
13257,Please replace a halo in the molecule Cc1cc(=O)n(CC(=O)N2CCCC2)c(-c2cccc(Cl)c2)n1 with thiol.,Cc1cc(=O)n(CC(=O)N2CCCC2)c(-c2cccc(Cl)c2)n1,halo,thiol
176149,Modify the molecule COC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@H]3CCCC[C@@H]32)cc1 by substituting a hydroxyl with aldehyde.,COC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@H]3CCCC[C@@H]32)cc1,hydroxyl,aldehyde
169379,Modify the molecule COc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1 by substituting a hydroxyl with thiol.,COc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1,hydroxyl,thiol
211543,Modify the molecule O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 by substituting a halo with nitro.,O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1,halo,nitro
74413,Please substitute a halo in the molecule COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2F)c1 by nitrile.,COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2F)c1,halo,nitrile
71875,Please replace a halo in the molecule CCCn1c(=O)n(CC(=O)Nc2cccc(Cl)c2)c2ccccc21 with carboxyl.,CCCn1c(=O)n(CC(=O)Nc2cccc(Cl)c2)c2ccccc21,halo,carboxyl
66002,Substitute a halo in the molecule Cc1ccc(C)c(-n2cnn(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2=S)c1 with nitrile.,Cc1ccc(C)c(-n2cnn(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2=S)c1,halo,nitrile
75805,Replace a halo in the molecule Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)nn3)cs2)cc1 by carboxyl.,Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)nn3)cs2)cc1,halo,carboxyl
11720,Modify the molecule COCC[NH+](CC(N)=O)Cc1cccc(F)c1 by substituting a halo with hydroxyl.,COCC[NH+](CC(N)=O)Cc1cccc(F)c1,halo,hydroxyl
78625,Replace a halo in the molecule C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2)CC[NH+]1Cc1ccccc1 by aldehyde.,C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2)CC[NH+]1Cc1ccccc1,halo,aldehyde
34867,Modify the molecule C[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1 by substituting a halo with thiol.,C[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1,halo,thiol
223901,Replace a halo in the molecule [NH3+]C1CC(OC(=O)Nc2ccccc2C(F)(F)F)C1 by thiol.,[NH3+]C1CC(OC(=O)Nc2ccccc2C(F)(F)F)C1,halo,thiol
78643,Please replace a halo in the molecule CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 with hydroxyl.,CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21,halo,hydroxyl
21911,Please replace a halo in the molecule Cc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1F with carboxyl.,Cc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1F,halo,carboxyl
226913,Substitute a halo in the molecule Cc1n[nH]c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n1 with hydroxyl.,Cc1n[nH]c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n1,halo,hydroxyl
158303,Modify the molecule COc1ccc(Cl)cc1C[S@@](=O)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 by replacing a halo by aldehyde.,COc1ccc(Cl)cc1C[S@@](=O)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1,halo,aldehyde
78574,Please substitute a nitro in the molecule CC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 by nitrile.,CC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1,nitro,nitrile
245884,Please substitute a halo in the molecule O=C([O-])C1=N[C@H]2NC=NN2[C@@H]([C@H]2C=NN=C2c2ccc(F)cc2)C1 by carboxyl.,O=C([O-])C1=N[C@H]2NC=NN2[C@@H]([C@H]2C=NN=C2c2ccc(F)cc2)C1,halo,carboxyl
30338,Please substitute a nitro in the molecule COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1OC by aldehyde.,COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1OC,nitro,aldehyde
66122,Please replace a halo in the molecule COc1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1OC with hydroxyl.,COc1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1OC,halo,hydroxyl
173789,Modify the molecule CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)on1 by substituting a hydroxyl with nitrile.,CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)on1,hydroxyl,nitrile
217546,Please substitute a halo in the molecule Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1C by carboxyl.,Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1C,halo,carboxyl
37759,Please substitute a halo in the molecule CSC[C@H](C)NS(=O)(=O)Cc1ccccc1F by nitrile.,CSC[C@H](C)NS(=O)(=O)Cc1ccccc1F,halo,nitrile
76299,Modify the molecule COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 by substituting a halo with nitro.,COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1,halo,nitro
195651,Modify the molecule CSc1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1 by substituting a hydroxyl with nitro.,CSc1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1,hydroxyl,nitro
27104,Please substitute a nitro in the molecule O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 by halo.,O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,nitro,halo
50862,Please replace a halo in the molecule Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccc(F)c(F)c1 with carboxyl.,Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccc(F)c(F)c1,halo,carboxyl
87848,Modify the molecule Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 by substituting a halo with aldehyde.,Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1,halo,aldehyde
211890,Please replace a aldehyde in the molecule CC(=O)Nc1ccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1 with nitro.,CC(=O)Nc1ccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1,aldehyde,nitro
106403,Substitute a halo in the molecule COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 with nitro.,COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1,halo,nitro
197379,Modify the molecule CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S by replacing a hydroxyl by nitrile.,CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S,hydroxyl,nitrile
3397,Please substitute a nitrile in the molecule Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccc(C#N)c1 by carboxyl.,Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccc(C#N)c1,nitrile,carboxyl
100200,Please replace a halo in the molecule CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 with nitrile.,CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21,halo,nitrile
199239,Substitute a nitro in the molecule O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 with nitrile.,O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1,nitro,nitrile
73470,Modify the molecule Cc1c([C@@H](C)[NH2+][C@H]2CC=CCC2)cccc1[N+](=O)[O-] by substituting a nitro with thiol.,Cc1c([C@@H](C)[NH2+][C@H]2CC=CCC2)cccc1[N+](=O)[O-],nitro,thiol
31431,Replace a nitro in the molecule CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 by nitrile.,CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1,nitro,nitrile
155706,Modify the molecule C[NH+]1CCc2c(sc3nc(S)n(C4CCCCC4)c(=O)c23)C1 by substituting a thiol with hydroxyl.,C[NH+]1CCc2c(sc3nc(S)n(C4CCCCC4)c(=O)c23)C1,thiol,hydroxyl
113065,Modify the molecule CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)C(F)(F)F by replacing a halo by nitro.,CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)C(F)(F)F,halo,nitro
190733,Substitute a nitro in the molecule C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 with hydroxyl.,C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1,nitro,hydroxyl
204709,Replace a halo in the molecule Nc1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2n1 by nitrile.,Nc1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2n1,halo,nitrile
104837,Modify the molecule CCOc1cc(/C=N\n2cnnc2)cc(Br)c1OCC by substituting a halo with thiol.,CCOc1cc(/C=N\n2cnnc2)cc(Br)c1OCC,halo,thiol
192225,Please replace a halo in the molecule Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-] with aldehyde.,Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-],halo,aldehyde
242698,Modify the molecule C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)Oc1ccccc1F by substituting a halo with carboxyl.,C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)Oc1ccccc1F,halo,carboxyl
16352,Modify the molecule C[C@H](N(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2)C(C)(C)C by substituting a halo with thiol.,C[C@H](N(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2)C(C)(C)C,halo,thiol
248674,Substitute a halo in the molecule C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)CC[C@@H]1[NH3+] with hydroxyl.,C[C@@H]1CN(C(=O)c2c(F)cc(F)cc2F)CC[C@@H]1[NH3+],halo,hydroxyl
231745,Please replace a nitrile in the molecule C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 with halo.,C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1,nitrile,halo
225964,Substitute a halo in the molecule O=C(Nc1ccc(Cl)c(Br)c1)[C@H]1COCCO1 with thiol.,O=C(Nc1ccc(Cl)c(Br)c1)[C@H]1COCCO1,halo,thiol
17219,Substitute a halo in the molecule O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F with carboxyl.,O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F,halo,carboxyl
120630,Substitute a hydroxyl in the molecule NC(=S)[C@H]1CN(Cc2ccc(O)cc2)CCO1 with nitrile.,NC(=S)[C@H]1CN(Cc2ccc(O)cc2)CCO1,hydroxyl,nitrile
149689,Modify the molecule N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1 by replacing a halo by nitrile.,N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1,halo,nitrile
70351,Modify the molecule CNC(=O)[C@H]1CCCN1C(=O)CN1CCN(c2ccccc2F)C1=O by replacing a halo by nitro.,CNC(=O)[C@H]1CCCN1C(=O)CN1CCN(c2ccccc2F)C1=O,halo,nitro
220521,Substitute a halo in the molecule O=C(Cl)Cc1ccc2c(c1)OCO2 with aldehyde.,O=C(Cl)Cc1ccc2c(c1)OCO2,halo,aldehyde
201015,Please replace a hydroxyl in the molecule CC(C)(O)CCc1cccc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 with halo.,CC(C)(O)CCc1cccc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1,hydroxyl,halo
12238,Substitute a hydroxyl in the molecule Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2=O)cc1 with aldehyde.,Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2=O)cc1,hydroxyl,aldehyde
35676,Replace a aldehyde in the molecule O=Cc1ccccc1OC(=O)c1ccco1 by halo.,O=Cc1ccccc1OC(=O)c1ccco1,aldehyde,halo
138513,Modify the molecule O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1O by replacing a halo by thiol.,O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1O,halo,thiol
201537,Modify the molecule COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1 by substituting a nitro with thiol.,COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1,nitro,thiol
67337,Modify the molecule C[C@@H](CO)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 by replacing a hydroxyl by halo.,C[C@@H](CO)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1,hydroxyl,halo
80872,Modify the molecule Cc1cc(O)c(-c2cc(C(=O)Nc3cccnc3)n[nH]2)cc1C by replacing a hydroxyl by carboxyl.,Cc1cc(O)c(-c2cc(C(=O)Nc3cccnc3)n[nH]2)cc1C,hydroxyl,carboxyl
177180,Replace a halo in the molecule CCc1cc(OC)c(OC)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 by aldehyde.,CCc1cc(OC)c(OC)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,halo,aldehyde
26421,Modify the molecule CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 by substituting a halo with nitro.,CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1,halo,nitro
115919,Substitute a nitrile in the molecule N#C[C@@H]1CN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CCO1 with nitro.,N#C[C@@H]1CN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CCO1,nitrile,nitro
148018,Modify the molecule C[C@@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1nc(-c2ccccc2)cs1 by replacing a hydroxyl by carboxyl.,C[C@@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1nc(-c2ccccc2)cs1,hydroxyl,carboxyl
177298,Please substitute a halo in the molecule CSc1ccccc1[C@@H](O)[C@H](C[NH3+])c1c(F)cccc1Cl by aldehyde.,CSc1ccccc1[C@@H](O)[C@H](C[NH3+])c1c(F)cccc1Cl,halo,aldehyde
70223,Substitute a halo in the molecule O=C(NCc1cccs1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 with carboxyl.,O=C(NCc1cccs1)NC[C@@H]1CCN(c2ccc(F)cc2)C1,halo,carboxyl
197235,Please substitute a hydroxyl in the molecule C[C@H]1CCN(Cc2cc(=O)n3ccsc3[nH+]2)C[C@@H]1O by thiol.,C[C@H]1CCN(Cc2cc(=O)n3ccsc3[nH+]2)C[C@@H]1O,hydroxyl,thiol
176153,Please substitute a halo in the molecule O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 by hydroxyl.,O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1,halo,hydroxyl
7557,Modify the molecule O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1 by substituting a halo with carboxyl.,O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1,halo,carboxyl
216182,Please replace a nitro in the molecule COc1cc(C[NH+]2CCC[C@@H](Cn3ccnn3)C2)cc([N+](=O)[O-])c1O with hydroxyl.,COc1cc(C[NH+]2CCC[C@@H](Cn3ccnn3)C2)cc([N+](=O)[O-])c1O,nitro,hydroxyl
142918,Substitute a halo in the molecule O=C(Nc1nc(-c2nc3ccccc3s2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 with thiol.,O=C(Nc1nc(-c2nc3ccccc3s2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,halo,thiol
43946,Substitute a halo in the molecule COC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(C)C with nitro.,COC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(C)C,halo,nitro
83976,Please substitute a hydroxyl in the molecule C[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(-c2ccncc2)c1 by carboxyl.,C[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(-c2ccncc2)c1,hydroxyl,carboxyl
101983,Substitute a halo in the molecule CC(C)c1ccc(C[NH+](CC(=O)[O-])CC(F)(F)F)cc1 with nitrile.,CC(C)c1ccc(C[NH+](CC(=O)[O-])CC(F)(F)F)cc1,halo,nitrile
165228,Please substitute a hydroxyl in the molecule COc1cc(C[NH2+][C@](C)(CO)C2CC2)cc2c1OCO2 by halo.,COc1cc(C[NH2+][C@](C)(CO)C2CC2)cc2c1OCO2,hydroxyl,halo
249392,Please substitute a halo in the molecule C[C@@H](NC(=O)C1CCC1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 by nitrile.,C[C@@H](NC(=O)C1CCC1)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1,halo,nitrile
78921,Modify the molecule NC(=O)c1cc(OC2CCN(c3ncc(Cl)cc3F)CC2)ccn1 by substituting a halo with carboxyl.,NC(=O)c1cc(OC2CCN(c3ncc(Cl)cc3F)CC2)ccn1,halo,carboxyl
196245,Substitute a halo in the molecule O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F with thiol.,O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F,halo,thiol
240306,Modify the molecule CNC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)ccc1F by replacing a halo by nitro.,CNC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)ccc1F,halo,nitro
21718,Modify the molecule Cc1sc(/N=C/c2cc(Br)ccc2O)c(C(N)=O)c1C by replacing a hydroxyl by aldehyde.,Cc1sc(/N=C/c2cc(Br)ccc2O)c(C(N)=O)c1C,hydroxyl,aldehyde
183911,Please replace a hydroxyl in the molecule CCn1nc(C)c(Br)c1C[C@H](O)[C@H]1CSCCS1 with nitro.,CCn1nc(C)c(Br)c1C[C@H](O)[C@H]1CSCCS1,hydroxyl,nitro
31691,Modify the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 by substituting a halo with carboxyl.,C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1,halo,carboxyl
65629,Modify the molecule C[C@@H]1CCc2nc(Nc3ccc(Cl)cc3)ncc2C1 by substituting a halo with nitro.,C[C@@H]1CCc2nc(Nc3ccc(Cl)cc3)ncc2C1,halo,nitro
263,Please substitute a halo in the molecule Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1Br by thiol.,Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1Br,halo,thiol
184277,Please replace a halo in the molecule O=C(NCC[NH+]1CCCCCC1)c1c[nH]c2cccc(F)c12 with nitrile.,O=C(NCC[NH+]1CCCCCC1)c1c[nH]c2cccc(F)c12,halo,nitrile
69495,Modify the molecule COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1-n1cccn1 by replacing a halo by thiol.,COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1-n1cccn1,halo,thiol
15393,Replace a halo in the molecule COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1Br by aldehyde.,COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1Br,halo,aldehyde
188612,Replace a hydroxyl in the molecule CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(CO)c2)CC1 by thiol.,CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(CO)c2)CC1,hydroxyl,thiol
224452,Substitute a halo in the molecule CCCn1/c(=N/C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)[nH]c2ccccc21 with hydroxyl.,CCCn1/c(=N/C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)[nH]c2ccccc21,halo,hydroxyl
15761,Substitute a nitro in the molecule O=C1O[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)Cc2ccccc21 with thiol.,O=C1O[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)Cc2ccccc21,nitro,thiol
220729,Substitute a nitrile in the molecule CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(C)CCCC2)c1 with thiol.,CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(C)CCCC2)c1,nitrile,thiol
191474,Modify the molecule CCOC(=O)C(=O)c1cc(Br)ccc1OC by substituting a halo with carboxyl.,CCOC(=O)C(=O)c1cc(Br)ccc1OC,halo,carboxyl
124962,Substitute a halo in the molecule C[C@H](NS(=O)(=O)CC1CCC1)c1ccc(F)cc1Cl with carboxyl.,C[C@H](NS(=O)(=O)CC1CCC1)c1ccc(F)cc1Cl,halo,carboxyl
21521,Please substitute a halo in the molecule CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1 by thiol.,CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1,halo,thiol
246601,Please replace a halo in the molecule CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc2C1 with nitro.,CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc2C1,halo,nitro
168372,Replace a halo in the molecule O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC2(CC1)OCCO2 by nitro.,O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC2(CC1)OCCO2,halo,nitro
9230,Modify the molecule CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)c(F)c1 by replacing a halo by hydroxyl.,CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)c(F)c1,halo,hydroxyl
36292,Modify the molecule COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C1CCN(C)CC1)CC2 by replacing a halo by aldehyde.,COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C1CCN(C)CC1)CC2,halo,aldehyde
149719,Replace a halo in the molecule O=C(Nc1nc(-c2ccccc2F)n[n-]1)c1[nH]nc(C2CC2)c1Cl by thiol.,O=C(Nc1nc(-c2ccccc2F)n[n-]1)c1[nH]nc(C2CC2)c1Cl,halo,thiol
170208,Replace a halo in the molecule Cn1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1 by hydroxyl.,Cn1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1,halo,hydroxyl
143742,Please replace a nitro in the molecule C=C(Br)COc1cc(F)ccc1[N+](=O)[O-] with halo.,C=C(Br)COc1cc(F)ccc1[N+](=O)[O-],nitro,halo
140859,Substitute a halo in the molecule O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1 with carboxyl.,O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1,halo,carboxyl
175010,Modify the molecule C[NH+](Cc1cccc(F)c1)Cc1ccco1 by replacing a halo by hydroxyl.,C[NH+](Cc1cccc(F)c1)Cc1ccco1,halo,hydroxyl
205775,Please substitute a halo in the molecule CCOC(=O)CC[C@H](C)Cl by nitrile.,CCOC(=O)CC[C@H](C)Cl,halo,nitrile
200830,Modify the molecule Cc1ccc(F)cc1NC[C@H]1Cc2ccccc2S1 by substituting a halo with nitro.,Cc1ccc(F)cc1NC[C@H]1Cc2ccccc2S1,halo,nitro
228461,Substitute a halo in the molecule Cc1ccc(NCC(=O)N2CCC(C)CC2)cc1Cl with nitro.,Cc1ccc(NCC(=O)N2CCC(C)CC2)cc1Cl,halo,nitro
54500,Substitute a halo in the molecule Cn1c(C[NH+]2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 with hydroxyl.,Cn1c(C[NH+]2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,halo,hydroxyl
133805,Please replace a halo in the molecule COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C with thiol.,COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C,halo,thiol
98991,Please replace a halo in the molecule NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(Cl)c2)no1 with hydroxyl.,NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(Cl)c2)no1,halo,hydroxyl
154454,Replace a halo in the molecule CC(C)C[C@@H](C)[NH+](C)Cc1cc(F)cc(C#CC[NH3+])c1 by thiol.,CC(C)C[C@@H](C)[NH+](C)Cc1cc(F)cc(C#CC[NH3+])c1,halo,thiol
201850,Please substitute a halo in the molecule C[C@H](NC(=O)[C@@H](C)N1CC[S@@](=O)C(C)(C)C1)c1ccc(Cl)cc1 by nitrile.,C[C@H](NC(=O)[C@@H](C)N1CC[S@@](=O)C(C)(C)C1)c1ccc(Cl)cc1,halo,nitrile
121805,Modify the molecule Cc1nc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cs1 by replacing a halo by aldehyde.,Cc1nc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cs1,halo,aldehyde
3670,Substitute a halo in the molecule CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 with nitrile.,CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1,halo,nitrile
124398,Please replace a halo in the molecule Cc1c(C[C@H](C)Cl)c(=O)oc2cc(O)ccc12 with carboxyl.,Cc1c(C[C@H](C)Cl)c(=O)oc2cc(O)ccc12,halo,carboxyl
155833,Modify the molecule C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 by replacing a halo by thiol.,C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1,halo,thiol
178046,Substitute a halo in the molecule CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 with aldehyde.,CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1,halo,aldehyde
161291,Modify the molecule COc1ccc([C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)cc1 by replacing a halo by carboxyl.,COc1ccc([C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)cc1,halo,carboxyl
74723,Replace a halo in the molecule C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 by nitro.,C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1,halo,nitro
73310,Please replace a hydroxyl in the molecule Nc1cc(C(F)(F)F)ccc1NC(=O)CSC[C@@H](O)CO with halo.,Nc1cc(C(F)(F)F)ccc1NC(=O)CSC[C@@H](O)CO,hydroxyl,halo
192497,Please substitute a halo in the molecule COc1cccc(OC)c1C(=O)Nc1ccc(C#N)c(Cl)c1 by hydroxyl.,COc1cccc(OC)c1C(=O)Nc1ccc(C#N)c(Cl)c1,halo,hydroxyl
17471,Please replace a halo in the molecule CO[C@@H](CNC(=O)CCC1CCN(C(C)=O)CC1)c1ccc(F)cc1 with hydroxyl.,CO[C@@H](CNC(=O)CCC1CCN(C(C)=O)CC1)c1ccc(F)cc1,halo,hydroxyl
222600,Substitute a hydroxyl in the molecule O=C(C[NH+]1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1)N1CCCCC1 with nitro.,O=C(C[NH+]1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1)N1CCCCC1,hydroxyl,nitro
164369,Please replace a halo in the molecule CCc1ccsc1C(=O)Nc1nc(CCl)cs1 with hydroxyl.,CCc1ccsc1C(=O)Nc1nc(CCl)cs1,halo,hydroxyl
151689,Replace a hydroxyl in the molecule CCOCc1ccc2c(c1)C(O)=C([O-])C(=C1C=CC(=[N+]3CC[NH+](C)CC3)C=C1)O2 by nitrile.,CCOCc1ccc2c(c1)C(O)=C([O-])C(=C1C=CC(=[N+]3CC[NH+](C)CC3)C=C1)O2,hydroxyl,nitrile
232219,Replace a hydroxyl in the molecule COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1OC by aldehyde.,COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1OC,hydroxyl,aldehyde
48951,Please substitute a halo in the molecule CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 by nitrile.,CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1,halo,nitrile
222701,Modify the molecule NC(=O)c1cccc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)c1 by substituting a halo with thiol.,NC(=O)c1cccc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)c1,halo,thiol
53965,Substitute a hydroxyl in the molecule O=C(NCC[C@@H](O)C1CC1)c1cc(=O)c2ccccc2o1 with halo.,O=C(NCC[C@@H](O)C1CC1)c1cc(=O)c2ccccc2o1,hydroxyl,halo
117505,Modify the molecule N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 by replacing a nitrile by hydroxyl.,N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12,nitrile,hydroxyl
91922,Replace a halo in the molecule Cc1[nH]ncc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 by aldehyde.,Cc1[nH]ncc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1,halo,aldehyde
103379,Please replace a halo in the molecule Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O with thiol.,Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O,halo,thiol
142625,Please replace a hydroxyl in the molecule COc1ccccc1NC1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1 with carboxyl.,COc1ccccc1NC1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1,hydroxyl,carboxyl
234015,Modify the molecule C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 by replacing a nitrile by halo.,C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1,nitrile,halo
50324,Substitute a halo in the molecule Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 with thiol.,Cc1ccc2oc(-c3cccc(Br)c3)nc2c1,halo,thiol
123719,Modify the molecule COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] by replacing a nitro by halo.,COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[N+](=O)[O-],nitro,halo
237362,Please substitute a nitro in the molecule Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[NH+]3CCC[C@H]23)c1 by aldehyde.,Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[NH+]3CCC[C@H]23)c1,nitro,aldehyde
49324,Modify the molecule CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 by replacing a halo by carboxyl.,CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1,halo,carboxyl
52889,Replace a halo in the molecule COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1 by aldehyde.,COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1,halo,aldehyde
238257,Please substitute a halo in the molecule C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(F)cc1F by hydroxyl.,C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(F)cc1F,halo,hydroxyl
103689,Replace a nitrile in the molecule Cc1occc1C(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1 by aldehyde.,Cc1occc1C(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1,nitrile,aldehyde
180646,Modify the molecule Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1 by replacing a halo by thiol.,Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1,halo,thiol
152077,Please replace a halo in the molecule COc1ccc(C(=O)[O-])cc1C(F)(F)F with thiol.,COc1ccc(C(=O)[O-])cc1C(F)(F)F,halo,thiol
30352,Please substitute a halo in the molecule COc1ccc(/C=C/C(=O)N2CCC(n3c(=O)oc4c(C)cc(C)cc43)CC2)c(Cl)c1OC by hydroxyl.,COc1ccc(/C=C/C(=O)N2CCC(n3c(=O)oc4c(C)cc(C)cc43)CC2)c(Cl)c1OC,halo,hydroxyl
30455,Replace a halo in the molecule O=C(Nc1cccc(CNc2ccc(Cl)cn2)c1)[C@@H]1CCCO1 by hydroxyl.,O=C(Nc1cccc(CNc2ccc(Cl)cn2)c1)[C@@H]1CCCO1,halo,hydroxyl
5176,Replace a halo in the molecule Cc1ccccc1NC(=O)C[NH+](CC(F)(F)F)C(C)C by nitro.,Cc1ccccc1NC(=O)C[NH+](CC(F)(F)F)C(C)C,halo,nitro
116811,Replace a nitro in the molecule Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] by hydroxyl.,Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-],nitro,hydroxyl
66159,Please replace a nitro in the molecule C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])c1ccccc1 with carboxyl.,C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])c1ccccc1,nitro,carboxyl
215743,Modify the molecule C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(CC#N)cc1 by substituting a nitrile with aldehyde.,C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(CC#N)cc1,nitrile,aldehyde
70117,Modify the molecule Cc1[nH]nc(Cl)c1Br by replacing a halo by nitrile.,Cc1[nH]nc(Cl)c1Br,halo,nitrile
187840,Modify the molecule Cc1cc(C(=O)[C@H](C#N)c2ccccn2)c(C)s1 by substituting a nitrile with aldehyde.,Cc1cc(C(=O)[C@H](C#N)c2ccccn2)c(C)s1,nitrile,aldehyde
71073,Please replace a nitrile in the molecule CCn1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc2ccccc21 with carboxyl.,CCn1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc2ccccc21,nitrile,carboxyl
186005,Replace a hydroxyl in the molecule COc1ccccc1N[C@H](CO)c1ccc(Br)c(C)c1 by aldehyde.,COc1ccccc1N[C@H](CO)c1ccc(Br)c(C)c1,hydroxyl,aldehyde
150606,Replace a nitro in the molecule COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 by aldehyde.,COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1,nitro,aldehyde
140464,Please substitute a nitrile in the molecule N#CC1(NC(=O)[C@@H]2Cc3ccccc3O2)CCCCC1 by carboxyl.,N#CC1(NC(=O)[C@@H]2Cc3ccccc3O2)CCCCC1,nitrile,carboxyl
145234,Replace a halo in the molecule COc1ccc([C@@H](C)N(C)C(=O)CCCc2cc(F)ccc2F)cc1 by nitro.,COc1ccc([C@@H](C)N(C)C(=O)CCCc2cc(F)ccc2F)cc1,halo,nitro
161845,Replace a halo in the molecule C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl by nitro.,C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,halo,nitro
55586,Replace a aldehyde in the molecule CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1cccc(C=O)c1 by nitrile.,CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1cccc(C=O)c1,aldehyde,nitrile
220297,Modify the molecule CC[C@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1 by replacing a halo by nitro.,CC[C@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1,halo,nitro
139802,Please replace a halo in the molecule C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C with thiol.,C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C,halo,thiol
154687,Substitute a halo in the molecule COC1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1 with nitrile.,COC1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1,halo,nitrile
48212,Modify the molecule Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 by replacing a halo by hydroxyl.,Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2,halo,hydroxyl
237057,Modify the molecule COc1cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)cc(OC)c1OC by replacing a halo by hydroxyl.,COc1cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)cc(OC)c1OC,halo,hydroxyl
29837,Please replace a halo in the molecule N/C(=N/OCc1cc(Br)ccc1F)c1cc[nH+]c(N2CCCCC2)c1 with hydroxyl.,N/C(=N/OCc1cc(Br)ccc1F)c1cc[nH+]c(N2CCCCC2)c1,halo,hydroxyl
228440,Substitute a halo in the molecule C[NH+](C)Cc1cc(CNC(=O)C[C@@H](O)c2ccccc2)ccc1F with aldehyde.,C[NH+](C)Cc1cc(CNC(=O)C[C@@H](O)c2ccccc2)ccc1F,halo,aldehyde
120640,Please substitute a halo in the molecule C=CCCO[C@H](C)C(=O)N1CCN(C)c2ccc(F)cc21 by nitro.,C=CCCO[C@H](C)C(=O)N1CCN(C)c2ccc(F)cc21,halo,nitro
214584,Please replace a halo in the molecule Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(N)=O)c12 with hydroxyl.,Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(N)=O)c12,halo,hydroxyl
205102,Modify the molecule COC(=O)c1ccsc1N1CC[C@H](Nc2ccc(F)c(F)c2)C1=O by substituting a halo with thiol.,COC(=O)c1ccsc1N1CC[C@H](Nc2ccc(F)c(F)c2)C1=O,halo,thiol
101287,Please replace a halo in the molecule Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(Cl)n1 with nitro.,Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(Cl)n1,halo,nitro
58678,Modify the molecule CN1CCO[C@@H]([C@H](O)Cc2ccncc2)C1 by replacing a hydroxyl by thiol.,CN1CCO[C@@H]([C@H](O)Cc2ccncc2)C1,hydroxyl,thiol
142083,Please substitute a halo in the molecule O=C(Cc1csc(SCc2ccccc2F)n1)NC1CC1 by carboxyl.,O=C(Cc1csc(SCc2ccccc2F)n1)NC1CC1,halo,carboxyl
156821,Modify the molecule O=S(=O)(C[C@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl by replacing a halo by carboxyl.,O=S(=O)(C[C@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl,halo,carboxyl
242657,Modify the molecule Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 by substituting a halo with thiol.,Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1,halo,thiol
242419,Substitute a halo in the molecule COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C with nitrile.,COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C,halo,nitrile
108634,Please substitute a hydroxyl in the molecule CC(C)CCCNC(=O)CC[C@@H](C)O by nitrile.,CC(C)CCCNC(=O)CC[C@@H](C)O,hydroxyl,nitrile
131338,Please substitute a halo in the molecule Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 by nitro.,Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1,halo,nitro
24783,Substitute a halo in the molecule Fc1c(C(F)(F)F)ccn2ccnc12 with nitro.,Fc1c(C(F)(F)F)ccn2ccnc12,halo,nitro
83574,Please substitute a nitro in the molecule CCCn1cc(-c2nc(NC)ccc2[N+](=O)[O-])cn1 by carboxyl.,CCCn1cc(-c2nc(NC)ccc2[N+](=O)[O-])cn1,nitro,carboxyl
155782,Substitute a halo in the molecule CCCC[C@H](CC)C[C@@H](O)c1cncc(Br)c1 with thiol.,CCCC[C@H](CC)C[C@@H](O)c1cncc(Br)c1,halo,thiol
30540,Replace a halo in the molecule Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc3c(c2)CCO3)cc1 by nitro.,Fc1ccc([C@@H](CC(F)(F)F)NCc2ccc3c(c2)CCO3)cc1,halo,nitro
9584,Modify the molecule N#CCOc1ccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)cc1 by replacing a nitrile by carboxyl.,N#CCOc1ccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)cc1,nitrile,carboxyl
75707,Please replace a hydroxyl in the molecule Cc1cc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)[C@@H](C)[C@@H](C)O)no1 with aldehyde.,Cc1cc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)[C@@H](C)[C@@H](C)O)no1,hydroxyl,aldehyde
60183,Substitute a nitro in the molecule C[C@@H]1CCC[NH+](CCNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 with halo.,C[C@@H]1CCC[NH+](CCNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1,nitro,halo
95713,Substitute a nitrile in the molecule C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 with halo.,C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1,nitrile,halo
17727,Please substitute a halo in the molecule O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F by carboxyl.,O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F,halo,carboxyl
136982,Substitute a halo in the molecule CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C with carboxyl.,CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C,halo,carboxyl
160670,Please substitute a halo in the molecule O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)NC1CCCC1 by aldehyde.,O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)NC1CCCC1,halo,aldehyde
204838,Please substitute a halo in the molecule CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1nccnc1Cl by carboxyl.,CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1nccnc1Cl,halo,carboxyl
139527,Modify the molecule CCOC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 by substituting a hydroxyl with nitrile.,CCOC[C@H](O)[C@](C)(CC)[NH+]1CCCC1,hydroxyl,nitrile
239584,Please replace a halo in the molecule CN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1O with hydroxyl.,CN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1O,halo,hydroxyl
7791,Modify the molecule COC(=O)[C@](O)(c1cc(C)c(O)c(Cl)c1)C(F)(F)F by replacing a halo by aldehyde.,COC(=O)[C@](O)(c1cc(C)c(O)c(Cl)c1)C(F)(F)F,halo,aldehyde
217595,Please substitute a halo in the molecule COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)(F)F)CC1 by hydroxyl.,COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)(F)F)CC1,halo,hydroxyl
247347,Please replace a hydroxyl in the molecule O=S(=O)([O-])c1ccc(/N=C/c2ccc(O)cc2O)cc1 with carboxyl.,O=S(=O)([O-])c1ccc(/N=C/c2ccc(O)cc2O)cc1,hydroxyl,carboxyl
181145,Substitute a nitro in the molecule O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCCCC1 with carboxyl.,O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCCCC1,nitro,carboxyl
144726,Replace a halo in the molecule O=C(NCC[C@H]1CC[NH2+]C1)c1c(F)cc(Br)cc1F by hydroxyl.,O=C(NCC[C@H]1CC[NH2+]C1)c1c(F)cc(Br)cc1F,halo,hydroxyl
98232,Substitute a nitrile in the molecule CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1 with nitro.,CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1,nitrile,nitro
79790,Modify the molecule O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccccc2F)CC1 by substituting a halo with thiol.,O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccccc2F)CC1,halo,thiol
182907,Substitute a halo in the molecule CCOC(=O)N/N=C/c1sc2ccc(Cl)cc2c1C with carboxyl.,CCOC(=O)N/N=C/c1sc2ccc(Cl)cc2c1C,halo,carboxyl
43736,Modify the molecule Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 by substituting a halo with carboxyl.,Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@@H]([NH+]2CCCC2)C1,halo,carboxyl
152465,Please replace a halo in the molecule CCCn1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1=O with nitro.,CCCn1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1=O,halo,nitro
150515,Replace a halo in the molecule Cc1cc(NCc2ccccc2F)c2ccccc2[nH+]1 by nitro.,Cc1cc(NCc2ccccc2F)c2ccccc2[nH+]1,halo,nitro
13022,Please replace a hydroxyl in the molecule COc1ccc(-c2nnc(SC[C@@H](O)c3ccc(C)cc3C)n2C)cc1 with aldehyde.,COc1ccc(-c2nnc(SC[C@@H](O)c3ccc(C)cc3C)n2C)cc1,hydroxyl,aldehyde
52809,Modify the molecule C[C@@H]1CCC[C@]12CC(=O)NC(=O)[C@@H]2c1ccc(F)cc1 by replacing a halo by nitrile.,C[C@@H]1CCC[C@]12CC(=O)NC(=O)[C@@H]2c1ccc(F)cc1,halo,nitrile
59172,Please replace a nitro in the molecule Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(=O)[O-] with thiol.,Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(=O)[O-],nitro,thiol
206902,Modify the molecule COc1cc(NC(=O)CCNC(=O)N2CC(O)=Nc3ccccc32)cc(OC)c1OC by substituting a hydroxyl with aldehyde.,COc1cc(NC(=O)CCNC(=O)N2CC(O)=Nc3ccccc32)cc(OC)c1OC,hydroxyl,aldehyde
8413,Substitute a nitrile in the molecule N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccc3ccccc3c2)[C@@H]2CCCC=C21 with nitro.,N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccc3ccccc3c2)[C@@H]2CCCC=C21,nitrile,nitro
151169,Substitute a halo in the molecule CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 with thiol.,CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1,halo,thiol
145229,Modify the molecule COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 by substituting a halo with nitro.,COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1,halo,nitro
197702,Please replace a nitrile in the molecule C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H](C)C1 with carboxyl.,C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H](C)C1,nitrile,carboxyl
90,Please replace a halo in the molecule CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2Cl)CCO1 with hydroxyl.,CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2Cl)CCO1,halo,hydroxyl
144431,Modify the molecule CC[C@](C)(NC(=O)CCCOC)/C(N)=N/O by replacing a hydroxyl by carboxyl.,CC[C@](C)(NC(=O)CCCOC)/C(N)=N/O,hydroxyl,carboxyl
9145,Modify the molecule COc1cccc(/C(C)=N\NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 by substituting a halo with aldehyde.,COc1cccc(/C(C)=N\NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1,halo,aldehyde
9169,Modify the molecule Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)s1 by substituting a halo with carboxyl.,Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)s1,halo,carboxyl
194145,Please substitute a halo in the molecule O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 by nitrile.,O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1,halo,nitrile
138318,Please substitute a halo in the molecule CCOC[C@@H]1CCN(C(=O)Nc2ccc(F)c(C)c2)C1 by nitrile.,CCOC[C@@H]1CCN(C(=O)Nc2ccc(F)c(C)c2)C1,halo,nitrile
56379,Please substitute a halo in the molecule CCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br by nitro.,CCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br,halo,nitro
97196,Substitute a halo in the molecule CCc1c(C)nc(Nc2ccc(Cl)cc2Cl)nc1OCC(=O)[O-] with thiol.,CCc1c(C)nc(Nc2ccc(Cl)cc2Cl)nc1OCC(=O)[O-],halo,thiol
66580,Replace a halo in the molecule C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCOCC1 by carboxyl.,C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCOCC1,halo,carboxyl
85076,Please substitute a halo in the molecule FC(F)Oc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 by nitrile.,FC(F)Oc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21,halo,nitrile
45288,Substitute a halo in the molecule CCc1nnc(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)s1 with thiol.,CCc1nnc(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)s1,halo,thiol
240786,Modify the molecule CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 by replacing a nitrile by aldehyde.,CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1,nitrile,aldehyde
87010,Please substitute a halo in the molecule CN(Cc1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 by hydroxyl.,CN(Cc1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1,halo,hydroxyl
13640,Replace a halo in the molecule CC1=NC2=C(C(=O)C[C@H](C)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1ccc(C)cn1 by thiol.,CC1=NC2=C(C(=O)C[C@H](C)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1ccc(C)cn1,halo,thiol
99459,Substitute a halo in the molecule C[C@H](CO)CSc1nc(Cl)ncc1F with nitrile.,C[C@H](CO)CSc1nc(Cl)ncc1F,halo,nitrile
6580,Please replace a halo in the molecule O=C(CSc1ncc2ccccn12)Nc1ccc(F)cc1 with thiol.,O=C(CSc1ncc2ccccn12)Nc1ccc(F)cc1,halo,thiol
83981,Modify the molecule O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 by replacing a halo by carboxyl.,O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1,halo,carboxyl
124963,Please substitute a halo in the molecule O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(C(F)(F)F)cc1 by aldehyde.,O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(C(F)(F)F)cc1,halo,aldehyde
8944,Please substitute a nitrile in the molecule CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C by thiol.,CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C,nitrile,thiol
93748,Please substitute a halo in the molecule Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)[O-] by nitrile.,Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)[O-],halo,nitrile
13812,Please substitute a halo in the molecule C[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 by nitro.,C[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1,halo,nitro
152514,Substitute a halo in the molecule O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O with aldehyde.,O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O,halo,aldehyde
77003,Substitute a halo in the molecule CCCC[C@H]([NH2+]Cc1cscc1C)c1ccc(F)cc1 with nitro.,CCCC[C@H]([NH2+]Cc1cscc1C)c1ccc(F)cc1,halo,nitro
66111,Substitute a halo in the molecule O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NC1CCCC1 with thiol.,O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NC1CCCC1,halo,thiol
241961,Modify the molecule Cc1cccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1 by substituting a halo with carboxyl.,Cc1cccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1,halo,carboxyl
60287,Substitute a halo in the molecule C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)C(C)(C)OC with thiol.,C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)C(C)(C)OC,halo,thiol
57681,Please substitute a halo in the molecule Nc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] by carboxyl.,Nc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-],halo,carboxyl
194934,Please substitute a nitrile in the molecule N#Cc1c2n(c(=O)n(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c1=O)CCC2 by aldehyde.,N#Cc1c2n(c(=O)n(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c1=O)CCC2,nitrile,aldehyde
64097,Please substitute a halo in the molecule O=C(NCCc1c(F)cccc1F)N1CCN(C(=O)c2ccco2)CC1 by hydroxyl.,O=C(NCCc1c(F)cccc1F)N1CCN(C(=O)c2ccco2)CC1,halo,hydroxyl
193326,Modify the molecule Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(CO)o1 by replacing a hydroxyl by aldehyde.,Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(CO)o1,hydroxyl,aldehyde
52521,Modify the molecule C[C@@H](OC(=O)c1cccc(F)c1)[C@@H]1CCOC1 by replacing a halo by thiol.,C[C@@H](OC(=O)c1cccc(F)c1)[C@@H]1CCOC1,halo,thiol
12877,Substitute a halo in the molecule CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc(C)cc1Br with nitro.,CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc(C)cc1Br,halo,nitro
221536,Replace a halo in the molecule NC(=O)c1c(F)cc(Br)cc1N1C[C@@H]2CC=CC[C@H]2C1 by hydroxyl.,NC(=O)c1c(F)cc(Br)cc1N1C[C@@H]2CC=CC[C@H]2C1,halo,hydroxyl
84781,Please replace a halo in the molecule CCn1cc(S(=O)(=O)N[C@H](CCl)C(C)C)nc1C with aldehyde.,CCn1cc(S(=O)(=O)N[C@H](CCl)C(C)C)nc1C,halo,aldehyde
33057,Please substitute a halo in the molecule Cc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1NC(=O)c1ccccc1F by hydroxyl.,Cc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1NC(=O)c1ccccc1F,halo,hydroxyl
28458,Substitute a halo in the molecule Cc1csc(CCNc2nc(Br)cs2)n1 with aldehyde.,Cc1csc(CCNc2nc(Br)cs2)n1,halo,aldehyde
75966,Please replace a halo in the molecule Cc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)nc2)cc1F with nitro.,Cc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)nc2)cc1F,halo,nitro
63787,Modify the molecule COc1ccccc1CNc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 by substituting a halo with nitro.,COc1ccccc1CNc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1,halo,nitro
181016,Replace a halo in the molecule COc1cc(Nc2cc(Cl)nc(N)n2)ccc1N1CCCC1=O by aldehyde.,COc1cc(Nc2cc(Cl)nc(N)n2)ccc1N1CCCC1=O,halo,aldehyde
67535,Replace a halo in the molecule O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 by hydroxyl.,O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,halo,hydroxyl
172367,Substitute a halo in the molecule CC(C)C[C@@H]1C[NH2+]CC[C@@]12CCC[C@H](C(F)(F)F)C2 with hydroxyl.,CC(C)C[C@@H]1C[NH2+]CC[C@@]12CCC[C@H](C(F)(F)F)C2,halo,hydroxyl
84127,Please replace a halo in the molecule Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(Br)cc3)cc21 with nitro.,Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(Br)cc3)cc21,halo,nitro
7275,Please replace a nitrile in the molecule COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)cc1 with hydroxyl.,COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)cc1,nitrile,hydroxyl
30901,Modify the molecule C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O by substituting a halo with nitro.,C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O,halo,nitro
105992,Substitute a halo in the molecule CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 with aldehyde.,CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1,halo,aldehyde
46746,Please substitute a nitrile in the molecule CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1 by halo.,CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1,nitrile,halo
12668,Replace a halo in the molecule O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1 by nitrile.,O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1,halo,nitrile
80801,Substitute a halo in the molecule Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(F)c1 with carboxyl.,Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(F)c1,halo,carboxyl
155818,Please substitute a halo in the molecule CC(=O)NC(=S)Nc1cc(Cl)ccc1C by nitro.,CC(=O)NC(=S)Nc1cc(Cl)ccc1C,halo,nitro
166857,Substitute a halo in the molecule C[C@@](N)(C(=O)N1Cc2ccccc2C1)C(F)(F)F with nitrile.,C[C@@](N)(C(=O)N1Cc2ccccc2C1)C(F)(F)F,halo,nitrile
169824,Substitute a nitro in the molecule CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC[C@H]1CCCO1 with halo.,CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC[C@H]1CCCO1,nitro,halo
193316,Modify the molecule COc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C#N)cn2)no1 by replacing a nitrile by hydroxyl.,COc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C#N)cn2)no1,nitrile,hydroxyl
86066,Modify the molecule CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[C@@H]1CCCO1 by replacing a halo by thiol.,CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[C@@H]1CCCO1,halo,thiol
79710,Please replace a halo in the molecule Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 with carboxyl.,Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1,halo,carboxyl
219596,Modify the molecule CC1(C)CCC[NH+]1[C@H]1CCC[C@@](C#N)(NC2CC2)C1 by replacing a nitrile by halo.,CC1(C)CCC[NH+]1[C@H]1CCC[C@@](C#N)(NC2CC2)C1,nitrile,halo
10956,Substitute a halo in the molecule C[C@@H](Cl)C(=O)NCC#CCOc1cccc2ccccc12 with nitrile.,C[C@@H](Cl)C(=O)NCC#CCOc1cccc2ccccc12,halo,nitrile
172783,Replace a nitrile in the molecule CC[C@@](C)(C#N)[C@H](O)c1ccccn1 by aldehyde.,CC[C@@](C)(C#N)[C@H](O)c1ccccn1,nitrile,aldehyde
106011,Substitute a hydroxyl in the molecule Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 with halo.,Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2,hydroxyl,halo
15000,Modify the molecule CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1 by replacing a nitrile by nitro.,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1,nitrile,nitro
144667,Replace a nitrile in the molecule N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 by aldehyde.,N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1,nitrile,aldehyde
224520,Please replace a hydroxyl in the molecule C[C@H](O)[C@H]1CCC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 with thiol.,C[C@H](O)[C@H]1CCC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1,hydroxyl,thiol
196323,Modify the molecule CC(C)C[C@H](CCO)CNS(N)(=O)=O by replacing a hydroxyl by carboxyl.,CC(C)C[C@H](CCO)CNS(N)(=O)=O,hydroxyl,carboxyl
60295,Please replace a halo in the molecule CC[C@](C)([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] with nitrile.,CC[C@](C)([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-],halo,nitrile
237037,Please replace a halo in the molecule NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 with nitro.,NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c1,halo,nitro
52801,Modify the molecule O=C(N/N=C/c1cccc(O)c1)c1ccc2c(c1)OCCO2 by replacing a hydroxyl by carboxyl.,O=C(N/N=C/c1cccc(O)c1)c1ccc2c(c1)OCCO2,hydroxyl,carboxyl
176851,Replace a hydroxyl in the molecule C[C@@H](O)[C@@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1 by aldehyde.,C[C@@H](O)[C@@H]1CCC[NH+](Cc2cccc(OC(F)F)c2)C1,hydroxyl,aldehyde
124476,Substitute a halo in the molecule Cn1cccc(C(=O)N2CCC(CNS(=O)(=O)c3ccccc3F)CC2)c1=O with carboxyl.,Cn1cccc(C(=O)N2CCC(CNS(=O)(=O)c3ccccc3F)CC2)c1=O,halo,carboxyl
78930,Modify the molecule O=C(Cc1ccc(F)cc1)N1CCOc2ccccc21 by substituting a halo with aldehyde.,O=C(Cc1ccc(F)cc1)N1CCOc2ccccc21,halo,aldehyde
202542,Replace a halo in the molecule NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)CC1 by hydroxyl.,NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)CC1,halo,hydroxyl
213064,Modify the molecule C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1 by substituting a halo with hydroxyl.,C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1,halo,hydroxyl
80101,Modify the molecule CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 by substituting a hydroxyl with aldehyde.,CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1,hydroxyl,aldehyde
183950,Replace a halo in the molecule CC(C)c1cc([C@H]2CCC[NH+]2Cc2cc(F)ccc2F)no1 by nitro.,CC(C)c1cc([C@H]2CCC[NH+]2Cc2cc(F)ccc2F)no1,halo,nitro
243149,Please substitute a halo in the molecule C[C@H]1CN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C[C@@H](C)S1 by carboxyl.,C[C@H]1CN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C[C@@H](C)S1,halo,carboxyl
36458,Substitute a halo in the molecule Cc1cc(F)ccc1[C@@H](O)Cc1nccs1 with aldehyde.,Cc1cc(F)ccc1[C@@H](O)Cc1nccs1,halo,aldehyde
97087,Please substitute a hydroxyl in the molecule CCOCCCNC(=O)N[C@H]1CCC[C@H]1CO by thiol.,CCOCCCNC(=O)N[C@H]1CCC[C@H]1CO,hydroxyl,thiol
184111,Please substitute a halo in the molecule Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 by nitro.,Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1,halo,nitro
200860,Modify the molecule Cc1ccc(Br)cc1[C@H]([NH3+])c1ccc(Br)o1 by substituting a halo with nitrile.,Cc1ccc(Br)cc1[C@H]([NH3+])c1ccc(Br)o1,halo,nitrile
120629,Please substitute a nitrile in the molecule Cc1cccc(C2=CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 by halo.,Cc1cccc(C2=CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1,nitrile,halo
181807,Substitute a nitrile in the molecule CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc(C#N)c1 with aldehyde.,CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc(C#N)c1,nitrile,aldehyde
206763,Replace a hydroxyl in the molecule CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[C@H](C)O)c(F)c1 by carboxyl.,CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[C@H](C)O)c(F)c1,hydroxyl,carboxyl
247853,Replace a halo in the molecule CN(C)c1ccc([C@@H]2[NH2+]C[C@H](CSc3ncc(C(F)(F)F)cc3Cl)O2)cc1 by thiol.,CN(C)c1ccc([C@@H]2[NH2+]C[C@H](CSc3ncc(C(F)(F)F)cc3Cl)O2)cc1,halo,thiol
246107,Please replace a halo in the molecule Nc1cc(F)c(OCc2ccc(C(=O)[O-])cc2)cc1F with nitrile.,Nc1cc(F)c(OCc2ccc(C(=O)[O-])cc2)cc1F,halo,nitrile
80319,Substitute a halo in the molecule CC1(C)CCC[C@H]1Nc1cc2c(cc1Br)OCCO2 with aldehyde.,CC1(C)CCC[C@H]1Nc1cc2c(cc1Br)OCCO2,halo,aldehyde
132465,Modify the molecule COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)cc1OC by replacing a halo by carboxyl.,COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)cc1OC,halo,carboxyl
135925,Please replace a hydroxyl in the molecule COc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 with carboxyl.,COc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21,hydroxyl,carboxyl
203660,Modify the molecule C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1O by replacing a hydroxyl by aldehyde.,C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1O,hydroxyl,aldehyde
107948,Replace a halo in the molecule O=C(NC1(c2ccccc2)CC1)[C@H]1CC(Cc2cccc(F)c2)=NO1 by carboxyl.,O=C(NC1(c2ccccc2)CC1)[C@H]1CC(Cc2cccc(F)c2)=NO1,halo,carboxyl
21537,Replace a nitrile in the molecule N#CCCCCO[C@@H]1CCC[C@H]([NH3+])C1 by hydroxyl.,N#CCCCCO[C@@H]1CCC[C@H]([NH3+])C1,nitrile,hydroxyl
53629,Please replace a hydroxyl in the molecule O=C(C[C@@H](O)c1ccccc1)NCC(=O)OC1CCCCC1 with thiol.,O=C(C[C@@H](O)c1ccccc1)NCC(=O)OC1CCCCC1,hydroxyl,thiol
158788,Substitute a halo in the molecule COc1cc(F)cc(C[NH2+]Cc2ccc(SC)c(OC)c2)c1 with thiol.,COc1cc(F)cc(C[NH2+]Cc2ccc(SC)c(OC)c2)c1,halo,thiol
30257,Modify the molecule Cc1cccc(C)c1OCCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21 by substituting a halo with aldehyde.,Cc1cccc(C)c1OCCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21,halo,aldehyde
7205,Modify the molecule COC(=O)c1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 by replacing a halo by aldehyde.,COC(=O)c1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1,halo,aldehyde
93721,Please replace a nitro in the molecule CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)c2ncccc2[N+](=O)[O-])C1 with halo.,CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)c2ncccc2[N+](=O)[O-])C1,nitro,halo
60836,Substitute a nitrile in the molecule C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O)c1ccco1 with halo.,C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O)c1ccco1,nitrile,halo
242581,Please replace a halo in the molecule O=C([C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 with hydroxyl.,O=C([C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1,halo,hydroxyl
76236,Substitute a hydroxyl in the molecule COC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 with aldehyde.,COC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1,hydroxyl,aldehyde
112018,Replace a nitrile in the molecule CCC1(C(=O)N2CCC[C@H](C#N)C2)CCCC1 by hydroxyl.,CCC1(C(=O)N2CCC[C@H](C#N)C2)CCCC1,nitrile,hydroxyl
179026,Modify the molecule O=C(NCCCCOc1ccccc1)c1ccccc1Br by replacing a halo by nitro.,O=C(NCCCCOc1ccccc1)c1ccccc1Br,halo,nitro
161257,Please replace a halo in the molecule O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccccc1Cc1ccc(Cl)cc1 with hydroxyl.,O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccccc1Cc1ccc(Cl)cc1,halo,hydroxyl
193260,Substitute a hydroxyl in the molecule C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1 with thiol.,C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1,hydroxyl,thiol
143186,Please substitute a hydroxyl in the molecule C[C@@](O)(CNC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccs1 by nitrile.,C[C@@](O)(CNC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccs1,hydroxyl,nitrile
98507,Please replace a halo in the molecule CC[C@@H](NC(=O)Nc1cnn(C)c1)c1ccc(Br)cc1 with nitro.,CC[C@@H](NC(=O)Nc1cnn(C)c1)c1ccc(Br)cc1,halo,nitro
32427,Substitute a nitrile in the molecule CCc1nc(CN(c2cccc(C#N)c2)S(C)(=O)=O)no1 with thiol.,CCc1nc(CN(c2cccc(C#N)c2)S(C)(=O)=O)no1,nitrile,thiol
60622,Please substitute a halo in the molecule O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cn2cccnc2n1 by carboxyl.,O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cn2cccnc2n1,halo,carboxyl
206178,Modify the molecule O=C(CSc1nc2c(c(=O)[nH]1)C[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 by substituting a halo with nitrile.,O=C(CSc1nc2c(c(=O)[nH]1)C[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1,halo,nitrile
204716,Please replace a halo in the molecule Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1 with thiol.,Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1,halo,thiol
246092,Modify the molecule CC(C)(C)CC[C@@H](CBr)c1ccccc1F by replacing a halo by thiol.,CC(C)(C)CC[C@@H](CBr)c1ccccc1F,halo,thiol
141803,Replace a halo in the molecule COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl by thiol.,COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl,halo,thiol
99233,Replace a halo in the molecule C=C(C(=O)OC)[C@@H](O)c1csc(-c2ccc(Cl)cc2)n1 by aldehyde.,C=C(C(=O)OC)[C@@H](O)c1csc(-c2ccc(Cl)cc2)n1,halo,aldehyde
20226,Modify the molecule COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 by substituting a halo with hydroxyl.,COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1,halo,hydroxyl
156993,Substitute a hydroxyl in the molecule Cc1sc2nc([C@H](C)OC(=O)c3cccc(O)c3)[nH]c(=O)c2c1C with halo.,Cc1sc2nc([C@H](C)OC(=O)c3cccc(O)c3)[nH]c(=O)c2c1C,hydroxyl,halo
103961,Modify the molecule CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(Cl)c1C by substituting a halo with nitrile.,CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(Cl)c1C,halo,nitrile
123260,Please substitute a nitrile in the molecule CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+](C)CCOCC2CC2)C1 by aldehyde.,CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+](C)CCOCC2CC2)C1,nitrile,aldehyde
47973,Replace a hydroxyl in the molecule O=C(NCc1ccnc(OCc2ccccc2)c1)N[C@@H]1CCC[C@@H]1CO by nitrile.,O=C(NCc1ccnc(OCc2ccccc2)c1)N[C@@H]1CCC[C@@H]1CO,hydroxyl,nitrile
126053,Please substitute a hydroxyl in the molecule CN(CC(C)(C)O)C(=O)c1cccc(OC(F)F)c1 by aldehyde.,CN(CC(C)(C)O)C(=O)c1cccc(OC(F)F)c1,hydroxyl,aldehyde
20214,Replace a hydroxyl in the molecule C[NH2+][C@H]1CC[C@@H](Cc2ccc(O)cc2)[C@@H]1C by carboxyl.,C[NH2+][C@H]1CC[C@@H](Cc2ccc(O)cc2)[C@@H]1C,hydroxyl,carboxyl
45686,Please substitute a halo in the molecule CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 by nitrile.,CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1,halo,nitrile
242339,Replace a hydroxyl in the molecule COc1cc(-c2nc(-c3ccccc3Br)n[nH]2)ccc1O by nitro.,COc1cc(-c2nc(-c3ccccc3Br)n[nH]2)ccc1O,hydroxyl,nitro
178033,Please substitute a nitrile in the molecule CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N by hydroxyl.,CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N,nitrile,hydroxyl
176609,Replace a hydroxyl in the molecule O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1C=C[C@H](CO)C1 by halo.,O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1C=C[C@H](CO)C1,hydroxyl,halo
185877,Replace a halo in the molecule COC(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(F)c1 by nitro.,COC(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(F)c1,halo,nitro
54106,Modify the molecule CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 by substituting a halo with thiol.,CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1,halo,thiol
60107,Replace a hydroxyl in the molecule Cc1cscc1C(=O)NO by nitro.,Cc1cscc1C(=O)NO,hydroxyl,nitro
152631,Substitute a nitro in the molecule C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] with thiol.,C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-],nitro,thiol
12501,Please replace a halo in the molecule Cc1ccc2ncc(CN3CCN(Cc4ccc(Cl)nc4)CC3)n2c1 with thiol.,Cc1ccc2ncc(CN3CCN(Cc4ccc(Cl)nc4)CC3)n2c1,halo,thiol
212882,Replace a hydroxyl in the molecule COc1ccccc1[C@H](C)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 by aldehyde.,COc1ccccc1[C@H](C)NC(=O)N[C@H](CO)c1ccc(Cl)cc1,hydroxyl,aldehyde
217011,Please replace a nitrile in the molecule CC(C)C[NH+](C(C)C)[C@@H]1CCC[C@@](C#N)(NC2CC2)C1 with carboxyl.,CC(C)C[NH+](C(C)C)[C@@H]1CCC[C@@](C#N)(NC2CC2)C1,nitrile,carboxyl
242783,Substitute a nitrile in the molecule COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1 with aldehyde.,COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1,nitrile,aldehyde
100194,Please substitute a halo in the molecule CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 by nitro.,CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1,halo,nitro
157057,Please replace a hydroxyl in the molecule C[C@@H]([NH2+][C@@H](CO)c1ccccc1F)c1cccs1 with aldehyde.,C[C@@H]([NH2+][C@@H](CO)c1ccccc1F)c1cccs1,hydroxyl,aldehyde
186195,Modify the molecule Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 by replacing a halo by nitro.,Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1,halo,nitro
138164,Replace a halo in the molecule COc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)n1 by hydroxyl.,COc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)n1,halo,hydroxyl
33957,Modify the molecule CCc1nn(C)c(OC)c1CNc1cc(Cl)nc(C)n1 by substituting a halo with nitrile.,CCc1nn(C)c(OC)c1CNc1cc(Cl)nc(C)n1,halo,nitrile
88386,Modify the molecule O=C(CN1CCO[C@@H](CO)C1)Nc1ccc(Cl)cc1 by substituting a halo with carboxyl.,O=C(CN1CCO[C@@H](CO)C1)Nc1ccc(Cl)cc1,halo,carboxyl
34509,Please replace a halo in the molecule CC1=C(C2[NH+]=c3cc(C)c(C)cc3=[NH+]2)[C@@H](Cl)N(C)N1 with thiol.,CC1=C(C2[NH+]=c3cc(C)c(C)cc3=[NH+]2)[C@@H](Cl)N(C)N1,halo,thiol
68976,Please replace a halo in the molecule O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccn1 with thiol.,O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccn1,halo,thiol
3161,Modify the molecule CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1 by replacing a halo by aldehyde.,CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1,halo,aldehyde
74894,Substitute a nitrile in the molecule CCN1CCN(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C(=O)C1=O with nitro.,CCN1CCN(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C(=O)C1=O,nitrile,nitro
194064,Substitute a nitrile in the molecule N#Cc1c(SCn2cc(Br)cn2)nc(C(F)(F)F)c2c1CCC2 with aldehyde.,N#Cc1c(SCn2cc(Br)cn2)nc(C(F)(F)F)c2c1CCC2,nitrile,aldehyde
138855,Modify the molecule O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 by replacing a halo by thiol.,O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1,halo,thiol
125666,Please substitute a halo in the molecule CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 by nitro.,CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1,halo,nitro
23304,Replace a halo in the molecule COc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1F by nitrile.,COc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1F,halo,nitrile
242202,Please replace a hydroxyl in the molecule CCOC(=O)[C@H](O)C=C(C)C with nitrile.,CCOC(=O)[C@H](O)C=C(C)C,hydroxyl,nitrile
42594,Replace a nitrile in the molecule CCc1ccc(NC(=O)C(=O)NCC#N)cc1 by hydroxyl.,CCc1ccc(NC(=O)C(=O)NCC#N)cc1,nitrile,hydroxyl
152131,Modify the molecule C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 by substituting a halo with hydroxyl.,C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C1,halo,hydroxyl
60645,Replace a nitro in the molecule COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 by hydroxyl.,COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,nitro,hydroxyl
162332,Replace a nitrile in the molecule CC[C@H](C#N)OC(=O)CNC(=O)Cc1cccc(F)c1 by carboxyl.,CC[C@H](C#N)OC(=O)CNC(=O)Cc1cccc(F)c1,nitrile,carboxyl
226000,Please substitute a nitrile in the molecule N#Cc1c(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)sc2c1CCC2 by nitro.,N#Cc1c(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)sc2c1CCC2,nitrile,nitro
71193,Modify the molecule O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](c2ccn[nH]2)C1 by substituting a halo with aldehyde.,O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](c2ccn[nH]2)C1,halo,aldehyde
80902,Replace a halo in the molecule O=C(c1cccc(F)c1)N1C[C@H]2CCCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 by hydroxyl.,O=C(c1cccc(F)c1)N1C[C@H]2CCCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1,halo,hydroxyl
233728,Modify the molecule O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] by replacing a nitro by aldehyde.,O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-],nitro,aldehyde
203220,Please substitute a halo in the molecule Cc1cnc(NC(=O)CCn2cc(Br)ccc2=O)s1 by hydroxyl.,Cc1cnc(NC(=O)CCn2cc(Br)ccc2=O)s1,halo,hydroxyl
158607,Please substitute a halo in the molecule Cc1cc(C)c(NNC(=O)c2cnn(-c3ccccc3F)c2)c(C)c1 by hydroxyl.,Cc1cc(C)c(NNC(=O)c2cnn(-c3ccccc3F)c2)c(C)c1,halo,hydroxyl
162129,Modify the molecule C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc2ccccc2[nH]1 by substituting a halo with nitro.,C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc2ccccc2[nH]1,halo,nitro
146075,Please replace a halo in the molecule CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 with nitrile.,CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,halo,nitrile
88653,Please replace a halo in the molecule CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 with nitro.,CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1,halo,nitro
9807,Modify the molecule COc1ccccc1NC(=O)CNc1cccc(Cl)c1Cl by substituting a halo with aldehyde.,COc1ccccc1NC(=O)CNc1cccc(Cl)c1Cl,halo,aldehyde
29475,Substitute a halo in the molecule COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1I with nitro.,COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1I,halo,nitro
99921,Substitute a halo in the molecule CCC[C@@H]1CO[C@](Cn2cnnc2)(c2ccc(Cl)cc2Cl)O1 with aldehyde.,CCC[C@@H]1CO[C@](Cn2cnnc2)(c2ccc(Cl)cc2Cl)O1,halo,aldehyde
91271,Modify the molecule CC(C)OC[C@@H](O)CI by substituting a halo with hydroxyl.,CC(C)OC[C@@H](O)CI,halo,hydroxyl
194680,Modify the molecule C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)c(C)c1 by replacing a halo by nitro.,C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)c(C)c1,halo,nitro
226922,Modify the molecule CCc1ccc([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1 by substituting a halo with carboxyl.,CCc1ccc([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1,halo,carboxyl
122151,Please replace a halo in the molecule CC[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC with thiol.,CC[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC,halo,thiol
143836,Please substitute a halo in the molecule O[C@H](c1ccc(F)c(Br)c1)c1c(F)cccc1Cl by thiol.,O[C@H](c1ccc(F)c(Br)c1)c1c(F)cccc1Cl,halo,thiol
240428,Please substitute a nitro in the molecule CCc1ccccc1N1C(=O)/C(=C(\C)c2ccc([N+](=O)[O-])cc2)SC1=S by thiol.,CCc1ccccc1N1C(=O)/C(=C(\C)c2ccc([N+](=O)[O-])cc2)SC1=S,nitro,thiol
147018,Substitute a halo in the molecule C[C@@H]1CCC(=O)N(Cc2cccc(Cl)n2)CC1 with nitrile.,C[C@@H]1CCC(=O)N(Cc2cccc(Cl)n2)CC1,halo,nitrile
100490,Modify the molecule O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 by substituting a halo with thiol.,O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1,halo,thiol
107886,Modify the molecule C[C@H](CC#N)N(C)C[C@@H]1CSc2ccccc21 by substituting a nitrile with aldehyde.,C[C@H](CC#N)N(C)C[C@@H]1CSc2ccccc21,nitrile,aldehyde
238094,Modify the molecule Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccccc1F by substituting a halo with nitrile.,Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccccc1F,halo,nitrile
47407,Modify the molecule CS(=O)(=O)N[C@@H]1CCC[NH+](CCc2ccc(OC(F)(F)F)cc2)C1 by substituting a halo with nitro.,CS(=O)(=O)N[C@@H]1CCC[NH+](CCc2ccc(OC(F)(F)F)cc2)C1,halo,nitro
241868,Substitute a halo in the molecule C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1 with hydroxyl.,C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1,halo,hydroxyl
63346,Replace a halo in the molecule COc1c(Br)cccc1CNC(=O)N[C@H](C)CC(C)(C)OC by hydroxyl.,COc1c(Br)cccc1CNC(=O)N[C@H](C)CC(C)(C)OC,halo,hydroxyl
147404,Substitute a halo in the molecule CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)cc1OC with aldehyde.,CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)cc1OC,halo,aldehyde
63526,Modify the molecule O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 by substituting a nitro with hydroxyl.,O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1,nitro,hydroxyl
121646,Modify the molecule O=C([O-])[C@@H](Cc1ccc(O)cc1)Nc1c2ccccc2[nH+]c2ccccc12 by substituting a hydroxyl with halo.,O=C([O-])[C@@H](Cc1ccc(O)cc1)Nc1c2ccccc2[nH+]c2ccccc12,hydroxyl,halo
57094,Please substitute a hydroxyl in the molecule CCOC[C@@H](O)C[C@H]1C[C@H](C(C)(C)C)CCC1=O by halo.,CCOC[C@@H](O)C[C@H]1C[C@H](C(C)(C)C)CCC1=O,hydroxyl,halo
175820,Modify the molecule CC[C@@](C)(NC(=O)Nc1c(C)cccc1Cl)C(=O)[O-] by replacing a halo by nitro.,CC[C@@](C)(NC(=O)Nc1c(C)cccc1Cl)C(=O)[O-],halo,nitro
199916,Modify the molecule O=C1NC(=O)C2(CCN(C(=O)c3cc(Br)c[nH]3)CC2)N1 by substituting a halo with hydroxyl.,O=C1NC(=O)C2(CCN(C(=O)c3cc(Br)c[nH]3)CC2)N1,halo,hydroxyl
14694,Replace a halo in the molecule C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 by nitro.,C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1,halo,nitro
149716,Please substitute a halo in the molecule COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCc1ccccc1 by hydroxyl.,COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCc1ccccc1,halo,hydroxyl
140203,Modify the molecule C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 by replacing a halo by carboxyl.,C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1,halo,carboxyl
78661,Please substitute a nitro in the molecule O=[N+]([O-])c1c(Nc2ccc3c(c2)OCCO3)nc2ccccn12 by carboxyl.,O=[N+]([O-])c1c(Nc2ccc3c(c2)OCCO3)nc2ccccn12,nitro,carboxyl
229219,Please replace a hydroxyl in the molecule O=S(=O)([O-])c1ccc(N/N=C/c2ccccc2O)cc1 with nitro.,O=S(=O)([O-])c1ccc(N/N=C/c2ccccc2O)cc1,hydroxyl,nitro
143252,Modify the molecule C[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] by substituting a nitro with hydroxyl.,C[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-],nitro,hydroxyl
202776,Please substitute a halo in the molecule CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 by aldehyde.,CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1,halo,aldehyde
218578,Please replace a halo in the molecule CN(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 with carboxyl.,CN(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21,halo,carboxyl
98404,Modify the molecule Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Cl)n1C by replacing a nitro by carboxyl.,Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Cl)n1C,nitro,carboxyl
195711,Replace a halo in the molecule CC/[NH+]=C(/NCc1ccc(Cl)cc1Cl)NCC1([O-])CCC1 by carboxyl.,CC/[NH+]=C(/NCc1ccc(Cl)cc1Cl)NCC1([O-])CCC1,halo,carboxyl
159437,Please substitute a halo in the molecule Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)o1 by hydroxyl.,Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)o1,halo,hydroxyl
28913,Modify the molecule CC[NH2+]C[C@]1(c2ccc(F)cc2Cl)CCC[C@@H]1C by substituting a halo with aldehyde.,CC[NH2+]C[C@]1(c2ccc(F)cc2Cl)CCC[C@@H]1C,halo,aldehyde
248667,Modify the molecule CCn1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 by substituting a nitro with halo.,CCn1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1,nitro,halo
192990,Replace a halo in the molecule CN(C)C[C@@H]([NH3+])c1occc1Br by hydroxyl.,CN(C)C[C@@H]([NH3+])c1occc1Br,halo,hydroxyl
200489,Please replace a halo in the molecule O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1 with carboxyl.,O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1,halo,carboxyl
30887,Please replace a halo in the molecule COc1ccc(C(=O)c2ccccc2)c(Cl)c1 with hydroxyl.,COc1ccc(C(=O)c2ccccc2)c(Cl)c1,halo,hydroxyl
174778,Substitute a halo in the molecule CS(=O)(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 with nitro.,CS(=O)(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1,halo,nitro
205951,Replace a halo in the molecule CC(C)CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 by hydroxyl.,CC(C)CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1,halo,hydroxyl
225485,Modify the molecule CCCc1c(C)nn(C(=O)/C(C#N)=N/Nc2ccccc2[N+](=O)[O-])c1C by substituting a nitro with aldehyde.,CCCc1c(C)nn(C(=O)/C(C#N)=N/Nc2ccccc2[N+](=O)[O-])c1C,nitro,aldehyde
160066,Modify the molecule COc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccco2)CC1 by substituting a halo with carboxyl.,COc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccco2)CC1,halo,carboxyl
216594,Please substitute a halo in the molecule O=C(COc1ccc(Br)cc1CO)NCc1ccco1 by nitro.,O=C(COc1ccc(Br)cc1CO)NCc1ccco1,halo,nitro
110026,Replace a halo in the molecule Cn1cccc1C(=O)Oc1ccc(C(F)(F)F)cc1 by aldehyde.,Cn1cccc1C(=O)Oc1ccc(C(F)(F)F)cc1,halo,aldehyde
137389,Modify the molecule O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H](CO)Cc1ccccc1 by substituting a hydroxyl with carboxyl.,O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H](CO)Cc1ccccc1,hydroxyl,carboxyl
95434,Please replace a halo in the molecule C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)[NH+]1CCCN(CC(F)F)CC1 with nitrile.,C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)[NH+]1CCCN(CC(F)F)CC1,halo,nitrile
100916,Please replace a hydroxyl in the molecule CC[NH+](CC)CC[C@@H](O)c1cccnc1 with aldehyde.,CC[NH+](CC)CC[C@@H](O)c1cccnc1,hydroxyl,aldehyde
27748,Modify the molecule CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] by replacing a halo by thiol.,CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-],halo,thiol
77649,Please replace a halo in the molecule CCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(F)cc2)cc1 with hydroxyl.,CCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(F)cc2)cc1,halo,hydroxyl
212141,Replace a halo in the molecule [NH3+]CC1([C@H](O)c2cc(Cl)c3c(c2)OCO3)CCOCC1 by nitrile.,[NH3+]CC1([C@H](O)c2cc(Cl)c3c(c2)OCO3)CCOCC1,halo,nitrile
31713,Substitute a halo in the molecule CCC[NH2+]C[C@@H](Cc1cscn1)c1ccccc1F with carboxyl.,CCC[NH2+]C[C@@H](Cc1cscn1)c1ccccc1F,halo,carboxyl
144321,Modify the molecule CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 by substituting a halo with nitrile.,CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1,halo,nitrile
13952,Modify the molecule Cc1cnc2c(S(=O)(=O)N[C@@H](C)c3ccccc3Cl)cccc2c1 by replacing a halo by hydroxyl.,Cc1cnc2c(S(=O)(=O)N[C@@H](C)c3ccccc3Cl)cccc2c1,halo,hydroxyl
186333,Please substitute a halo in the molecule Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 by carboxyl.,Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1,halo,carboxyl
209097,Please substitute a hydroxyl in the molecule C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=C[C@H](CO)C1 by thiol.,C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=C[C@H](CO)C1,hydroxyl,thiol
34634,Modify the molecule COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)c(F)c3)sc2c1 by substituting a halo with thiol.,COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)c(F)c3)sc2c1,halo,thiol
94018,Modify the molecule CC[NH+]1CCC(O)(C2(C#N)CCCC2)CC1 by replacing a nitrile by nitro.,CC[NH+]1CCC(O)(C2(C#N)CCCC2)CC1,nitrile,nitro
167953,Replace a hydroxyl in the molecule COC[C@@](C)(O)CNC(=O)c1cc(OC)cc(OC)c1 by thiol.,COC[C@@](C)(O)CNC(=O)c1cc(OC)cc(OC)c1,hydroxyl,thiol
221484,Please replace a halo in the molecule Nc1c(Br)cnn1[C@@H]1CCC[C@@H]1O with thiol.,Nc1c(Br)cnn1[C@@H]1CCC[C@@H]1O,halo,thiol
86426,Substitute a halo in the molecule Cc1ccc(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 with aldehyde.,Cc1ccc(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1,halo,aldehyde
239158,Modify the molecule O=C(NCC1(O)CCSCC1)N[C@@H]1CCC[C@H](C2CC2)C1 by replacing a hydroxyl by nitro.,O=C(NCC1(O)CCSCC1)N[C@@H]1CCC[C@H](C2CC2)C1,hydroxyl,nitro
168337,Replace a halo in the molecule O=[S@](Cc1ccccc1)C(Cl)(Cl)c1ccccc1 by nitrile.,O=[S@](Cc1ccccc1)C(Cl)(Cl)c1ccccc1,halo,nitrile
81154,Modify the molecule CC[C@@H](CCO)NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C by replacing a hydroxyl by thiol.,CC[C@@H](CCO)NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C,hydroxyl,thiol
81425,Please replace a halo in the molecule Clc1ccc(C[C@H](NCc2cccnc2)c2ccccc2)cc1 with nitrile.,Clc1ccc(C[C@H](NCc2cccnc2)c2ccccc2)cc1,halo,nitrile
111445,Substitute a halo in the molecule O=C(c1ccc2c(Cl)c3c(nc2c1)CCC3)N1CCCCC1 with hydroxyl.,O=C(c1ccc2c(Cl)c3c(nc2c1)CCC3)N1CCCCC1,halo,hydroxyl
145388,Modify the molecule Cc1cc(NC(=O)c2cccc(F)c2)ccn1 by substituting a halo with nitro.,Cc1cc(NC(=O)c2cccc(F)c2)ccn1,halo,nitro
144723,Modify the molecule N#CC1(NC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CCCCC1 by substituting a nitrile with nitro.,N#CC1(NC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CCCCC1,nitrile,nitro
48766,Substitute a halo in the molecule C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 with thiol.,C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1,halo,thiol
171275,Please substitute a halo in the molecule Cc1ccc(NC(=O)COC(=O)c2ccccc2I)c(Cl)c1 by nitrile.,Cc1ccc(NC(=O)COC(=O)c2ccccc2I)c(Cl)c1,halo,nitrile
22693,Please substitute a halo in the molecule O=C(c1cnc(N2CCC(O)CC2)c(Cl)c1)N1CCCCC1 by thiol.,O=C(c1cnc(N2CCC(O)CC2)c(Cl)c1)N1CCCCC1,halo,thiol
170233,Modify the molecule Cc1nc(CN2CCN(C(=O)c3c[nH]c4cccc(F)c34)CC2)oc1C by substituting a halo with nitro.,Cc1nc(CN2CCN(C(=O)c3c[nH]c4cccc(F)c34)CC2)oc1C,halo,nitro
6504,Modify the molecule Cc1nn(-c2ccc(Cl)cc2)c(C)c1CCC[NH3+] by replacing a halo by nitro.,Cc1nn(-c2ccc(Cl)cc2)c(C)c1CCC[NH3+],halo,nitro
54752,Please replace a halo in the molecule N#Cc1cc(NC(=O)NCCNC(=O)c2cccnc2)ccc1F with hydroxyl.,N#Cc1cc(NC(=O)NCCNC(=O)c2cccnc2)ccc1F,halo,hydroxyl
135792,Please replace a nitro in the molecule Cc1n[nH]c2ncc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc12 with aldehyde.,Cc1n[nH]c2ncc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc12,nitro,aldehyde
134538,Substitute a halo in the molecule N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)C(=O)NCc1ccccc1 with aldehyde.,N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)C(=O)NCc1ccccc1,halo,aldehyde
34278,Substitute a halo in the molecule CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 with carboxyl.,CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1,halo,carboxyl
110662,Please substitute a halo in the molecule N[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F by aldehyde.,N[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F,halo,aldehyde
225015,Modify the molecule Cc1ccc([C@@H](C)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] by replacing a nitro by thiol.,Cc1ccc([C@@H](C)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-],nitro,thiol
123007,Replace a hydroxyl in the molecule CC[C@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)N1CCOCC1 by halo.,CC[C@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)N1CCOCC1,hydroxyl,halo
11577,Please replace a halo in the molecule Fc1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1 with carboxyl.,Fc1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1,halo,carboxyl
3212,Modify the molecule C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc([N+](=O)[O-])c1 by replacing a nitro by hydroxyl.,C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc([N+](=O)[O-])c1,nitro,hydroxyl
233602,Replace a halo in the molecule FC(F)(F)Cn1ccnc1CN1CCc2ccccc21 by hydroxyl.,FC(F)(F)Cn1ccnc1CN1CCc2ccccc21,halo,hydroxyl
100347,Modify the molecule CC(C)CC(=O)N1CCC[C@H]1C[C@H](C)O by substituting a hydroxyl with carboxyl.,CC(C)CC(=O)N1CCC[C@H]1C[C@H](C)O,hydroxyl,carboxyl
75408,Substitute a hydroxyl in the molecule CCn1c(NNC(=O)CC2(O)CCCCC2)nc2ccccc2c1=O with thiol.,CCn1c(NNC(=O)CC2(O)CCCCC2)nc2ccccc2c1=O,hydroxyl,thiol
73200,Modify the molecule O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O by substituting a nitro with hydroxyl.,O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O,nitro,hydroxyl
101367,Please substitute a halo in the molecule O=C([C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12)N1CCOCC1 by thiol.,O=C([C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12)N1CCOCC1,halo,thiol
51362,Modify the molecule O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 by substituting a halo with carboxyl.,O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1,halo,carboxyl
112287,Substitute a nitro in the molecule CC(C)[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] with nitrile.,CC(C)[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-],nitro,nitrile
71765,Substitute a nitrile in the molecule C[C@H]1CC[C@@](C#N)([C@H](O)c2ccoc2)C1 with aldehyde.,C[C@H]1CC[C@@](C#N)([C@H](O)c2ccoc2)C1,nitrile,aldehyde
123066,Substitute a halo in the molecule Fc1cc2c(c(CN3CCN(c4ccccc4)CC3)c1)OCOC2 with thiol.,Fc1cc2c(c(CN3CCN(c4ccccc4)CC3)c1)OCOC2,halo,thiol
87954,Modify the molecule CCO/C([O-])=C(\C#N)C(=O)c1ccccc1 by substituting a nitrile with thiol.,CCO/C([O-])=C(\C#N)C(=O)c1ccccc1,nitrile,thiol
246941,Please replace a halo in the molecule O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 with hydroxyl.,O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1,halo,hydroxyl
249356,Please replace a halo in the molecule CCc1nc(C[NH+]2CCC(CNc3ccc(Cl)cn3)CC2)cs1 with carboxyl.,CCc1nc(C[NH+]2CCC(CNc3ccc(Cl)cn3)CC2)cs1,halo,carboxyl
39386,Please substitute a halo in the molecule C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 by carboxyl.,C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1,halo,carboxyl
91967,Replace a halo in the molecule Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] by nitro.,Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-],halo,nitro
248746,Modify the molecule CN1C(=O)[C@](O)(C/C([O-])=C2/CCc3ccccc3C2=O)c2cc(Cl)ccc21 by replacing a hydroxyl by thiol.,CN1C(=O)[C@](O)(C/C([O-])=C2/CCc3ccccc3C2=O)c2cc(Cl)ccc21,hydroxyl,thiol
149817,Please replace a hydroxyl in the molecule C[C@H]1SCCC[C@@]1(O)Cc1ccc(Cl)s1 with nitro.,C[C@H]1SCCC[C@@]1(O)Cc1ccc(Cl)s1,hydroxyl,nitro
210900,Please substitute a halo in the molecule O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 by carboxyl.,O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1,halo,carboxyl
22569,Replace a hydroxyl in the molecule CC(C)[C@@H](O)C[C@@H]1CCCCC[C@@H]1O by carboxyl.,CC(C)[C@@H](O)C[C@@H]1CCCCC[C@@H]1O,hydroxyl,carboxyl
232567,Please substitute a halo in the molecule O=C1[C@@H]2CCCCN2C(=O)CCN1CCC(F)(F)F by nitrile.,O=C1[C@@H]2CCCCN2C(=O)CCN1CCC(F)(F)F,halo,nitrile
207506,Please replace a hydroxyl in the molecule CC(C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1Cl with thiol.,CC(C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1Cl,hydroxyl,thiol
161566,Modify the molecule C[C@@H]1C[NH2+][C@H](c2cc(F)cc(F)c2)CS1 by replacing a halo by aldehyde.,C[C@@H]1C[NH2+][C@H](c2cc(F)cc(F)c2)CS1,halo,aldehyde
1923,Replace a halo in the molecule COc1ccc2nc(-c3ccc(Cl)c(NC(=O)NCc4ccccc4)c3)cn2n1 by carboxyl.,COc1ccc2nc(-c3ccc(Cl)c(NC(=O)NCc4ccccc4)c3)cn2n1,halo,carboxyl
48662,Substitute a halo in the molecule O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1 with thiol.,O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1,halo,thiol
103541,Please replace a halo in the molecule C#Cc1cccc(NC(=O)CBr)c1 with hydroxyl.,C#Cc1cccc(NC(=O)CBr)c1,halo,hydroxyl
105704,Modify the molecule FC(F)(F)CCc1noc(COC2CC[NH2+]CC2)n1 by substituting a halo with hydroxyl.,FC(F)(F)CCc1noc(COC2CC[NH2+]CC2)n1,halo,hydroxyl
149451,Modify the molecule C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 by replacing a halo by carboxyl.,C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1,halo,carboxyl
30439,Modify the molecule CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 by replacing a halo by nitro.,CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1,halo,nitro
210394,Replace a halo in the molecule O=S1(=O)CCC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc32)C1 by hydroxyl.,O=S1(=O)CCC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc32)C1,halo,hydroxyl
176512,Modify the molecule Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2C(=O)CNC2=O)C(=O)CCC1 by substituting a hydroxyl with aldehyde.,Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2C(=O)CNC2=O)C(=O)CCC1,hydroxyl,aldehyde
223104,Substitute a halo in the molecule Cc1ccc(Br)c(O)c1 with hydroxyl.,Cc1ccc(Br)c(O)c1,halo,hydroxyl
218525,Please substitute a halo in the molecule C[C@@H](Cl)OC(=O)Sc1ccccc1 by nitrile.,C[C@@H](Cl)OC(=O)Sc1ccccc1,halo,nitrile
98084,Please substitute a halo in the molecule Cc1noc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 by hydroxyl.,Cc1noc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1,halo,hydroxyl
244446,Substitute a halo in the molecule CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)C1 with carboxyl.,CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)C1,halo,carboxyl
36928,Please substitute a halo in the molecule CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F by aldehyde.,CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F,halo,aldehyde
190686,Replace a halo in the molecule O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1 by hydroxyl.,O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1,halo,hydroxyl
21380,Please substitute a halo in the molecule COC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 by hydroxyl.,COC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,halo,hydroxyl
73962,Please substitute a halo in the molecule CCc1cc(OC(=O)CCc2c(C)nc3ncnn3c2C)ccc1Cl by nitrile.,CCc1cc(OC(=O)CCc2c(C)nc3ncnn3c2C)ccc1Cl,halo,nitrile
144074,Please replace a hydroxyl in the molecule COc1cccc([C@H](O)[C@@H](C)c2ccccn2)c1OC with halo.,COc1cccc([C@H](O)[C@@H](C)c2ccccn2)c1OC,hydroxyl,halo
63804,Please replace a halo in the molecule CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl with nitrile.,CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl,halo,nitrile
135871,Substitute a nitrile in the molecule CCn1cc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)cc1C#N with halo.,CCn1cc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)cc1C#N,nitrile,halo
97242,Please replace a nitrile in the molecule CCC1(CC)CC[NH+]([C@@H]2CCC[C@@](C#N)(NC)C2)C1 with nitro.,CCC1(CC)CC[NH+]([C@@H]2CCC[C@@](C#N)(NC)C2)C1,nitrile,nitro
205726,Modify the molecule COc1ccc(OC)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 by substituting a halo with nitro.,COc1ccc(OC)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1,halo,nitro
32321,Substitute a halo in the molecule [NH3+][C@@H](c1c(F)cccc1F)[C@@H]1CCc2cccnc21 with carboxyl.,[NH3+][C@@H](c1c(F)cccc1F)[C@@H]1CCc2cccnc21,halo,carboxyl
169122,Modify the molecule Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C1CCOCC1 by substituting a nitro with halo.,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C1CCOCC1,nitro,halo
217458,Modify the molecule COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 by replacing a nitro by nitrile.,COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1,nitro,nitrile
227985,Please substitute a halo in the molecule O=C1CC[C@H](C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)O1 by hydroxyl.,O=C1CC[C@H](C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)O1,halo,hydroxyl
240601,Modify the molecule NS(=O)(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 by replacing a nitro by nitrile.,NS(=O)(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1,nitro,nitrile
65503,Modify the molecule CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C by substituting a nitro with thiol.,CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C,nitro,thiol
181134,Please replace a halo in the molecule Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 with carboxyl.,Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1,halo,carboxyl
78686,Modify the molecule Cc1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2ccccc2n1 by substituting a nitro with thiol.,Cc1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2ccccc2n1,nitro,thiol
137723,Modify the molecule Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1 by replacing a hydroxyl by carboxyl.,Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1,hydroxyl,carboxyl
199022,Please substitute a hydroxyl in the molecule CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 by aldehyde.,CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1,hydroxyl,aldehyde
177014,Modify the molecule C[NH+]1[C@H]2CC[C@@H]1CN(C1CCC(c3ccc(O)cc3)CC1)CC2 by substituting a hydroxyl with nitro.,C[NH+]1[C@H]2CC[C@@H]1CN(C1CCC(c3ccc(O)cc3)CC1)CC2,hydroxyl,nitro
121004,Substitute a halo in the molecule N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCC[C@@H]2CO)c(F)c1 with nitrile.,N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCC[C@@H]2CO)c(F)c1,halo,nitrile
83055,Modify the molecule C[C@H]1CCc2nc([S-])nc(C(F)(F)F)c2C1 by substituting a halo with carboxyl.,C[C@H]1CCc2nc([S-])nc(C(F)(F)F)c2C1,halo,carboxyl
196507,Please replace a halo in the molecule CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1 with aldehyde.,CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1,halo,aldehyde
145505,Replace a halo in the molecule COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O by nitrile.,COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O,halo,nitrile
49587,Please substitute a nitrile in the molecule Cc1cccc([C@@H](O)[C@@]2(C#N)CCOC2)c1 by carboxyl.,Cc1cccc([C@@H](O)[C@@]2(C#N)CCOC2)c1,nitrile,carboxyl
183094,Modify the molecule Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)Nc1ccc(F)cc1F by replacing a halo by hydroxyl.,Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)Nc1ccc(F)cc1F,halo,hydroxyl
3627,Replace a halo in the molecule Cc1c(Oc2ccc3cn[nH]c3c2)nn2c(C(F)(F)F)nnc2c1C by nitro.,Cc1c(Oc2ccc3cn[nH]c3c2)nn2c(C(F)(F)F)nnc2c1C,halo,nitro
145952,Substitute a hydroxyl in the molecule O=C(Nc1ccc(F)c(F)c1F)N[C@H](CO)c1ccc(Cl)cc1 with carboxyl.,O=C(Nc1ccc(F)c(F)c1F)N[C@H](CO)c1ccc(Cl)cc1,hydroxyl,carboxyl
161175,Replace a hydroxyl in the molecule Oc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cc1 by aldehyde.,Oc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cc1,hydroxyl,aldehyde
104224,Please replace a halo in the molecule CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OCc1cccc(Cl)c1 with thiol.,CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OCc1cccc(Cl)c1,halo,thiol
42425,Substitute a halo in the molecule Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 with nitrile.,Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1,halo,nitrile
132699,Modify the molecule CN(C)c1ccc(CCCNC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1 by substituting a halo with nitrile.,CN(C)c1ccc(CCCNC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1,halo,nitrile
164693,Replace a halo in the molecule C[NH2+][C@@H](CO)c1ccc(Br)c(C)c1 by nitrile.,C[NH2+][C@@H](CO)c1ccc(Br)c(C)c1,halo,nitrile
81970,Modify the molecule CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 by replacing a hydroxyl by nitro.,CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21,hydroxyl,nitro
26302,Please substitute a halo in the molecule Cc1csc(CS(=O)(=O)[C@H](C)c2ccc(F)cc2)n1 by nitro.,Cc1csc(CS(=O)(=O)[C@H](C)c2ccc(F)cc2)n1,halo,nitro
35357,Please substitute a halo in the molecule CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 by aldehyde.,CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1,halo,aldehyde
91428,Modify the molecule CCc1ccsc1C[NH2+]C[C@@H](O)CC by replacing a hydroxyl by thiol.,CCc1ccsc1C[NH2+]C[C@@H](O)CC,hydroxyl,thiol
153855,Modify the molecule C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(CCO)c3)cc2F)C[C@H](C)O1 by replacing a halo by nitrile.,C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(CCO)c3)cc2F)C[C@H](C)O1,halo,nitrile
70208,Substitute a nitrile in the molecule C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 with nitro.,C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2,nitrile,nitro
190824,Please replace a halo in the molecule CN(C)c1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc[nH+]1 with thiol.,CN(C)c1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc[nH+]1,halo,thiol
138567,Modify the molecule CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 by replacing a halo by nitro.,CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1,halo,nitro
246978,Please substitute a halo in the molecule C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)s1 by carboxyl.,C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)s1,halo,carboxyl
150148,Please substitute a hydroxyl in the molecule O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1 by nitro.,O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1,hydroxyl,nitro
126248,Replace a halo in the molecule COCCN(C)C(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 by aldehyde.,COCCN(C)C(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1,halo,aldehyde
10240,Substitute a nitrile in the molecule C[C@H]1CCC[C@](C#N)(NC(=O)CCCc2cc(F)ccc2F)C1 with aldehyde.,C[C@H]1CCC[C@](C#N)(NC(=O)CCCc2cc(F)ccc2F)C1,nitrile,aldehyde
241105,Please substitute a halo in the molecule Cc1cc(NC(=O)NCc2cccc(OCC(F)F)n2)ccc1C(N)=O by hydroxyl.,Cc1cc(NC(=O)NCc2cccc(OCC(F)F)n2)ccc1C(N)=O,halo,hydroxyl
44677,Replace a nitrile in the molecule N#Cc1ccc(/C=C/CN2CCO[C@H](c3ccsc3)C2)cc1 by aldehyde.,N#Cc1ccc(/C=C/CN2CCO[C@H](c3ccsc3)C2)cc1,nitrile,aldehyde
203119,Replace a nitrile in the molecule CCn1c(S[C@H]2CC[C@@](C#N)(NC)C2)n[nH]c1=O by aldehyde.,CCn1c(S[C@H]2CC[C@@](C#N)(NC)C2)n[nH]c1=O,nitrile,aldehyde
188470,Modify the molecule CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)s1)Oc1ccccc1F by substituting a halo with carboxyl.,CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)s1)Oc1ccccc1F,halo,carboxyl
16478,Modify the molecule C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 by replacing a halo by aldehyde.,C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1,halo,aldehyde
130478,Replace a halo in the molecule CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1c(C)cccc1Cl by aldehyde.,CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1c(C)cccc1Cl,halo,aldehyde
111756,Substitute a hydroxyl in the molecule C[C@H]1C[C@@H]([C@H](O)c2c[nH]nc2-c2ccccc2)CC[C@H]1C with aldehyde.,C[C@H]1C[C@@H]([C@H](O)c2c[nH]nc2-c2ccccc2)CC[C@H]1C,hydroxyl,aldehyde
121157,Substitute a halo in the molecule COc1ccc(Cl)cc1C(=O)Nc1ccn(C)n1 with nitro.,COc1ccc(Cl)cc1C(=O)Nc1ccn(C)n1,halo,nitro
97875,Modify the molecule CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 by replacing a halo by carboxyl.,CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1,halo,carboxyl
145211,Modify the molecule O=C(NC1=NCCS1)c1ccccc1OCc1cccc(Br)c1 by replacing a halo by nitro.,O=C(NC1=NCCS1)c1ccccc1OCc1cccc(Br)c1,halo,nitro
199673,Substitute a halo in the molecule COC(=O)c1cc(Br)ccc1NC(=O)c1ccoc1 with carboxyl.,COC(=O)c1cc(Br)ccc1NC(=O)c1ccoc1,halo,carboxyl
147426,Modify the molecule C[C@H]1C[C@H](OC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)C(=O)O1 by substituting a hydroxyl with nitrile.,C[C@H]1C[C@H](OC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)C(=O)O1,hydroxyl,nitrile
219349,Please substitute a halo in the molecule O=C(c1cnc([C@H]2CCCO2)s1)N1CCc2c(Cl)cccc21 by thiol.,O=C(c1cnc([C@H]2CCCO2)s1)N1CCc2c(Cl)cccc21,halo,thiol
139891,Modify the molecule COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC[C@H]1c1cccc(C)c1 by replacing a halo by aldehyde.,COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC[C@H]1c1cccc(C)c1,halo,aldehyde
67154,Modify the molecule COc1ccc(Cl)cc1CN1CCN([C@@H](C)c2nnc(C)o2)CC1 by substituting a halo with aldehyde.,COc1ccc(Cl)cc1CN1CCN([C@@H](C)c2nnc(C)o2)CC1,halo,aldehyde
53747,Replace a halo in the molecule Cc1ccc(O)c(NC(=O)c2ccc(Br)s2)c1 by thiol.,Cc1ccc(O)c(NC(=O)c2ccc(Br)s2)c1,halo,thiol
192220,Please replace a halo in the molecule Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCOC2)CC1 with nitrile.,Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCOC2)CC1,halo,nitrile
191514,Modify the molecule CC1(C)C[NH+]=C(N2CCN(C/C=C/c3ccc(C#N)cc3)CC2)S1 by substituting a nitrile with hydroxyl.,CC1(C)C[NH+]=C(N2CCN(C/C=C/c3ccc(C#N)cc3)CC2)S1,nitrile,hydroxyl
212986,Replace a nitro in the molecule O=[N+]([O-])/C=C\c1ccc(Sc2ccc(Cl)cc2)cc1 by nitrile.,O=[N+]([O-])/C=C\c1ccc(Sc2ccc(Cl)cc2)cc1,nitro,nitrile
191564,Modify the molecule CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 by replacing a halo by carboxyl.,CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1,halo,carboxyl
212206,Replace a hydroxyl in the molecule O=C([O-])CCCC[C@H](O)c1ccc(F)c(Br)c1 by thiol.,O=C([O-])CCCC[C@H](O)c1ccc(F)c(Br)c1,hydroxyl,thiol
173021,Modify the molecule CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1OC(F)F by substituting a halo with nitrile.,CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1OC(F)F,halo,nitrile
105850,Substitute a halo in the molecule C[C@H](CCCO)Nc1ccccc1F with aldehyde.,C[C@H](CCCO)Nc1ccccc1F,halo,aldehyde
58650,Substitute a halo in the molecule CC(C)Cn1cc(NC(=O)NNc2ncccc2Cl)cn1 with nitro.,CC(C)Cn1cc(NC(=O)NNc2ncccc2Cl)cn1,halo,nitro
234508,Modify the molecule O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(Cl)c1 by substituting a halo with aldehyde.,O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(Cl)c1,halo,aldehyde
134573,Modify the molecule O=C(c1ncccc1C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1 by substituting a halo with thiol.,O=C(c1ncccc1C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1,halo,thiol
87410,Modify the molecule C=CCn1c(Oc2ccc(C=O)cc2OCC)nc2c1c(=O)n(C)c(=O)n2C by substituting a aldehyde with halo.,C=CCn1c(Oc2ccc(C=O)cc2OCC)nc2c1c(=O)n(C)c(=O)n2C,aldehyde,halo
135430,Replace a nitrile in the molecule N#Cc1cc(Cl)nc(NNC(=O)/C=C/c2cccnc2)c1 by aldehyde.,N#Cc1cc(Cl)nc(NNC(=O)/C=C/c2cccnc2)c1,nitrile,aldehyde
181067,Substitute a halo in the molecule O=C(Oc1ccc(Br)cc1F)c1ccccn1 with nitrile.,O=C(Oc1ccc(Br)cc1F)c1ccccn1,halo,nitrile
78051,Please replace a halo in the molecule CSCC[C@@H](C)[NH+](C)Cc1cc(F)cc(F)c1 with thiol.,CSCC[C@@H](C)[NH+](C)Cc1cc(F)cc(F)c1,halo,thiol
10287,Modify the molecule COc1ccc(-n2c(COc3ccc(C#N)cc3OC)nc3ccccc32)cc1 by substituting a nitrile with carboxyl.,COc1ccc(-n2c(COc3ccc(C#N)cc3OC)nc3ccccc32)cc1,nitrile,carboxyl
80576,Modify the molecule C[C@H](NC(=O)N1CCC[C@@H](C)CC1)c1cccc(C#N)c1 by substituting a nitrile with thiol.,C[C@H](NC(=O)N1CCC[C@@H](C)CC1)c1cccc(C#N)c1,nitrile,thiol
228986,Modify the molecule C[NH2+]C[C@H](Cc1nccs1)c1ccccc1Br by replacing a halo by aldehyde.,C[NH2+]C[C@H](Cc1nccs1)c1ccccc1Br,halo,aldehyde
112455,Modify the molecule Cc1nnnn1-c1cccc(NC(=O)c2cc(F)cc3[nH]cnc23)c1 by replacing a halo by nitro.,Cc1nnnn1-c1cccc(NC(=O)c2cc(F)cc3[nH]cnc23)c1,halo,nitro
47969,Replace a nitrile in the molecule CCC[C@@H]1CC[C@H](C#N)[C@H]([NH+](C)CC)C1 by aldehyde.,CCC[C@@H]1CC[C@H](C#N)[C@H]([NH+](C)CC)C1,nitrile,aldehyde
162536,Modify the molecule CCOC(=O)C[NH+]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 by substituting a halo with nitro.,CCOC(=O)C[NH+]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1,halo,nitro
75927,Replace a halo in the molecule COc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)cc(OC)c1 by carboxyl.,COc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)cc(OC)c1,halo,carboxyl
48857,Please substitute a halo in the molecule COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC by aldehyde.,COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC,halo,aldehyde
236202,Modify the molecule Cc1cc(C)cc(CSC[C@H](C)/C(N)=N/O)c1 by substituting a hydroxyl with halo.,Cc1cc(C)cc(CSC[C@H](C)/C(N)=N/O)c1,hydroxyl,halo
197859,Modify the molecule CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 by substituting a nitrile with aldehyde.,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1,nitrile,aldehyde
103167,Modify the molecule Cc1ccc(C(=O)NCCc2ccc(O)cc2)cc1F by substituting a hydroxyl with halo.,Cc1ccc(C(=O)NCCc2ccc(O)cc2)cc1F,hydroxyl,halo
103902,Please replace a halo in the molecule CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O with nitro.,CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O,halo,nitro
72521,Please replace a nitrile in the molecule N#C[C@@H](NC(=O)c1coc(Br)c1)c1ccc(Cl)c(Cl)c1 with nitro.,N#C[C@@H](NC(=O)c1coc(Br)c1)c1ccc(Cl)c(Cl)c1,nitrile,nitro
148884,Replace a halo in the molecule Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 by nitro.,Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1,halo,nitro
189152,Please substitute a nitrile in the molecule N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(C4CCCCC4)c(=O)n2C3)cc1 by nitro.,N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(C4CCCCC4)c(=O)n2C3)cc1,nitrile,nitro
17086,Modify the molecule CCC[NH+](CC)[C@H]1CCC[C@@](CO)([NH2+]CC)C1 by replacing a hydroxyl by halo.,CCC[NH+](CC)[C@H]1CCC[C@@](CO)([NH2+]CC)C1,hydroxyl,halo
58053,Please substitute a halo in the molecule N#Cc1cc(F)c(CO)c(F)c1 by thiol.,N#Cc1cc(F)c(CO)c(F)c1,halo,thiol
112646,Replace a nitrile in the molecule N#CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 by hydroxyl.,N#CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2,nitrile,hydroxyl
195762,Modify the molecule CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)C3CCOCC3)cc2)CC1 by replacing a hydroxyl by nitro.,CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)C3CCOCC3)cc2)CC1,hydroxyl,nitro
164984,Please substitute a halo in the molecule C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCOCC1 by hydroxyl.,C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)N1CCOCC1,halo,hydroxyl
119439,Modify the molecule COc1ccc(Cl)cc1Nc1ncnc(Cl)c1N by substituting a halo with hydroxyl.,COc1ccc(Cl)cc1Nc1ncnc(Cl)c1N,halo,hydroxyl
163,Modify the molecule CCc1ncc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 by replacing a nitro by carboxyl.,CCc1ncc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1,nitro,carboxyl
247888,Replace a halo in the molecule Cc1ccc([C@@H](C)NC(=[NH2+])NC(C)C)cc1F by carboxyl.,Cc1ccc([C@@H](C)NC(=[NH2+])NC(C)C)cc1F,halo,carboxyl
158058,Substitute a halo in the molecule O=C(NCc1ccccc1)c1cc(C(F)(F)F)ccc1F with aldehyde.,O=C(NCc1ccccc1)c1cc(C(F)(F)F)ccc1F,halo,aldehyde
155214,Substitute a halo in the molecule Fc1cc(Br)cc(C[NH+]2CCC[C@H]2CCCCl)c1 with thiol.,Fc1cc(Br)cc(C[NH+]2CCC[C@H]2CCCCl)c1,halo,thiol
88943,Replace a halo in the molecule CC(C)([C@H](N)Cc1cccc(F)c1F)[NH+]1CCCCCC1 by hydroxyl.,CC(C)([C@H](N)Cc1cccc(F)c1F)[NH+]1CCCCCC1,halo,hydroxyl
245435,Please replace a halo in the molecule COc1cc2c(cc1Cl)[C@H](C)[C@H](CC(=O)N=c1[nH]c3ccccc3[nH]1)C(=O)O2 with carboxyl.,COc1cc2c(cc1Cl)[C@H](C)[C@H](CC(=O)N=c1[nH]c3ccccc3[nH]1)C(=O)O2,halo,carboxyl
163908,Substitute a nitro in the molecule CCNC(=O)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 with nitrile.,CCNC(=O)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1,nitro,nitrile
120747,Substitute a halo in the molecule N#CN(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 with nitro.,N#CN(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1,halo,nitro
139233,Modify the molecule COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 by replacing a halo by nitro.,COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1,halo,nitro
177213,Substitute a halo in the molecule CCc1c(C)nc2ccc(C)cc2c1Cl with thiol.,CCc1c(C)nc2ccc(C)cc2c1Cl,halo,thiol
29976,Modify the molecule Cc1c(C(=O)NC(=N)c2ccc(F)c(Cl)c2)cnn1C by replacing a halo by nitro.,Cc1c(C(=O)NC(=N)c2ccc(F)c(Cl)c2)cnn1C,halo,nitro
61926,Please replace a halo in the molecule O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CC=C(c2ccccc2Cl)CC1 with thiol.,O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CC=C(c2ccccc2Cl)CC1,halo,thiol
158497,Replace a hydroxyl in the molecule CC(C)CC[C@@H](C)NC(=O)CN1CCO[C@H](CO)C1 by aldehyde.,CC(C)CC[C@@H](C)NC(=O)CN1CCO[C@H](CO)C1,hydroxyl,aldehyde
198698,Substitute a hydroxyl in the molecule Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)c(F)c1F with halo.,Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)c(F)c1F,hydroxyl,halo
220020,Please replace a halo in the molecule CCOC[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 with aldehyde.,CCOC[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1,halo,aldehyde
190451,Please substitute a halo in the molecule O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)c1ccncc1 by nitrile.,O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)c1ccncc1,halo,nitrile
116661,Modify the molecule CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 by substituting a halo with aldehyde.,CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1,halo,aldehyde
72863,Substitute a hydroxyl in the molecule [NH3+]CC1([C@@H](O)c2cccs2)CCCCCC1 with nitro.,[NH3+]CC1([C@@H](O)c2cccs2)CCCCCC1,hydroxyl,nitro
111119,Substitute a halo in the molecule Cc1cc(NC(=O)C(C)(C)C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 with nitro.,Cc1cc(NC(=O)C(C)(C)C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1,halo,nitro
240925,Modify the molecule COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1 by replacing a halo by carboxyl.,COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1,halo,carboxyl
201586,Substitute a hydroxyl in the molecule O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1 with halo.,O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1,hydroxyl,halo
179906,Modify the molecule Cc1cc(C(=O)NCCOc2cccc(Br)c2)ccc1[N+](=O)[O-] by substituting a halo with thiol.,Cc1cc(C(=O)NCCOc2cccc(Br)c2)ccc1[N+](=O)[O-],halo,thiol
31116,Modify the molecule CC(C)N(C)C(=O)CN1CC[NH2+]C[C@@H]1C#N by substituting a nitrile with carboxyl.,CC(C)N(C)C(=O)CN1CC[NH2+]C[C@@H]1C#N,nitrile,carboxyl
20330,Please substitute a halo in the molecule CC[NH+](CC)C1([C@H](NC)c2c(F)cccc2F)CCCC1 by nitrile.,CC[NH+](CC)C1([C@H](NC)c2c(F)cccc2F)CCCC1,halo,nitrile
26055,Replace a hydroxyl in the molecule Cc1nn(C)c(Cl)c1[C@@H](O)[C@@H]1CCO[C@]2(CCSC2)C1 by carboxyl.,Cc1nn(C)c(Cl)c1[C@@H](O)[C@@H]1CCO[C@]2(CCSC2)C1,hydroxyl,carboxyl
142196,Modify the molecule CS(=O)(=O)c1ccc(Cl)c(NC(=O)OCCO)c1 by replacing a halo by nitro.,CS(=O)(=O)c1ccc(Cl)c(NC(=O)OCCO)c1,halo,nitro
81565,Modify the molecule C[C@@H]1CC=CC[C@@H]1COC(=O)c1ncccc1C(F)(F)F by substituting a halo with hydroxyl.,C[C@@H]1CC=CC[C@@H]1COC(=O)c1ncccc1C(F)(F)F,halo,hydroxyl
190980,Please replace a halo in the molecule CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 with aldehyde.,CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1,halo,aldehyde
42866,Modify the molecule COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F by substituting a halo with carboxyl.,COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F,halo,carboxyl
122505,Replace a nitro in the molecule COc1ncnc(OC[C@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] by thiol.,COc1ncnc(OC[C@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-],nitro,thiol
7130,Please substitute a halo in the molecule O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@H]1c1ccccc1Cl by aldehyde.,O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@H]1c1ccccc1Cl,halo,aldehyde
4301,Substitute a halo in the molecule C[C@@H](Cc1ccccn1)n1cnc2c(F)cccc2c1=O with hydroxyl.,C[C@@H](Cc1ccccn1)n1cnc2c(F)cccc2c1=O,halo,hydroxyl
80610,Modify the molecule C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccccc1 by replacing a halo by hydroxyl.,C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccccc1,halo,hydroxyl
143488,Please replace a hydroxyl in the molecule Cc1ccccc1-c1ccc(C[NH+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 with aldehyde.,Cc1ccccc1-c1ccc(C[NH+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1,hydroxyl,aldehyde
37242,Modify the molecule CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 by replacing a halo by aldehyde.,CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1,halo,aldehyde
219174,Modify the molecule CNC(=O)C[C@H](C[NH3+])Nc1ccccc1Cl by substituting a halo with thiol.,CNC(=O)C[C@H](C[NH3+])Nc1ccccc1Cl,halo,thiol
182412,Please substitute a halo in the molecule O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CCSCC1 by nitro.,O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CCSCC1,halo,nitro
128598,Please substitute a halo in the molecule Cc1noc(C)c1S(=O)(=O)Nc1cccc(Br)c1 by nitrile.,Cc1noc(C)c1S(=O)(=O)Nc1cccc(Br)c1,halo,nitrile
74476,Please replace a halo in the molecule CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O with carboxyl.,CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O,halo,carboxyl
56850,Please substitute a halo in the molecule O=C1Cc2cc([N-]S(=O)(=O)c3cc(Br)ccc3F)ccc2N1 by aldehyde.,O=C1Cc2cc([N-]S(=O)(=O)c3cc(Br)ccc3F)ccc2N1,halo,aldehyde
100720,Please replace a halo in the molecule O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF with nitrile.,O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF,halo,nitrile
181544,Please substitute a halo in the molecule Cc1cccc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1 by thiol.,Cc1cccc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1,halo,thiol
134935,Modify the molecule CCOC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CC(C)(C)OC2 by replacing a hydroxyl by carboxyl.,CCOC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CC(C)(C)OC2,hydroxyl,carboxyl
4298,Please replace a halo in the molecule Cc1ocnc1CNC(=O)N[C@H]1CCOc2c(Cl)cccc21 with carboxyl.,Cc1ocnc1CNC(=O)N[C@H]1CCOc2c(Cl)cccc21,halo,carboxyl
150754,Modify the molecule CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 by substituting a halo with aldehyde.,CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1,halo,aldehyde
320,Modify the molecule Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 by replacing a halo by nitrile.,Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1,halo,nitrile
161586,Modify the molecule CC(C)[C@@H](Cc1nccs1)[C@@H](C)Br by replacing a halo by carboxyl.,CC(C)[C@@H](Cc1nccs1)[C@@H](C)Br,halo,carboxyl
152824,Please replace a nitro in the molecule CC(C)N(CCCCl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 with aldehyde.,CC(C)N(CCCCl)c1nc2cc([N+](=O)[O-])ccc2[nH]1,nitro,aldehyde
217622,Modify the molecule CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)COc1ccc(F)cc1F by substituting a halo with nitro.,CC[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)COc1ccc(F)cc1F,halo,nitro
193885,Replace a nitrile in the molecule C[C@H]1Oc2ccc(NC(=O)c3cc(C#N)cs3)cc2NC1=O by halo.,C[C@H]1Oc2ccc(NC(=O)c3cc(C#N)cs3)cc2NC1=O,nitrile,halo
130999,Please replace a hydroxyl in the molecule O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccnc1 with halo.,O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccnc1,hydroxyl,halo
141029,Please substitute a halo in the molecule CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 by thiol.,CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21,halo,thiol
174755,Please replace a halo in the molecule N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(F)cc1 with thiol.,N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(F)cc1,halo,thiol
103736,Substitute a halo in the molecule Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@@H]1CCC[C@H](O)C1 with thiol.,Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@@H]1CCC[C@H](O)C1,halo,thiol
207887,Modify the molecule C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(-n2cccn2)cc1 by substituting a halo with nitro.,C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(-n2cccn2)cc1,halo,nitro
64680,Modify the molecule CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 by replacing a halo by nitro.,CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1,halo,nitro
221722,Substitute a halo in the molecule [NH3+]Cc1cn[nH]c1N1C(=O)c2cc(F)c(F)cc2C1=O with nitrile.,[NH3+]Cc1cn[nH]c1N1C(=O)c2cc(F)c(F)cc2C1=O,halo,nitrile
8012,Please replace a halo in the molecule Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1=CCCCO1 with nitro.,Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1=CCCCO1,halo,nitro
199434,Modify the molecule O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCCC1=c2ccccc2=[NH+]C1 by substituting a halo with thiol.,O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCCC1=c2ccccc2=[NH+]C1,halo,thiol
94681,Substitute a nitro in the molecule O=C1CCCCN1c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 with halo.,O=C1CCCCN1c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1,nitro,halo
25240,Modify the molecule O=C(C[NH2+]Cc1ccc(F)c(Br)c1)NC1CC1 by replacing a halo by aldehyde.,O=C(C[NH2+]Cc1ccc(F)c(Br)c1)NC1CC1,halo,aldehyde
177657,Modify the molecule CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 by substituting a halo with thiol.,CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1,halo,thiol
226031,Please substitute a nitrile in the molecule Cc1ccc(Cl)cc1NC(=O)NC[C@H](C)C#N by thiol.,Cc1ccc(Cl)cc1NC(=O)NC[C@H](C)C#N,nitrile,thiol
125043,Please replace a hydroxyl in the molecule Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C with halo.,Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C,hydroxyl,halo
175853,Please substitute a halo in the molecule CC1CCC([NH2+]Cc2c(C(=O)[O-])n(Cc3ccccc3F)c3ccccc23)CC1 by carboxyl.,CC1CCC([NH2+]Cc2c(C(=O)[O-])n(Cc3ccccc3F)c3ccccc23)CC1,halo,carboxyl
42569,Replace a halo in the molecule COc1cc(F)c([C@H](C)NC(=O)c2c(C)cc(C)cc2C)cc1OC by nitrile.,COc1cc(F)c([C@H](C)NC(=O)c2c(C)cc(C)cc2C)cc1OC,halo,nitrile
178374,Modify the molecule CCOc1ccc(N2CCc3c2nc2ccc(Br)cc2c3N)cc1 by replacing a halo by nitro.,CCOc1ccc(N2CCc3c2nc2ccc(Br)cc2c3N)cc1,halo,nitro
72359,Modify the molecule CCC[C@H]1NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O by substituting a halo with aldehyde.,CCC[C@H]1NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O,halo,aldehyde
203329,Please substitute a halo in the molecule Cc1cnn(-c2ccc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)cc2)c1 by nitro.,Cc1cnn(-c2ccc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)cc2)c1,halo,nitro
94513,Substitute a halo in the molecule CC(C)c1nn(C)cc1C[NH2+][C@@H]1CCSc2c(F)cccc21 with thiol.,CC(C)c1nn(C)cc1C[NH2+][C@@H]1CCSc2c(F)cccc21,halo,thiol
206853,Replace a halo in the molecule [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 by nitro.,[NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1,halo,nitro
186084,Please replace a halo in the molecule C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1OC(F)F with aldehyde.,C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1OC(F)F,halo,aldehyde
74708,Replace a halo in the molecule CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 by hydroxyl.,CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1,halo,hydroxyl
180591,Modify the molecule NC1=[NH+]C[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 by replacing a halo by thiol.,NC1=[NH+]C[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1,halo,thiol
36811,Substitute a halo in the molecule Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1Cc1ccccc1 with thiol.,Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1Cc1ccccc1,halo,thiol
163872,Please replace a halo in the molecule Cc1cc(F)cc(CN2C[C@@H](C[NH+]3CCC(CO)CC3)[C@@H](CO)C2)c1 with nitro.,Cc1cc(F)cc(CN2C[C@@H](C[NH+]3CCC(CO)CC3)[C@@H](CO)C2)c1,halo,nitro
210198,Modify the molecule Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(C1CC1)CO2 by substituting a halo with hydroxyl.,Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(C1CC1)CO2,halo,hydroxyl
125073,Please replace a hydroxyl in the molecule Cc1ccc(NC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 with thiol.,Cc1ccc(NC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1,hydroxyl,thiol
101476,Replace a halo in the molecule O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)Nc1nncs1 by nitro.,O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)Nc1nncs1,halo,nitro
188302,Please substitute a halo in the molecule CC[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 by aldehyde.,CC[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1,halo,aldehyde
19808,Replace a halo in the molecule NC(=O)Cn1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1=O by aldehyde.,NC(=O)Cn1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1=O,halo,aldehyde
219340,Substitute a halo in the molecule O=C(c1ccnc2ccccc12)N1CCN(c2ncccc2F)CC1 with nitrile.,O=C(c1ccnc2ccccc12)N1CCN(c2ncccc2F)CC1,halo,nitrile
49200,Please substitute a halo in the molecule COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 by aldehyde.,COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1,halo,aldehyde
78532,Replace a halo in the molecule Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F by thiol.,Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F,halo,thiol
139411,Replace a hydroxyl in the molecule C/C(C[NH+]1CCCCC1)=N\O by halo.,C/C(C[NH+]1CCCCC1)=N\O,hydroxyl,halo
137325,Substitute a halo in the molecule C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc(Cl)s1 with aldehyde.,C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc(Cl)s1,halo,aldehyde
18420,Modify the molecule O=C(c1ccc(F)c(F)c1)N1C[C@@H](C[NH+]2CCC(CO)CC2)[C@@H](CO)C1 by substituting a hydroxyl with thiol.,O=C(c1ccc(F)c(F)c1)N1C[C@@H](C[NH+]2CCC(CO)CC2)[C@@H](CO)C1,hydroxyl,thiol
171815,Substitute a hydroxyl in the molecule Cc1ccc(OCc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)cc1C with halo.,Cc1ccc(OCc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)cc1C,hydroxyl,halo
63484,Modify the molecule CC[C@H](NC(=O)C[NH+](CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 by substituting a halo with thiol.,CC[C@H](NC(=O)C[NH+](CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1,halo,thiol
202817,Substitute a halo in the molecule O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 with nitro.,O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1,halo,nitro
25355,Please substitute a halo in the molecule CC[C@H]1C(=O)NCC[NH+]1Cc1ccc(O)c(Cl)c1 by nitro.,CC[C@H]1C(=O)NCC[NH+]1Cc1ccc(O)c(Cl)c1,halo,nitro
88762,Please replace a nitrile in the molecule N#Cc1ncn(CC(=O)NCc2ccco2)n1 with hydroxyl.,N#Cc1ncn(CC(=O)NCc2ccco2)n1,nitrile,hydroxyl
48961,Replace a halo in the molecule CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cnn1-c1ccccn1 by aldehyde.,CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cnn1-c1ccccn1,halo,aldehyde
112196,Please substitute a halo in the molecule Cc1cc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(C)c1Cl by aldehyde.,Cc1cc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(C)c1Cl,halo,aldehyde
146576,Please substitute a hydroxyl in the molecule ON(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 by halo.,ON(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1,hydroxyl,halo
97350,Modify the molecule [NH3+]CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 by replacing a halo by carboxyl.,[NH3+]CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1,halo,carboxyl
93923,Please substitute a nitrile in the molecule C[C@H](CNC(=O)OC(C)(C)C)[NH+](C)Cc1ccc(C#N)o1 by aldehyde.,C[C@H](CNC(=O)OC(C)(C)C)[NH+](C)Cc1ccc(C#N)o1,nitrile,aldehyde
116087,Modify the molecule Cc1ncc(Cl)c(C(=O)NN)n1 by replacing a halo by thiol.,Cc1ncc(Cl)c(C(=O)NN)n1,halo,thiol
230419,Modify the molecule COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O by substituting a hydroxyl with halo.,COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O,hydroxyl,halo
20043,Replace a nitro in the molecule CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 by carboxyl.,CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12,nitro,carboxyl
174835,Modify the molecule COc1ccccc1Oc1ccc(NC(=O)N(C)CC[C@@H](C)O)cc1 by replacing a hydroxyl by nitrile.,COc1ccccc1Oc1ccc(NC(=O)N(C)CC[C@@H](C)O)cc1,hydroxyl,nitrile
19264,Please substitute a halo in the molecule CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2cc(Cl)ccc21 by nitro.,CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2cc(Cl)ccc21,halo,nitro
244470,Please substitute a hydroxyl in the molecule CC[C@@](C)(O)[C@@H](O)C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@H]12 by carboxyl.,CC[C@@](C)(O)[C@@H](O)C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@H]12,hydroxyl,carboxyl
77108,Modify the molecule CCOc1cc(C#N)ccc1OC(=O)Cn1ccccc1=O by replacing a nitrile by carboxyl.,CCOc1cc(C#N)ccc1OC(=O)Cn1ccccc1=O,nitrile,carboxyl
75286,Substitute a halo in the molecule CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CC1 with nitro.,CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CC1,halo,nitro
222479,Please replace a halo in the molecule COC(=O)NCCOC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl with hydroxyl.,COC(=O)NCCOC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl,halo,hydroxyl
176994,Modify the molecule CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 by replacing a nitro by halo.,CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12,nitro,halo
31589,Replace a hydroxyl in the molecule COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(OC)o3)C[C@@H]2C1 by thiol.,COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(OC)o3)C[C@@H]2C1,hydroxyl,thiol
211629,Please substitute a halo in the molecule Cc1cnc([C@H](C)NC(=O)NC[C@H](O)COc2ccc(F)cc2)s1 by hydroxyl.,Cc1cnc([C@H](C)NC(=O)NC[C@H](O)COc2ccc(F)cc2)s1,halo,hydroxyl
23748,Replace a halo in the molecule Cc1cc(S[C@H](C(N)=O)c2ccc(F)cc2)nc(C)n1 by nitro.,Cc1cc(S[C@H](C(N)=O)c2ccc(F)cc2)nc(C)n1,halo,nitro
160314,Substitute a halo in the molecule Nc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 with hydroxyl.,Nc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1,halo,hydroxyl
152768,Please substitute a halo in the molecule COc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1Br by carboxyl.,COc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1Br,halo,carboxyl
57572,Substitute a halo in the molecule CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)n2ncnc2N1 with thiol.,CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)n2ncnc2N1,halo,thiol
63092,Substitute a hydroxyl in the molecule CCCC[C@@H](C(=O)[O-])[C@@]1(O)CCC[C@H](CC)C1 with thiol.,CCCC[C@@H](C(=O)[O-])[C@@]1(O)CCC[C@H](CC)C1,hydroxyl,thiol
177195,Modify the molecule C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F by replacing a halo by carboxyl.,C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F,halo,carboxyl
103907,Please replace a nitrile in the molecule CCC1CCC(C#N)(NC(=O)[C@H]2CCO[C@H]2C)CC1 with thiol.,CCC1CCC(C#N)(NC(=O)[C@H]2CCO[C@H]2C)CC1,nitrile,thiol
92203,Please substitute a halo in the molecule Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccccc1C[NH+](C)C by carboxyl.,Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccccc1C[NH+](C)C,halo,carboxyl
164311,Modify the molecule CNC(=O)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)C(C)C by substituting a halo with nitro.,CNC(=O)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)C(C)C,halo,nitro
201776,Modify the molecule Cc1c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc(C#N)n1C by substituting a nitrile with halo.,Cc1c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc(C#N)n1C,nitrile,halo
22875,Please substitute a hydroxyl in the molecule O=C(N[C@H](CO)c1ccccc1F)[C@H]1COc2ccccc2O1 by carboxyl.,O=C(N[C@H](CO)c1ccccc1F)[C@H]1COc2ccccc2O1,hydroxyl,carboxyl
39211,Modify the molecule Cc1ccc(-n2cnnc2SC(C)C)cc1Cl by replacing a halo by carboxyl.,Cc1ccc(-n2cnnc2SC(C)C)cc1Cl,halo,carboxyl
215424,Modify the molecule Cc1ccc2c(NC(=O)c3cc(-c4ccccc4Cl)no3)n[nH]c2n1 by substituting a halo with aldehyde.,Cc1ccc2c(NC(=O)c3cc(-c4ccccc4Cl)no3)n[nH]c2n1,halo,aldehyde
93733,Modify the molecule O=C(C[NH+]1CCC[C@@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 by replacing a halo by hydroxyl.,O=C(C[NH+]1CCC[C@@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1,halo,hydroxyl
4942,Replace a halo in the molecule CC(C)[C@@H](CO)NC(=O)c1ccccc1C(F)(F)F by nitro.,CC(C)[C@@H](CO)NC(=O)c1ccccc1C(F)(F)F,halo,nitro
141320,Please replace a halo in the molecule CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F with aldehyde.,CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F,halo,aldehyde
124874,Please substitute a hydroxyl in the molecule CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O by thiol.,CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O,hydroxyl,thiol
83165,Modify the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1 by substituting a hydroxyl with thiol.,O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1,hydroxyl,thiol
196610,Replace a halo in the molecule O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 by thiol.,O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1,halo,thiol
100810,Replace a halo in the molecule Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2-c2ccc(F)cc2F)o1 by carboxyl.,Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2-c2ccc(F)cc2F)o1,halo,carboxyl
229710,Please replace a nitrile in the molecule Cn1cc(C#N)cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 with halo.,Cn1cc(C#N)cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21,nitrile,halo
47603,Modify the molecule CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1 by replacing a nitro by hydroxyl.,CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1,nitro,hydroxyl
226280,Modify the molecule C[C@@H]([NH2+][C@H](CO)c1ccccc1F)c1ccsc1 by replacing a halo by carboxyl.,C[C@@H]([NH2+][C@H](CO)c1ccccc1F)c1ccsc1,halo,carboxyl
104713,Please substitute a halo in the molecule Cc1ncc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c(=O)[nH]1 by nitrile.,Cc1ncc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c(=O)[nH]1,halo,nitrile
197504,Substitute a nitrile in the molecule CN[C@@]1(C#N)CCC[C@@H](Sc2nnnn2C2CCCC2)C1 with thiol.,CN[C@@]1(C#N)CCC[C@@H](Sc2nnnn2C2CCCC2)C1,nitrile,thiol
153931,Please replace a halo in the molecule C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] with nitrile.,C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-],halo,nitrile
197814,Please replace a halo in the molecule O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccnc1N1CCOCC1 with aldehyde.,O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccnc1N1CCOCC1,halo,aldehyde
61545,Please replace a halo in the molecule Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccccn2)c1N with hydroxyl.,Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccccn2)c1N,halo,hydroxyl
37048,Please substitute a halo in the molecule O=C(Nc1ccccc1F)c1c[nH]nc1-c1ccc(Cl)cc1 by aldehyde.,O=C(Nc1ccccc1F)c1c[nH]nc1-c1ccc(Cl)cc1,halo,aldehyde
81773,Modify the molecule COc1c(C)c[nH+]c(Cn2ncc(Cl)c(Cl)c2=O)c1C by replacing a halo by aldehyde.,COc1c(C)c[nH+]c(Cn2ncc(Cl)c(Cl)c2=O)c1C,halo,aldehyde
172262,Modify the molecule C[C@H]([NH2+]Cc1ccccn1)c1cccc(NC(=O)Cc2ccccc2F)c1 by substituting a halo with aldehyde.,C[C@H]([NH2+]Cc1ccccn1)c1cccc(NC(=O)Cc2ccccc2F)c1,halo,aldehyde
39097,Modify the molecule Fc1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccc1N1CCOCC1 by substituting a halo with aldehyde.,Fc1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccc1N1CCOCC1,halo,aldehyde
153147,Substitute a halo in the molecule C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C1CC1 with nitro.,C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C1CC1,halo,nitro
174452,Modify the molecule CC(=O)NCCSc1cc(Cl)ccc1N by replacing a halo by carboxyl.,CC(=O)NCCSc1cc(Cl)ccc1N,halo,carboxyl
8976,Please replace a halo in the molecule C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O with aldehyde.,C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O,halo,aldehyde
85240,Modify the molecule Cc1nn(C)c(Cl)c1CSc1ccc(N)cc1 by replacing a halo by nitrile.,Cc1nn(C)c(Cl)c1CSc1ccc(N)cc1,halo,nitrile
148962,Modify the molecule FC(F)c1nnc2ccc(N3CC[C@H](C[NH+]4CCCCC4)C3)nn12 by substituting a halo with carboxyl.,FC(F)c1nnc2ccc(N3CC[C@H](C[NH+]4CCCCC4)C3)nn12,halo,carboxyl
15604,Modify the molecule Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(F)(F)F by replacing a halo by thiol.,Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(F)(F)F,halo,thiol
111881,Please substitute a halo in the molecule Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O by nitro.,Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O,halo,nitro
100889,Please replace a halo in the molecule Cc1ccc(C2=NN=C(C(=O)N/N=C/c3ccccc3Cl)C2)s1 with nitro.,Cc1ccc(C2=NN=C(C(=O)N/N=C/c3ccccc3Cl)C2)s1,halo,nitro
57166,Please replace a halo in the molecule Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCO3)cnn1C(C)C with nitro.,Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCO3)cnn1C(C)C,halo,nitro
22084,Modify the molecule COc1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1 by substituting a hydroxyl with nitrile.,COc1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1,hydroxyl,nitrile
231077,Please replace a halo in the molecule Cc1noc(CCC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)n1 with aldehyde.,Cc1noc(CCC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)n1,halo,aldehyde
66771,Please replace a halo in the molecule O=C(NCc1ncccc1F)c1ncccc1C(F)(F)F with nitro.,O=C(NCc1ncccc1F)c1ncccc1C(F)(F)F,halo,nitro
184874,Modify the molecule CCOC[C@@H]1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)C1 by substituting a halo with carboxyl.,CCOC[C@@H]1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)C1,halo,carboxyl
72069,Substitute a halo in the molecule CC[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1C)c1ccccc1 with nitrile.,CC[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1C)c1ccccc1,halo,nitrile
179824,Please replace a halo in the molecule CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1 with carboxyl.,CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1,halo,carboxyl
48070,Please replace a halo in the molecule CCOc1c(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1OC with carboxyl.,CCOc1c(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1OC,halo,carboxyl
69687,Modify the molecule Cn1cc(-c2nc(C(=O)N(CCC#N)CCC#N)cs2)cn1 by substituting a nitrile with nitro.,Cn1cc(-c2nc(C(=O)N(CCC#N)CCC#N)cs2)cn1,nitrile,nitro
107290,Replace a halo in the molecule CC(=O)Nc1nc(C(=O)Oc2cccc(Br)c2)cs1 by hydroxyl.,CC(=O)Nc1nc(C(=O)Oc2cccc(Br)c2)cs1,halo,hydroxyl
172788,Please replace a nitro in the molecule O=[N+]([O-])c1c([O-])ncnc1Sc1ccc(Cl)cc1 with thiol.,O=[N+]([O-])c1c([O-])ncnc1Sc1ccc(Cl)cc1,nitro,thiol
33904,Modify the molecule O=C(c1ccc(F)cc1F)N(CC(F)(F)F)c1ccccn1 by replacing a halo by aldehyde.,O=C(c1ccc(F)cc1F)N(CC(F)(F)F)c1ccccn1,halo,aldehyde
170077,Modify the molecule CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1 by substituting a nitrile with hydroxyl.,CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1,nitrile,hydroxyl
217684,Please replace a halo in the molecule COC(=O)c1cccc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)c1 with nitro.,COC(=O)c1cccc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)c1,halo,nitro
111393,Substitute a halo in the molecule CC(=O)N1CC[C@@H](C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)C1 with nitro.,CC(=O)N1CC[C@@H](C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)C1,halo,nitro
93534,Please replace a hydroxyl in the molecule O=C(NC(CO)CO)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 with halo.,O=C(NC(CO)CO)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1,hydroxyl,halo
92110,Modify the molecule Cc1nc(C(=O)NCCOc2ccccc2)nn1-c1ccc(F)cc1 by substituting a halo with thiol.,Cc1nc(C(=O)NCCOc2ccccc2)nn1-c1ccc(F)cc1,halo,thiol
73829,Please substitute a halo in the molecule COc1ccncc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 by nitro.,COc1ccncc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1,halo,nitro
65070,Modify the molecule FC(F)(F)Oc1cc(Br)c2nc([S-])sc2c1 by substituting a halo with nitro.,FC(F)(F)Oc1cc(Br)c2nc([S-])sc2c1,halo,nitro
212457,Please replace a halo in the molecule CN[C@]1(C#N)CCC[C@H](n2cc(Cl)cn2)C1 with aldehyde.,CN[C@]1(C#N)CCC[C@H](n2cc(Cl)cn2)C1,halo,aldehyde
160265,Replace a hydroxyl in the molecule O=C(Cc1ccsc1)N1CCC[C@@H](O)C1 by thiol.,O=C(Cc1ccsc1)N1CCC[C@@H](O)C1,hydroxyl,thiol
34788,Substitute a halo in the molecule COc1cccc(OCC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 with thiol.,COc1cccc(OCC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1,halo,thiol
113515,Please substitute a halo in the molecule CCSCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 by thiol.,CCSCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1,halo,thiol
146878,Substitute a halo in the molecule Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SCc1cccnc1 with nitro.,Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SCc1cccnc1,halo,nitro
72776,Please replace a halo in the molecule [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Cl)s2)C1 with aldehyde.,[NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Cl)s2)C1,halo,aldehyde
10469,Substitute a hydroxyl in the molecule O=C(NCc1ccsc1)c1csc(C#CCO)c1 with nitro.,O=C(NCc1ccsc1)c1csc(C#CCO)c1,hydroxyl,nitro
167094,Substitute a nitrile in the molecule C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1 with thiol.,C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1,nitrile,thiol
51109,Modify the molecule Cc1ccc([N+](=O)[O-])c(NCCCn2cccn2)c1 by substituting a nitro with carboxyl.,Cc1ccc([N+](=O)[O-])c(NCCCn2cccn2)c1,nitro,carboxyl
191991,Modify the molecule COC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1 by replacing a halo by thiol.,COC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1,halo,thiol
52762,Modify the molecule CCOC(=O)C1=C(C)NC([S-])=C(C#N)[C@@H]1c1cccnc1 by substituting a nitrile with aldehyde.,CCOC(=O)C1=C(C)NC([S-])=C(C#N)[C@@H]1c1cccnc1,nitrile,aldehyde
121972,Please substitute a halo in the molecule CC[C@H](CSC)N(C)C(=O)Nc1c(F)cccc1F by hydroxyl.,CC[C@H](CSC)N(C)C(=O)Nc1c(F)cccc1F,halo,hydroxyl
241545,Substitute a halo in the molecule Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F with thiol.,Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F,halo,thiol
6254,Substitute a halo in the molecule CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1 with nitro.,CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1,halo,nitro
244050,Modify the molecule CCN1CC(=O)Nc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc21 by replacing a nitrile by halo.,CCN1CC(=O)Nc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc21,nitrile,halo
28845,Please replace a halo in the molecule CCCc1cc([C@@H]2CCCN2C(=O)c2c(Cl)cnn2CC)no1 with aldehyde.,CCCc1cc([C@@H]2CCCN2C(=O)c2c(Cl)cnn2CC)no1,halo,aldehyde
165302,Replace a halo in the molecule COc1cccc(C[S@](=O)Cc2c(C)nn(C)c2Cl)c1 by thiol.,COc1cccc(C[S@](=O)Cc2c(C)nn(C)c2Cl)c1,halo,thiol
183643,Replace a halo in the molecule COc1ccc(CNC(=O)CSc2ccccc2Cl)cc1OC by nitrile.,COc1ccc(CNC(=O)CSc2ccccc2Cl)cc1OC,halo,nitrile
55271,Please substitute a nitrile in the molecule Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C(C)C)CC2)c(C#N)c1C by thiol.,Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C(C)C)CC2)c(C#N)c1C,nitrile,thiol
109322,Modify the molecule C[C@H](CSCc1ccc(O)cc1)C(=O)[O-] by substituting a hydroxyl with thiol.,C[C@H](CSCc1ccc(O)cc1)C(=O)[O-],hydroxyl,thiol
102179,Replace a hydroxyl in the molecule COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2CO)ccc1O by carboxyl.,COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2CO)ccc1O,hydroxyl,carboxyl
110499,Please replace a hydroxyl in the molecule CCC[C@@H](O)CNC(=O)Nc1cccc(F)c1C with thiol.,CCC[C@@H](O)CNC(=O)Nc1cccc(F)c1C,hydroxyl,thiol
18031,Modify the molecule Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(Br)cc2cccnc12 by replacing a halo by hydroxyl.,Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(Br)cc2cccnc12,halo,hydroxyl
147422,Please substitute a halo in the molecule O=S1(=O)CC[C@@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1 by hydroxyl.,O=S1(=O)CC[C@@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1,halo,hydroxyl
167897,Please replace a halo in the molecule CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccsc2)nc1C with thiol.,CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccsc2)nc1C,halo,thiol
98178,Replace a halo in the molecule Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 by thiol.,Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1,halo,thiol
54072,Modify the molecule COc1ccc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(OC)c1 by replacing a halo by aldehyde.,COc1ccc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(OC)c1,halo,aldehyde
212342,Substitute a hydroxyl in the molecule Oc1ccc(C2CCCC2)nc1 with carboxyl.,Oc1ccc(C2CCCC2)nc1,hydroxyl,carboxyl
147316,Please replace a thiol in the molecule Cc1cnc(=O)n(C[C@H](CS)C(C)(C)C)c1 with aldehyde.,Cc1cnc(=O)n(C[C@H](CS)C(C)(C)C)c1,thiol,aldehyde
19683,Please substitute a halo in the molecule COc1ccc(F)cc1C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 by nitrile.,COc1ccc(F)cc1C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1,halo,nitrile
184754,Modify the molecule O=C(NCc1cc2ccccc2o1)c1ccccc1OC(F)F by replacing a halo by nitrile.,O=C(NCc1cc2ccccc2o1)c1ccccc1OC(F)F,halo,nitrile
110661,Please substitute a hydroxyl in the molecule C[C@@H](CCCO)[NH2+]C[C@@H]1COc2ccccc21 by carboxyl.,C[C@@H](CCCO)[NH2+]C[C@@H]1COc2ccccc21,hydroxyl,carboxyl
124017,Replace a hydroxyl in the molecule C[C@@H]1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1O by carboxyl.,C[C@@H]1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1O,hydroxyl,carboxyl
192373,Substitute a hydroxyl in the molecule C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)no1 with halo.,C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)no1,hydroxyl,halo
152671,Modify the molecule O=C(OCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 by replacing a halo by thiol.,O=C(OCC(=O)N1CCOCC1)c1ccc(F)c(F)c1,halo,thiol
185601,Please substitute a halo in the molecule CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)C(F)(F)F by carboxyl.,CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)C(F)(F)F,halo,carboxyl
39650,Replace a halo in the molecule COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1C(C)(C)C1(C)C by hydroxyl.,COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1C(C)(C)C1(C)C,halo,hydroxyl
188186,Please substitute a hydroxyl in the molecule C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H](C)CO by nitro.,C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H](C)CO,hydroxyl,nitro
53736,Please replace a nitro in the molecule O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1 with halo.,O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1,nitro,halo
226232,Please substitute a halo in the molecule CCn1nc(C)c(CNC(=O)Nc2cccc(Cl)c2-n2cccn2)c1C by hydroxyl.,CCn1nc(C)c(CNC(=O)Nc2cccc(Cl)c2-n2cccn2)c1C,halo,hydroxyl
141465,Substitute a halo in the molecule CC[C@@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 with hydroxyl.,CC[C@@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1,halo,hydroxyl
98445,Modify the molecule Fc1cc(F)cc(Oc2ncc(Cl)cc2F)c1 by replacing a halo by hydroxyl.,Fc1cc(F)cc(Oc2ncc(Cl)cc2F)c1,halo,hydroxyl
12126,Modify the molecule O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 by substituting a hydroxyl with halo.,O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1,hydroxyl,halo
217603,Please replace a halo in the molecule Cc1c(Br)ccc2nc(C3CCCCC3)c(N)n12 with nitro.,Cc1c(Br)ccc2nc(C3CCCCC3)c(N)n12,halo,nitro
130741,Please replace a halo in the molecule COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c(OC)c1 with nitrile.,COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c(OC)c1,halo,nitrile
86320,Substitute a nitrile in the molecule CCc1c(C#N)c(=O)[nH]c(=O)n1-c1ccccc1 with carboxyl.,CCc1c(C#N)c(=O)[nH]c(=O)n1-c1ccccc1,nitrile,carboxyl
143902,Modify the molecule Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(F)c1 by replacing a halo by carboxyl.,Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(F)c1,halo,carboxyl
153413,Please replace a halo in the molecule COC(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 with thiol.,COC(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1,halo,thiol
168909,Please substitute a halo in the molecule CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)s2)C1 by nitrile.,CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)s2)C1,halo,nitrile
76367,Please substitute a halo in the molecule COc1ccc(Br)cc1NC(=O)CC1([NH3+])CCC1 by carboxyl.,COc1ccc(Br)cc1NC(=O)CC1([NH3+])CCC1,halo,carboxyl
102763,Substitute a hydroxyl in the molecule OC[C@H]1CCC[C@@H]1Nc1cc(-n2ccnc2)ncn1 with halo.,OC[C@H]1CCC[C@@H]1Nc1cc(-n2ccnc2)ncn1,hydroxyl,halo
32234,Modify the molecule Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1 by replacing a nitrile by thiol.,Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1,nitrile,thiol
215017,Please substitute a halo in the molecule NC(=O)C1(NC(=O)c2cc(Br)c[nH]2)CCCC1 by nitrile.,NC(=O)C1(NC(=O)c2cc(Br)c[nH]2)CCCC1,halo,nitrile
237164,Modify the molecule COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2ccc(OC)c(Cl)c2)cc1 by replacing a halo by thiol.,COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2ccc(OC)c(Cl)c2)cc1,halo,thiol
112913,Modify the molecule Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1I by substituting a halo with nitro.,Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1I,halo,nitro
230901,Please replace a halo in the molecule O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 with nitrile.,O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,halo,nitrile
200600,Substitute a hydroxyl in the molecule CCC(CC)(NC(=O)Cc1c(F)cccc1F)/C(N)=N/O with aldehyde.,CCC(CC)(NC(=O)Cc1c(F)cccc1F)/C(N)=N/O,hydroxyl,aldehyde
53102,Substitute a halo in the molecule COc1ccc(N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1 with hydroxyl.,COc1ccc(N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1,halo,hydroxyl
231105,Substitute a hydroxyl in the molecule CC(C)COc1cncc(N[C@H](C)[C@H](C)CO)n1 with aldehyde.,CC(C)COc1cncc(N[C@H](C)[C@H](C)CO)n1,hydroxyl,aldehyde
47783,Please replace a nitro in the molecule Cc1ccc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] with thiol.,Cc1ccc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-],nitro,thiol
57804,Please replace a nitrile in the molecule CO[C@H](C)CC(=O)NCc1cccc(C#N)c1 with halo.,CO[C@H](C)CC(=O)NCc1cccc(C#N)c1,nitrile,halo
61217,Modify the molecule CC[C@H](C[NH2+]C)c1cccc(F)c1 by substituting a halo with thiol.,CC[C@H](C[NH2+]C)c1cccc(F)c1,halo,thiol
203809,Please replace a halo in the molecule C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc2c(c1)OCO2 with carboxyl.,C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc2c(c1)OCO2,halo,carboxyl
218876,Substitute a halo in the molecule CC(=O)c1cccc(-c2ccc(Cl)c(O)c2)c1 with thiol.,CC(=O)c1cccc(-c2ccc(Cl)c(O)c2)c1,halo,thiol
210911,Please replace a nitro in the molecule CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 with thiol.,CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12,nitro,thiol
201932,Modify the molecule O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F by replacing a halo by nitrile.,O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F,halo,nitrile
43678,Modify the molecule NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 by substituting a halo with nitrile.,NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1,halo,nitrile
32064,Please replace a halo in the molecule CC(C)C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 with aldehyde.,CC(C)C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1,halo,aldehyde
223462,Substitute a halo in the molecule CC(C)(C)c1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 with carboxyl.,CC(C)(C)c1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1,halo,carboxyl
20094,Please replace a halo in the molecule Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)n1C with aldehyde.,Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)n1C,halo,aldehyde
142232,Substitute a halo in the molecule CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 with nitro.,CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,halo,nitro
12576,Modify the molecule CC1(C)CCC[C@H]1NC(=O)c1ccc(C#CCO)cn1 by replacing a hydroxyl by carboxyl.,CC1(C)CCC[C@H]1NC(=O)c1ccc(C#CCO)cn1,hydroxyl,carboxyl
204025,Substitute a halo in the molecule CCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 with thiol.,CCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,halo,thiol
45742,Please replace a halo in the molecule C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1ccccc1Cl with hydroxyl.,C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1ccccc1Cl,halo,hydroxyl
87077,Replace a halo in the molecule O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 by aldehyde.,O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1,halo,aldehyde
172009,Modify the molecule C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1O by replacing a hydroxyl by nitro.,C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1O,hydroxyl,nitro
86100,Please replace a halo in the molecule Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2cc(C)ccc2F)cc1 with thiol.,Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2cc(C)ccc2F)cc1,halo,thiol
23971,Modify the molecule N#Cc1cc(N2CC[C@H](CN3CCOCC3)C2)c2ccccc2n1 by replacing a nitrile by thiol.,N#Cc1cc(N2CC[C@H](CN3CCOCC3)C2)c2ccccc2n1,nitrile,thiol
84050,Substitute a hydroxyl in the molecule O=C(CSCc1cc(-c2cccs2)on1)NCC1(O)CCOCC1 with aldehyde.,O=C(CSCc1cc(-c2cccs2)on1)NCC1(O)CCOCC1,hydroxyl,aldehyde
137172,Modify the molecule O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1 by substituting a halo with aldehyde.,O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1,halo,aldehyde
178011,Replace a halo in the molecule Nc1c(Nc2cccc(Br)c2)ncnc1N1CCCCC1 by thiol.,Nc1c(Nc2cccc(Br)c2)ncnc1N1CCCCC1,halo,thiol
161249,Substitute a halo in the molecule C#Cc1ccc(OC)c(F)c1 with thiol.,C#Cc1ccc(OC)c(F)c1,halo,thiol
63444,Substitute a nitrile in the molecule CN(C)c1ncc(CN2CCCN(c3ccccc3C#N)CC2)s1 with thiol.,CN(C)c1ncc(CN2CCCN(c3ccccc3C#N)CC2)s1,nitrile,thiol
201782,Modify the molecule CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 by replacing a halo by aldehyde.,CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1,halo,aldehyde
37720,Replace a halo in the molecule Fc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(F)c1F by hydroxyl.,Fc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(F)c1F,halo,hydroxyl
126470,Please substitute a hydroxyl in the molecule CCc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c[nH]1 by aldehyde.,CCc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c[nH]1,hydroxyl,aldehyde
77261,Modify the molecule Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 by substituting a halo with thiol.,Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1,halo,thiol
38884,Please substitute a halo in the molecule C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2OCC)cc1 by thiol.,C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2OCC)cc1,halo,thiol
134707,Replace a nitrile in the molecule Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 by aldehyde.,Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1,nitrile,aldehyde
213704,Substitute a hydroxyl in the molecule O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO with nitrile.,O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO,hydroxyl,nitrile
214136,Please substitute a hydroxyl in the molecule COc1ccc([C@H](NC(=O)NC[C@](C)(O)c2ccc(C)o2)C(C)C)cc1 by nitro.,COc1ccc([C@H](NC(=O)NC[C@](C)(O)c2ccc(C)o2)C(C)C)cc1,hydroxyl,nitro
94868,Please replace a hydroxyl in the molecule C[C@H](NC(=O)NCc1ccc(F)cc1)[C@H](O)c1ccc(Cl)cc1 with halo.,C[C@H](NC(=O)NCc1ccc(F)cc1)[C@H](O)c1ccc(Cl)cc1,hydroxyl,halo
41906,Substitute a nitrile in the molecule CC(C)Oc1cccc(C[NH+](C)Cc2ccc(C#N)o2)c1 with carboxyl.,CC(C)Oc1cccc(C[NH+](C)Cc2ccc(C#N)o2)c1,nitrile,carboxyl
209067,Substitute a nitro in the molecule O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1C(=O)[O-] with nitrile.,O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1C(=O)[O-],nitro,nitrile
64121,Please replace a halo in the molecule C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 with hydroxyl.,C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1,halo,hydroxyl
55931,Please replace a halo in the molecule Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1 with nitrile.,Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1,halo,nitrile
34499,Replace a halo in the molecule O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1 by aldehyde.,O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1,halo,aldehyde
177155,Substitute a hydroxyl in the molecule COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 with halo.,COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1,hydroxyl,halo
223463,Modify the molecule C#CCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cc(S(N)(=O)=O)ccc21 by substituting a halo with aldehyde.,C#CCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cc(S(N)(=O)=O)ccc21,halo,aldehyde
41390,Substitute a halo in the molecule CCc1ccc(O)c(NC(=O)c2ccncc2F)c1 with aldehyde.,CCc1ccc(O)c(NC(=O)c2ccncc2F)c1,halo,aldehyde
49524,Replace a nitrile in the molecule Cn1cc(C#N)cc1C(=O)Nc1ccccc1N1CCCCCC1 by halo.,Cn1cc(C#N)cc1C(=O)Nc1ccccc1N1CCCCCC1,nitrile,halo
11893,Substitute a halo in the molecule O=C(NCCSc1ccc(Br)cc1)c1cnccn1 with nitrile.,O=C(NCCSc1ccc(Br)cc1)c1cnccn1,halo,nitrile
248601,Substitute a halo in the molecule O=C(NCc1ccc(Cl)nc1)c1c[nH]nc1-c1ccccc1 with carboxyl.,O=C(NCc1ccc(Cl)nc1)c1c[nH]nc1-c1ccccc1,halo,carboxyl
69204,Modify the molecule O=C(c1ncccc1C(F)(F)F)N1CCC(c2nncn2C2CC2)CC1 by replacing a halo by thiol.,O=C(c1ncccc1C(F)(F)F)N1CCC(c2nncn2C2CC2)CC1,halo,thiol
64682,Substitute a nitrile in the molecule N#CCCn1cc(C[NH+]2CCC[C@@H](CC(N)=O)C2)c(-c2ccccc2)n1 with carboxyl.,N#CCCn1cc(C[NH+]2CCC[C@@H](CC(N)=O)C2)c(-c2ccccc2)n1,nitrile,carboxyl
85261,Replace a halo in the molecule CCc1sc(C(=O)N/N=C(/C)c2ccc(N3CCOCC3)c(F)c2)cc1C by hydroxyl.,CCc1sc(C(=O)N/N=C(/C)c2ccc(N3CCOCC3)c(F)c2)cc1C,halo,hydroxyl
232392,Modify the molecule Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 by replacing a halo by thiol.,Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1,halo,thiol
6540,Substitute a nitro in the molecule CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F with thiol.,CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F,nitro,thiol
64845,Please replace a halo in the molecule Fc1cccnc1NC[C@H]1CN2CCC[C@@H]2CO1 with aldehyde.,Fc1cccnc1NC[C@H]1CN2CCC[C@@H]2CO1,halo,aldehyde
162344,Substitute a halo in the molecule Oc1ccc(Br)c(CN2CCOC3(CCC3)C2)c1 with carboxyl.,Oc1ccc(Br)c(CN2CCOC3(CCC3)C2)c1,halo,carboxyl
39145,Modify the molecule CC(C)N(C(=O)[C@H](C)c1ccsc1)c1cccc(C#N)c1 by substituting a nitrile with hydroxyl.,CC(C)N(C(=O)[C@H](C)c1ccsc1)c1cccc(C#N)c1,nitrile,hydroxyl
235240,Please replace a halo in the molecule COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F with carboxyl.,COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F,halo,carboxyl
207480,Please replace a nitro in the molecule Cc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N(C)C with carboxyl.,Cc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N(C)C,nitro,carboxyl
47042,Modify the molecule COc1cccc(CN(C)C(=O)CNc2cccc(F)c2)c1OC by substituting a halo with hydroxyl.,COc1cccc(CN(C)C(=O)CNc2cccc(F)c2)c1OC,halo,hydroxyl
55889,Substitute a halo in the molecule Cc1nc2[nH]c(-c3ccc(Br)cc3)nc2cc1Br with carboxyl.,Cc1nc2[nH]c(-c3ccc(Br)cc3)nc2cc1Br,halo,carboxyl
170439,Modify the molecule Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1 by substituting a nitro with thiol.,Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1,nitro,thiol
115120,Modify the molecule CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 by replacing a halo by hydroxyl.,CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1,halo,hydroxyl
178550,Please substitute a nitrile in the molecule C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 by halo.,C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1,nitrile,halo
181728,Substitute a halo in the molecule COc1ccc(C[C@H]([NH3+])Cc2cc(F)ccc2F)cn1 with nitro.,COc1ccc(C[C@H]([NH3+])Cc2cc(F)ccc2F)cn1,halo,nitro
10589,Modify the molecule CO[C@@H](CNC(=O)CN(C)C(=O)c1ccccc1)c1cccc(Cl)c1 by replacing a halo by nitrile.,CO[C@@H](CNC(=O)CN(C)C(=O)c1ccccc1)c1cccc(Cl)c1,halo,nitrile
5812,Please replace a halo in the molecule COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 with thiol.,COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1,halo,thiol
35799,Modify the molecule COc1ccc(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc1F by replacing a halo by aldehyde.,COc1ccc(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc1F,halo,aldehyde
115376,Modify the molecule C[NH+]1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 by replacing a nitrile by thiol.,C[NH+]1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1,nitrile,thiol
141794,Substitute a halo in the molecule COCc1cc(=O)[nH]c(N2c3ccc(F)cc3CC[C@H]2C)n1 with carboxyl.,COCc1cc(=O)[nH]c(N2c3ccc(F)cc3CC[C@H]2C)n1,halo,carboxyl
197871,Modify the molecule C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N by replacing a halo by thiol.,C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N,halo,thiol
99800,Substitute a halo in the molecule O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CC2CCC2)C1 with nitro.,O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CC2CCC2)C1,halo,nitro
45905,Please substitute a hydroxyl in the molecule O[C@@H](CNCc1cccnc1)c1ccco1 by aldehyde.,O[C@@H](CNCc1cccnc1)c1ccco1,hydroxyl,aldehyde
218099,Modify the molecule O=S1(=O)C[C@@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)[C@@H](O)C1 by replacing a hydroxyl by halo.,O=S1(=O)C[C@@H](N2CCN(c3ncnc4c3oc3ccccc34)CC2)[C@@H](O)C1,hydroxyl,halo
217400,Modify the molecule CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(C)=O)c(F)cc1F by substituting a halo with hydroxyl.,CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(C)=O)c(F)cc1F,halo,hydroxyl
162107,Please replace a hydroxyl in the molecule CC[C@@H](CO)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 with nitrile.,CC[C@@H](CO)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1,hydroxyl,nitrile
178056,Substitute a hydroxyl in the molecule Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1 with thiol.,Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1,hydroxyl,thiol
76618,Please substitute a halo in the molecule O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2ccco2)c1 by aldehyde.,O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2ccco2)c1,halo,aldehyde
188282,Please replace a halo in the molecule COC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C with aldehyde.,COC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C,halo,aldehyde
212481,Substitute a halo in the molecule CSc1ccnc(-c2nc([O-])c3cc(F)c(F)cc3n2)c1 with carboxyl.,CSc1ccnc(-c2nc([O-])c3cc(F)c(F)cc3n2)c1,halo,carboxyl
44581,Substitute a halo in the molecule Cc1ccccc1CNC(=O)c1cnn2cc(Br)cnc12 with thiol.,Cc1ccccc1CNC(=O)c1cnn2cc(Br)cnc12,halo,thiol
33438,Substitute a halo in the molecule CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl with thiol.,CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl,halo,thiol
142658,Substitute a hydroxyl in the molecule O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)c1c(O)cccc1O with halo.,O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)c1c(O)cccc1O,hydroxyl,halo
97687,Substitute a nitrile in the molecule CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F with carboxyl.,CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F,nitrile,carboxyl
134854,Please substitute a halo in the molecule C[C@@H]1OCC[C@H]1[C@H](Br)Cc1ccccc1[N+](=O)[O-] by carboxyl.,C[C@@H]1OCC[C@H]1[C@H](Br)Cc1ccccc1[N+](=O)[O-],halo,carboxyl
153810,Please substitute a hydroxyl in the molecule Cc1ccc(C(=O)Nc2nc([C@@H](C)O)cs2)c(F)c1 by aldehyde.,Cc1ccc(C(=O)Nc2nc([C@@H](C)O)cs2)c(F)c1,hydroxyl,aldehyde
156289,Substitute a halo in the molecule CN(C)N(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 with nitro.,CN(C)N(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1,halo,nitro
77645,Modify the molecule CCS(=O)(=O)CCN(C)C(=O)CCc1cccc(F)c1 by substituting a halo with hydroxyl.,CCS(=O)(=O)CCN(C)C(=O)CCc1cccc(F)c1,halo,hydroxyl
183872,Substitute a halo in the molecule Clc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1 with carboxyl.,Clc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1,halo,carboxyl
211594,Modify the molecule C=C(C)CSc1nc2cc(Cl)ccc2o1 by replacing a halo by nitrile.,C=C(C)CSc1nc2cc(Cl)ccc2o1,halo,nitrile
229288,Substitute a halo in the molecule Cc1csc([C@@H]2CCCN(Cc3cc4cnn(C(C)C)c4nc3Cl)C2)n1 with nitro.,Cc1csc([C@@H]2CCCN(Cc3cc4cnn(C(C)C)c4nc3Cl)C2)n1,halo,nitro
209444,Modify the molecule Clc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)s1 by substituting a halo with carboxyl.,Clc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)s1,halo,carboxyl
210702,Replace a halo in the molecule CC(C)n1ccc(Cn2cc(C(=O)[O-])cc2Br)n1 by hydroxyl.,CC(C)n1ccc(Cn2cc(C(=O)[O-])cc2Br)n1,halo,hydroxyl
231430,Modify the molecule O=C(Nc1ccc(F)c(F)c1)C1(c2cc(-c3cccs3)on2)CC1 by substituting a halo with thiol.,O=C(Nc1ccc(F)c(F)c1)C1(c2cc(-c3cccs3)on2)CC1,halo,thiol
119265,Substitute a halo in the molecule CC(=O)Nc1cc(NCc2c(C)nn(C)c2Cl)ccc1C with nitro.,CC(=O)Nc1cc(NCc2c(C)nn(C)c2Cl)ccc1C,halo,nitro
105234,Modify the molecule O=C(NCCc1ccc(O)cc1)c1ccccn1 by substituting a hydroxyl with halo.,O=C(NCCc1ccc(O)cc1)c1ccccn1,hydroxyl,halo
87906,Modify the molecule CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C by substituting a hydroxyl with aldehyde.,CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C,hydroxyl,aldehyde
244298,Substitute a halo in the molecule O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccc2c(c1)OCO2 with aldehyde.,O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccc2c(c1)OCO2,halo,aldehyde
195710,Modify the molecule CC1(C)CCCN1C(=O)Nc1ccc(F)c(C#N)c1 by substituting a halo with aldehyde.,CC1(C)CCCN1C(=O)Nc1ccc(F)c(C#N)c1,halo,aldehyde
145049,Modify the molecule CC(C)[C@H](CO)[NH2+]Cc1ccc(-n2ccnc2)cc1 by substituting a hydroxyl with aldehyde.,CC(C)[C@H](CO)[NH2+]Cc1ccc(-n2ccnc2)cc1,hydroxyl,aldehyde
28760,Please substitute a halo in the molecule C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cccc(F)c21 by carboxyl.,C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cccc(F)c21,halo,carboxyl
95424,Modify the molecule O=C(NCC(=O)N1CCc2ccccc2C1)NC1(c2ccccc2F)CC1 by substituting a halo with aldehyde.,O=C(NCC(=O)N1CCc2ccccc2C1)NC1(c2ccccc2F)CC1,halo,aldehyde
93975,Modify the molecule Cc1c(NC(=O)C[NH+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C by replacing a halo by thiol.,Cc1c(NC(=O)C[NH+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C,halo,thiol
96088,Replace a hydroxyl in the molecule CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1/[NH+]=C/c1cccc(OC)c1O by nitrile.,CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1/[NH+]=C/c1cccc(OC)c1O,hydroxyl,nitrile
198730,Please substitute a halo in the molecule Cc1[nH]c2ccccc2c1CC(=O)N1CCC(OCc2ccccc2F)CC1 by hydroxyl.,Cc1[nH]c2ccccc2c1CC(=O)N1CCC(OCc2ccccc2F)CC1,halo,hydroxyl
11972,Modify the molecule O=C(NC(CO)CO)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 by substituting a halo with carboxyl.,O=C(NC(CO)CO)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,halo,carboxyl
205373,Substitute a halo in the molecule CC(C)Sc1nnc(NC(=O)c2ccccc2F)s1 with nitro.,CC(C)Sc1nnc(NC(=O)c2ccccc2F)s1,halo,nitro
22136,Replace a halo in the molecule Cc1cccc(-c2cnc(Br)nc2)c1 by aldehyde.,Cc1cccc(-c2cnc(Br)nc2)c1,halo,aldehyde
38551,Replace a hydroxyl in the molecule O=C(NC[C@@H](O)c1ccc(Cl)s1)C(=O)NC1CC1 by nitrile.,O=C(NC[C@@H](O)c1ccc(Cl)s1)C(=O)NC1CC1,hydroxyl,nitrile
187652,Modify the molecule COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)cc2F)c1C by substituting a halo with aldehyde.,COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)cc2F)c1C,halo,aldehyde
213370,Replace a hydroxyl in the molecule COc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)ccc1O by thiol.,COc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)ccc1O,hydroxyl,thiol
152899,Modify the molecule Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 by substituting a halo with nitrile.,Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1,halo,nitrile
97590,Please substitute a nitrile in the molecule Cn1cc(C#N)cc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 by thiol.,Cn1cc(C#N)cc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1,nitrile,thiol
232701,Please substitute a hydroxyl in the molecule O=C1NC2=C(C(=O)N(CCO)C2)[C@H](c2ccccc2F)N1 by carboxyl.,O=C1NC2=C(C(=O)N(CCO)C2)[C@H](c2ccccc2F)N1,hydroxyl,carboxyl
140484,Replace a halo in the molecule CCCC(=[NH2+])Nc1cc(OC)ccc1F by aldehyde.,CCCC(=[NH2+])Nc1cc(OC)ccc1F,halo,aldehyde
44584,Modify the molecule O=C(NCc1ccc(=O)[nH]c1)c1ccc(F)c(Br)c1 by substituting a halo with aldehyde.,O=C(NCc1ccc(=O)[nH]c1)c1ccc(F)c(Br)c1,halo,aldehyde
102778,Replace a nitro in the molecule Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNC(=O)C1CCC1 by nitrile.,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNC(=O)C1CCC1,nitro,nitrile
118638,Substitute a halo in the molecule COC[C@@H](Nc1nc(Br)cs1)C(C)C with aldehyde.,COC[C@@H](Nc1nc(Br)cs1)C(C)C,halo,aldehyde
189117,Please substitute a nitrile in the molecule CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1O by nitro.,CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1O,nitrile,nitro
14016,Please replace a halo in the molecule CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1OC(F)F with carboxyl.,CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1OC(F)F,halo,carboxyl
217672,Please replace a hydroxyl in the molecule COc1ccc2c(c1)[C@H](O)[C@H](N1CCOCC1(C)C)CC2 with halo.,COc1ccc2c(c1)[C@H](O)[C@H](N1CCOCC1(C)C)CC2,hydroxyl,halo
241345,Substitute a halo in the molecule Cc1cc(F)c(-c2ccc(F)c(C(=O)[O-])c2)cc1F with carboxyl.,Cc1cc(F)c(-c2ccc(F)c(C(=O)[O-])c2)cc1F,halo,carboxyl
241052,Modify the molecule CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO by replacing a halo by thiol.,CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO,halo,thiol
42427,Substitute a nitrile in the molecule Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 with hydroxyl.,Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1,nitrile,hydroxyl
173986,Substitute a halo in the molecule C[C@]1([C@H]([NH3+])c2c(F)cc(F)cc2F)CCCO1 with thiol.,C[C@]1([C@H]([NH3+])c2c(F)cc(F)cc2F)CCCO1,halo,thiol
26149,Replace a nitro in the molecule C[C@H]1CCC[NH+](C/C([O-])=N/c2nc3ccc([N+](=O)[O-])cc3s2)C1 by thiol.,C[C@H]1CCC[NH+](C/C([O-])=N/c2nc3ccc([N+](=O)[O-])cc3s2)C1,nitro,thiol
220648,Modify the molecule CCC(=O)N[C@@H]1CCC[NH+](Cc2c(Cl)cccc2OC)C1 by replacing a halo by nitro.,CCC(=O)N[C@@H]1CCC[NH+](Cc2c(Cl)cccc2OC)C1,halo,nitro
38115,Please replace a halo in the molecule O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)ccc2Cl)C1 with nitro.,O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)ccc2Cl)C1,halo,nitro
2491,Modify the molecule CC[C@H](c1ccccc1)[S@](=O)CC(=O)Nc1cccc(C#N)c1 by replacing a nitrile by halo.,CC[C@H](c1ccccc1)[S@](=O)CC(=O)Nc1cccc(C#N)c1,nitrile,halo
3879,Please substitute a hydroxyl in the molecule CC[C@H](C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1)c1ccccc1 by nitro.,CC[C@H](C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1)c1ccccc1,hydroxyl,nitro
96510,Modify the molecule Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C by substituting a halo with thiol.,Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C,halo,thiol
197160,Replace a nitro in the molecule O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1 by hydroxyl.,O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1,nitro,hydroxyl
190149,Replace a hydroxyl in the molecule Cc1nc(C[C@@]2(O)CCCOC2)sc1C by nitro.,Cc1nc(C[C@@]2(O)CCCOC2)sc1C,hydroxyl,nitro
38935,Modify the molecule COc1ccccc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 by replacing a hydroxyl by carboxyl.,COc1ccccc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1,hydroxyl,carboxyl
158553,Please substitute a nitro in the molecule CC[S@@](=O)[C@@H]1CCCC[C@@H]1/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-] by hydroxyl.,CC[S@@](=O)[C@@H]1CCCC[C@@H]1/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-],nitro,hydroxyl
108813,Please replace a halo in the molecule COc1ccccc1OCCNc1cc(Cl)cc(Cl)c1 with aldehyde.,COc1ccccc1OCCNc1cc(Cl)cc(Cl)c1,halo,aldehyde
227256,Modify the molecule C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1sccc1Br by replacing a halo by hydroxyl.,C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1sccc1Br,halo,hydroxyl
137685,Please replace a halo in the molecule CC[C@@H](OC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1 with nitrile.,CC[C@@H](OC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1,halo,nitrile
186038,Replace a halo in the molecule CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O by nitrile.,CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O,halo,nitrile
113965,Replace a halo in the molecule C[C@H]1NN[C@H](NC(=O)CC2=c3ccc(Cl)cc3=[NH+]C2)S1 by nitrile.,C[C@H]1NN[C@H](NC(=O)CC2=c3ccc(Cl)cc3=[NH+]C2)S1,halo,nitrile
195700,Modify the molecule CCOC(=O)C1(C)CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 by replacing a halo by hydroxyl.,CCOC(=O)C1(C)CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1,halo,hydroxyl
180826,Modify the molecule C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC/N=C(\O)c1ncccc1O by replacing a halo by nitro.,C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC/N=C(\O)c1ncccc1O,halo,nitro
242891,Substitute a hydroxyl in the molecule Cc1ccc(-c2cccc(C(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)c2)o1 with thiol.,Cc1ccc(-c2cccc(C(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)c2)o1,hydroxyl,thiol
143695,Modify the molecule COc1cc(Cl)c(C(=O)/C=C/c2cccc(OC)c2OC)cc1OC by substituting a halo with nitro.,COc1cc(Cl)c(C(=O)/C=C/c2cccc(OC)c2OC)cc1OC,halo,nitro
95735,Please substitute a nitrile in the molecule COc1ccc(/C=C(\C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1C by carboxyl.,COc1ccc(/C=C(\C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1C,nitrile,carboxyl
3953,Modify the molecule Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)no1 by replacing a halo by thiol.,Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)no1,halo,thiol
151959,Modify the molecule O=C(NCCOc1ccccc1F)c1n[nH]c2c1CCC2 by substituting a halo with nitro.,O=C(NCCOc1ccccc1F)c1n[nH]c2c1CCC2,halo,nitro
68694,Substitute a halo in the molecule C[C@H](Nc1cnn(C)c(=O)c1Cl)c1ccc2c(c1)NC(=O)CO2 with hydroxyl.,C[C@H](Nc1cnn(C)c(=O)c1Cl)c1ccc2c(c1)NC(=O)CO2,halo,hydroxyl
1702,Modify the molecule CC(C)(C#N)CCN1CCOCC1=O by replacing a nitrile by thiol.,CC(C)(C#N)CCN1CCOCC1=O,nitrile,thiol
192575,Please replace a halo in the molecule CC(C)(C)c1csc(C[C@H]2CC[C@H](Br)C2)n1 with thiol.,CC(C)(C)c1csc(C[C@H]2CC[C@H](Br)C2)n1,halo,thiol
227264,Replace a halo in the molecule CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cnccn1 by nitro.,CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cnccn1,halo,nitro
241820,Replace a hydroxyl in the molecule CC1CCC(NC(=O)[C@H](C)Sc2ccc(O)cc2)CC1 by nitrile.,CC1CCC(NC(=O)[C@H](C)Sc2ccc(O)cc2)CC1,hydroxyl,nitrile
5480,Modify the molecule O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 by substituting a halo with nitro.,O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2,halo,nitro
231272,Substitute a halo in the molecule CCN(CC)C(=O)CN1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 with carboxyl.,CCN(CC)C(=O)CN1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1,halo,carboxyl
14930,Please replace a halo in the molecule Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 with carboxyl.,Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1,halo,carboxyl
150755,Substitute a nitro in the molecule COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1 with hydroxyl.,COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1,nitro,hydroxyl
160447,Substitute a halo in the molecule CCOC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c1CC[NH+](C)C2 with hydroxyl.,CCOC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c1CC[NH+](C)C2,halo,hydroxyl
215845,Modify the molecule N#Cc1c(NC(=O)CN2CCOC[C@H]2C#N)sc2c1CCCCC2 by replacing a nitrile by hydroxyl.,N#Cc1c(NC(=O)CN2CCOC[C@H]2C#N)sc2c1CCCCC2,nitrile,hydroxyl
59273,Substitute a halo in the molecule O=C(NCc1cccc(C(F)(F)F)c1)c1nc(N2CCCC2)ncc1Cl with hydroxyl.,O=C(NCc1cccc(C(F)(F)F)c1)c1nc(N2CCCC2)ncc1Cl,halo,hydroxyl
35442,Please replace a hydroxyl in the molecule COc1cc(C(C)(C)CC(C)(C)C)cc(C[NH+](C)C)c1O with nitrile.,COc1cc(C(C)(C)CC(C)(C)C)cc(C[NH+](C)C)c1O,hydroxyl,nitrile
88831,Substitute a nitro in the molecule COc1ccc([N+](=O)[O-])cc1C(N)=[NH2+] with halo.,COc1ccc([N+](=O)[O-])cc1C(N)=[NH2+],nitro,halo
185349,Please replace a nitro in the molecule COC(=O)c1occc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 with halo.,COC(=O)c1occc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1,nitro,halo
105862,Please substitute a halo in the molecule Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-n1cccc1 by nitro.,Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-n1cccc1,halo,nitro
54859,Please substitute a nitrile in the molecule Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 by thiol.,Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1,nitrile,thiol
103106,Modify the molecule O[C@H]1CCC[C@H]1CNc1nc(Cl)ncc1F by substituting a halo with thiol.,O[C@H]1CCC[C@H]1CNc1nc(Cl)ncc1F,halo,thiol
155477,Substitute a halo in the molecule CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 with aldehyde.,CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1,halo,aldehyde
163593,Please replace a halo in the molecule O=C(OCC1CCN(CC(F)(F)F)CC1)C1CCN(C(=O)C2CC2)CC1 with nitrile.,O=C(OCC1CCN(CC(F)(F)F)CC1)C1CCN(C(=O)C2CC2)CC1,halo,nitrile
49525,Modify the molecule COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1 by substituting a halo with thiol.,COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1,halo,thiol
207708,Please substitute a halo in the molecule O=C(/C=C(/NNC(=O)c1cccc(Br)c1)c1ccccc1)c1ccccc1 by aldehyde.,O=C(/C=C(/NNC(=O)c1cccc(Br)c1)c1ccccc1)c1ccccc1,halo,aldehyde
198109,Modify the molecule CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)CC(F)(F)F by substituting a halo with aldehyde.,CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)CC(F)(F)F,halo,aldehyde
18050,Please replace a halo in the molecule Cc1cc([C@H](N)c2cc(C)c(Br)s2)sc1C with hydroxyl.,Cc1cc([C@H](N)c2cc(C)c(Br)s2)sc1C,halo,hydroxyl
215945,Modify the molecule O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccc1Cl by replacing a halo by nitro.,O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccc1Cl,halo,nitro
173731,Replace a halo in the molecule Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 by hydroxyl.,Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1,halo,hydroxyl
55248,Please substitute a halo in the molecule CCOc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21 by nitrile.,CCOc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21,halo,nitrile
102451,Please replace a halo in the molecule C[C@H]1C[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 with carboxyl.,C[C@H]1C[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1,halo,carboxyl
179964,Modify the molecule CC[C@H](CSC)N(C)C(=O)Nc1cc(Br)ccc1C by replacing a halo by carboxyl.,CC[C@H](CSC)N(C)C(=O)Nc1cc(Br)ccc1C,halo,carboxyl
102788,Substitute a halo in the molecule O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccccc2Cl)CC1 with thiol.,O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccccc2Cl)CC1,halo,thiol
217956,Replace a halo in the molecule C[C@H](CO)CS[C@H](C)C(=O)c1ccc(F)cc1F by aldehyde.,C[C@H](CO)CS[C@H](C)C(=O)c1ccc(F)cc1F,halo,aldehyde
93903,Modify the molecule O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc(Cl)c1 by substituting a halo with nitro.,O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc(Cl)c1,halo,nitro
167375,Replace a nitrile in the molecule CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)c(C#N)c1=O by hydroxyl.,CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)c(C#N)c1=O,nitrile,hydroxyl
91054,Please replace a halo in the molecule N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 with nitrile.,N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1,halo,nitrile
55704,Replace a halo in the molecule Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1Br by carboxyl.,Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1Br,halo,carboxyl
235377,Replace a nitro in the molecule Nc1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(F)cc1[N+](=O)[O-] by hydroxyl.,Nc1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(F)cc1[N+](=O)[O-],nitro,hydroxyl
136177,Replace a halo in the molecule CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)ccc1F by nitro.,CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)ccc1F,halo,nitro
41788,Please replace a halo in the molecule COc1ccc(-c2cc(C(=O)NNC=C3C(=O)Nc4ccc(Br)cc43)[nH]n2)cc1 with hydroxyl.,COc1ccc(-c2cc(C(=O)NNC=C3C(=O)Nc4ccc(Br)cc43)[nH]n2)cc1,halo,hydroxyl
3927,Please substitute a halo in the molecule Cc1c(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)nn1C by aldehyde.,Cc1c(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)nn1C,halo,aldehyde
80262,Please substitute a nitrile in the molecule COc1cccc(OCc2nc(C#N)c(NC[C@@H]3CCCO3)o2)c1 by nitro.,COc1cccc(OCc2nc(C#N)c(NC[C@@H]3CCCO3)o2)c1,nitrile,nitro
224441,Modify the molecule O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1O by replacing a halo by hydroxyl.,O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1O,halo,hydroxyl
83109,Please replace a halo in the molecule Cc1cc(CNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)ccc1F with aldehyde.,Cc1cc(CNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)ccc1F,halo,aldehyde
18274,Replace a hydroxyl in the molecule Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(CC(=O)N(C)C(C)C)CC2)c1 by nitro.,Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(CC(=O)N(C)C(C)C)CC2)c1,hydroxyl,nitro
17638,Modify the molecule CSC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 by replacing a halo by nitro.,CSC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1,halo,nitro
49294,Please replace a halo in the molecule COc1cc(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O with hydroxyl.,COc1cc(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O,halo,hydroxyl
56968,Modify the molecule Cc1ccc([C@@H](C)NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1 by replacing a halo by aldehyde.,Cc1ccc([C@@H](C)NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1,halo,aldehyde
64060,Please replace a nitrile in the molecule N#Cc1ccsc1NC(=O)Cn1cc(-c2ccccc2)cn1 with thiol.,N#Cc1ccsc1NC(=O)Cn1cc(-c2ccccc2)cn1,nitrile,thiol
21960,Substitute a hydroxyl in the molecule CC(C)c1nc2cccnc2n1C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 with nitro.,CC(C)c1nc2cccnc2n1C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1,hydroxyl,nitro
233790,Modify the molecule CC[C@@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F by replacing a nitro by hydroxyl.,CC[C@@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F,nitro,hydroxyl
33051,Modify the molecule C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)Nc1cccnc1Cl by replacing a halo by hydroxyl.,C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)Nc1cccnc1Cl,halo,hydroxyl
87715,Substitute a halo in the molecule Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c(Cl)c1 with nitro.,Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c(Cl)c1,halo,nitro
12917,Modify the molecule Cc1ccc(-c2csc3nc(Cn4cc(C(F)(F)F)ccc4=O)[nH]c(=O)c23)s1 by replacing a halo by hydroxyl.,Cc1ccc(-c2csc3nc(Cn4cc(C(F)(F)F)ccc4=O)[nH]c(=O)c23)s1,halo,hydroxyl
156557,Substitute a hydroxyl in the molecule OCCC[NH+](C1CCSCC1)C(c1ccccc1)c1ccccc1 with halo.,OCCC[NH+](C1CCSCC1)C(c1ccccc1)c1ccccc1,hydroxyl,halo
173357,Please replace a hydroxyl in the molecule CCC(CC)(CNC(=O)N[C@@H]1CCC[C@]1(C)CO)S(C)(=O)=O with aldehyde.,CCC(CC)(CNC(=O)N[C@@H]1CCC[C@]1(C)CO)S(C)(=O)=O,hydroxyl,aldehyde
147620,Please replace a halo in the molecule Cc1cccc([C@@H](C)S(=O)(=O)c2ccc(Cl)cc2)c1 with nitrile.,Cc1cccc([C@@H](C)S(=O)(=O)c2ccc(Cl)cc2)c1,halo,nitrile
188858,Please replace a nitrile in the molecule N#CC(C#N)=CNC1CC[NH+](Cc2ccccc2)CC1 with carboxyl.,N#CC(C#N)=CNC1CC[NH+](Cc2ccccc2)CC1,nitrile,carboxyl
176013,Please substitute a halo in the molecule COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 by aldehyde.,COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1,halo,aldehyde
197298,Modify the molecule CN1C(=O)C(=Cc2cc(Br)ccc2OCC#N)C(=O)N(C)C1=S by replacing a halo by hydroxyl.,CN1C(=O)C(=Cc2cc(Br)ccc2OCC#N)C(=O)N(C)C1=S,halo,hydroxyl
91742,Modify the molecule Cn1c(C(=O)Nc2cccnc2Cl)cc(Cl)c1Cl by substituting a halo with carboxyl.,Cn1c(C(=O)Nc2cccnc2Cl)cc(Cl)c1Cl,halo,carboxyl
240613,Modify the molecule OC[C@@H](O)[C@@H](O)/C=N/N(Cc1ccccc1)c1ccccc1 by replacing a hydroxyl by thiol.,OC[C@@H](O)[C@@H](O)/C=N/N(Cc1ccccc1)c1ccccc1,hydroxyl,thiol
110294,Replace a hydroxyl in the molecule Cc1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c(Cl)n1 by thiol.,Cc1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c(Cl)n1,hydroxyl,thiol
126459,Substitute a halo in the molecule CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 with nitrile.,CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1,halo,nitrile
124197,Please replace a nitro in the molecule O=C(/C=C/c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 with halo.,O=C(/C=C/c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1,nitro,halo
76949,Please replace a halo in the molecule COc1ccc(N2CCN(Cn3cc[nH]c3=S)CC2)cc1F with carboxyl.,COc1ccc(N2CCN(Cn3cc[nH]c3=S)CC2)cc1F,halo,carboxyl
80374,Modify the molecule CC(=O)Nc1cc(NC(=O)C(=O)NC(C)C)ccc1Cl by replacing a halo by nitro.,CC(=O)Nc1cc(NC(=O)C(=O)NC(C)C)ccc1Cl,halo,nitro
133690,Modify the molecule C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[C@H]1O by substituting a hydroxyl with thiol.,C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[C@H]1O,hydroxyl,thiol
243504,Replace a halo in the molecule CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1 by aldehyde.,CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1,halo,aldehyde
140556,Substitute a nitro in the molecule COc1cc(CN(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC with carboxyl.,COc1cc(CN(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC,nitro,carboxyl
174680,Please replace a halo in the molecule CN(C)C(=O)c1ccc(Oc2cc(F)c(N)cc2F)nc1 with thiol.,CN(C)C(=O)c1ccc(Oc2cc(F)c(N)cc2F)nc1,halo,thiol
234971,Substitute a halo in the molecule Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 with nitro.,Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1,halo,nitro
214896,Substitute a halo in the molecule COCc1cc(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)ncn1 with thiol.,COCc1cc(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)ncn1,halo,thiol
112413,Modify the molecule OCC[C@H]1CCC[NH+](Cc2cccn2Cc2cccs2)C1 by substituting a hydroxyl with carboxyl.,OCC[C@H]1CCC[NH+](Cc2cccn2Cc2cccs2)C1,hydroxyl,carboxyl
105447,Please substitute a halo in the molecule CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1F by aldehyde.,CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1F,halo,aldehyde
240916,Please substitute a hydroxyl in the molecule C[NH+](Cc1ccno1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O by halo.,C[NH+](Cc1ccno1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O,hydroxyl,halo
92760,Modify the molecule C[NH+]1CCC[C@@H](Cc2cccc(Br)n2)CC1 by replacing a halo by aldehyde.,C[NH+]1CCC[C@@H](Cc2cccc(Br)n2)CC1,halo,aldehyde
167742,Modify the molecule Oc1ccc(C[NH+]2CCCC[C@@H]2c2nnc3n2CCCC3)c(O)c1 by substituting a hydroxyl with aldehyde.,Oc1ccc(C[NH+]2CCCC[C@@H]2c2nnc3n2CCCC3)c(O)c1,hydroxyl,aldehyde
216391,Please substitute a hydroxyl in the molecule C[C@H]1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C[C@H]1O by aldehyde.,C[C@H]1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C[C@H]1O,hydroxyl,aldehyde
202375,Modify the molecule COc1cccc(-c2nc(CN3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)cs2)c1 by substituting a halo with nitro.,COc1cccc(-c2nc(CN3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)cs2)c1,halo,nitro
231603,Substitute a hydroxyl in the molecule Cc1ccc(C)c(N2N=C(C(=O)N3CC[C@H](C)[C@@H](O)C3)CCC2=O)c1 with thiol.,Cc1ccc(C)c(N2N=C(C(=O)N3CC[C@H](C)[C@@H](O)C3)CCC2=O)c1,hydroxyl,thiol
22667,Replace a halo in the molecule CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 by aldehyde.,CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1,halo,aldehyde
178585,Please substitute a halo in the molecule COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 by nitro.,COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1,halo,nitro
192493,Please substitute a hydroxyl in the molecule C[C@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 by thiol.,C[C@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1,hydroxyl,thiol
71332,Replace a hydroxyl in the molecule CCS[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1 by aldehyde.,CCS[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1,hydroxyl,aldehyde
137579,Replace a halo in the molecule C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C by carboxyl.,C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C,halo,carboxyl
28147,Replace a halo in the molecule O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1 by aldehyde.,O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1,halo,aldehyde
99167,Please substitute a hydroxyl in the molecule CCC[C@H](O)[C@H]1CCOC2(CCCC2)C1 by carboxyl.,CCC[C@H](O)[C@H]1CCOC2(CCCC2)C1,hydroxyl,carboxyl
38090,Substitute a halo in the molecule CC[C@H]1C(=O)NCC[NH+]1CC(=O)Nc1cc(Cl)ccc1F with hydroxyl.,CC[C@H]1C(=O)NCC[NH+]1CC(=O)Nc1cc(Cl)ccc1F,halo,hydroxyl
226975,Replace a hydroxyl in the molecule COCCn1ccc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)cc21 by carboxyl.,COCCn1ccc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)cc21,hydroxyl,carboxyl
139204,Modify the molecule CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSCC(F)(F)F)CC1 by substituting a halo with carboxyl.,CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSCC(F)(F)F)CC1,halo,carboxyl
139340,Modify the molecule CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl by replacing a halo by nitro.,CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl,halo,nitro
180079,Replace a halo in the molecule CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(Cl)c1Cl)C2 by nitro.,CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(Cl)c1Cl)C2,halo,nitro
87703,Please substitute a halo in the molecule O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCc1ccc(Cl)cc1Cl by carboxyl.,O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCc1ccc(Cl)cc1Cl,halo,carboxyl
38547,Please substitute a halo in the molecule COc1ccc(Br)cc1NC(=O)c1nc[nH]n1 by thiol.,COc1ccc(Br)cc1NC(=O)c1nc[nH]n1,halo,thiol
202195,Modify the molecule N#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1O by replacing a nitrile by halo.,N#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1O,nitrile,halo
176351,Substitute a halo in the molecule Cc1nn(C)c2ncc(NC(=O)N(C)[C@@H](C)c3ccccc3Cl)cc12 with carboxyl.,Cc1nn(C)c2ncc(NC(=O)N(C)[C@@H](C)c3ccccc3Cl)cc12,halo,carboxyl
12913,Modify the molecule O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1 by substituting a halo with thiol.,O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1,halo,thiol
154052,Substitute a halo in the molecule O[C@@H](Cc1cc(Br)cs1)C1([NH+]2CCCC2)CCCC1 with aldehyde.,O[C@@H](Cc1cc(Br)cs1)C1([NH+]2CCCC2)CCCC1,halo,aldehyde
238837,Modify the molecule C#CCNC(=O)c1cc([N+](=O)[O-])ccc1I by substituting a halo with aldehyde.,C#CCNC(=O)c1cc([N+](=O)[O-])ccc1I,halo,aldehyde
24842,Please substitute a halo in the molecule Cc1cc(OC(=O)Cn2ncc3ccccc3c2=O)ccc1Cl by hydroxyl.,Cc1cc(OC(=O)Cn2ncc3ccccc3c2=O)ccc1Cl,halo,hydroxyl
153781,Substitute a nitrile in the molecule C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 with thiol.,C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1,nitrile,thiol
120712,Modify the molecule C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 by substituting a hydroxyl with aldehyde.,C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1,hydroxyl,aldehyde
99466,Substitute a hydroxyl in the molecule COc1ccc([C@@H](O)C[NH2+][C@H]2CC[C@H](C)c3ccccc32)cc1OC with carboxyl.,COc1ccc([C@@H](O)C[NH2+][C@H]2CC[C@H](C)c3ccccc32)cc1OC,hydroxyl,carboxyl
131954,Please substitute a halo in the molecule Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O by hydroxyl.,Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O,halo,hydroxyl
19017,Substitute a nitrile in the molecule CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1 with carboxyl.,CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1,nitrile,carboxyl
77881,Modify the molecule C[C@H]1CN(Cc2ccccc2NC(=O)c2ccncc2F)C[C@H](C)O1 by substituting a halo with aldehyde.,C[C@H]1CN(Cc2ccccc2NC(=O)c2ccncc2F)C[C@H](C)O1,halo,aldehyde
57625,Modify the molecule O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 by replacing a halo by hydroxyl.,O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1,halo,hydroxyl
43444,Modify the molecule COc1ccc(OC)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 by substituting a nitro with halo.,COc1ccc(OC)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21,nitro,halo
48356,Replace a halo in the molecule Cc1cc([C@@H](N)c2ncc(Cl)cc2Cl)ccc1F by nitrile.,Cc1cc([C@@H](N)c2ncc(Cl)cc2Cl)ccc1F,halo,nitrile
223571,Substitute a nitro in the molecule CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 with halo.,CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1,nitro,halo
106910,Please substitute a halo in the molecule CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCC(F)F)cn2)C1 by nitro.,CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCC(F)F)cn2)C1,halo,nitro
133157,Modify the molecule CC[C@H](Cc1cccnc1OC)[C@@H](C)O by substituting a hydroxyl with halo.,CC[C@H](Cc1cccnc1OC)[C@@H](C)O,hydroxyl,halo
46553,Modify the molecule CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)CCO1 by substituting a hydroxyl with carboxyl.,CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)CCO1,hydroxyl,carboxyl
123465,Modify the molecule C[C@@H]1CCC[C@H](NC(=O)OCCO)C1 by replacing a hydroxyl by thiol.,C[C@@H]1CCC[C@H](NC(=O)OCCO)C1,hydroxyl,thiol
76304,Modify the molecule COc1cc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C23)ccc1OCc1ccccc1 by substituting a nitrile with hydroxyl.,COc1cc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C23)ccc1OCc1ccccc1,nitrile,hydroxyl
21534,Modify the molecule CC(C)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1 by replacing a hydroxyl by thiol.,CC(C)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1,hydroxyl,thiol
133839,Substitute a halo in the molecule CC(C)N(C)c1ccc(N[C@@H](C)c2ccoc2)cc1F with nitro.,CC(C)N(C)c1ccc(N[C@@H](C)c2ccoc2)cc1F,halo,nitro
137584,Please replace a hydroxyl in the molecule COc1cccc(C(=O)N2CCCCC2)c1O with carboxyl.,COc1cccc(C(=O)N2CCCCC2)c1O,hydroxyl,carboxyl
64639,Please replace a hydroxyl in the molecule C=CCOc1ccccc1C(=O)N/N=C(/C)c1cc(O)ccc1O with nitrile.,C=CCOc1ccccc1C(=O)N/N=C(/C)c1cc(O)ccc1O,hydroxyl,nitrile
218849,Replace a hydroxyl in the molecule OC[C@]1(CCc2ccccc2)CCC[NH+](C2Cc3ccccc3C2)C1 by nitrile.,OC[C@]1(CCc2ccccc2)CCC[NH+](C2Cc3ccccc3C2)C1,hydroxyl,nitrile
218678,Please substitute a hydroxyl in the molecule CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 by carboxyl.,CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1,hydroxyl,carboxyl
76058,Modify the molecule C[C@@H]([NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[C@@H]1CN(C)CCO1 by replacing a halo by nitrile.,C[C@@H]([NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[C@@H]1CN(C)CCO1,halo,nitrile
6090,Please replace a halo in the molecule O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 with nitrile.,O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1,halo,nitrile
163413,Modify the molecule Cc1ccc(-c2n[nH]c(S[C@H](C)C#N)n2)cc1 by replacing a nitrile by carboxyl.,Cc1ccc(-c2n[nH]c(S[C@H](C)C#N)n2)cc1,nitrile,carboxyl
107522,Replace a halo in the molecule CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)C1 by thiol.,CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)C1,halo,thiol
34170,Modify the molecule CCN(Cc1cccc(F)c1)C(=O)CSCC(F)(F)F by replacing a halo by aldehyde.,CCN(Cc1cccc(F)c1)C(=O)CSCC(F)(F)F,halo,aldehyde
218982,Modify the molecule Cc1noc([C@H](C)OC(=O)Cc2c(F)cccc2F)n1 by replacing a halo by nitrile.,Cc1noc([C@H](C)OC(=O)Cc2c(F)cccc2F)n1,halo,nitrile
89661,Substitute a nitrile in the molecule N#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(C(F)(F)F)cn2)c1N with hydroxyl.,N#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(C(F)(F)F)cn2)c1N,nitrile,hydroxyl
145793,Modify the molecule CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 by replacing a halo by carboxyl.,CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1,halo,carboxyl
67822,Substitute a halo in the molecule CC[NH+]1CCC(NCc2ccc(F)cc2)CC1 with hydroxyl.,CC[NH+]1CCC(NCc2ccc(F)cc2)CC1,halo,hydroxyl
178526,Modify the molecule COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1 by substituting a hydroxyl with carboxyl.,COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1,hydroxyl,carboxyl
246654,Substitute a halo in the molecule COc1ccc(F)cc1NC(=O)c1nc(C)c(C)[nH]c1=O with hydroxyl.,COc1ccc(F)cc1NC(=O)c1nc(C)c(C)[nH]c1=O,halo,hydroxyl
190987,Modify the molecule CCC[NH2+]Cc1ccc(Br)cc1N(C)Cc1ccccc1 by substituting a halo with thiol.,CCC[NH2+]Cc1ccc(Br)cc1N(C)Cc1ccccc1,halo,thiol
245676,Please substitute a halo in the molecule Cn1c([C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)nc2ccc(F)cc21 by carboxyl.,Cn1c([C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)nc2ccc(F)cc21,halo,carboxyl
157963,Modify the molecule C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1Cl by replacing a halo by thiol.,C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1Cl,halo,thiol
176594,Replace a halo in the molecule CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 by nitrile.,CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1,halo,nitrile
240720,Substitute a halo in the molecule Cc1ccc(C)c(-n2nc(C)c(CN3CCO[C@H](C(N)=O)C3)c2Cl)c1 with hydroxyl.,Cc1ccc(C)c(-n2nc(C)c(CN3CCO[C@H](C(N)=O)C3)c2Cl)c1,halo,hydroxyl
126210,Modify the molecule C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 by replacing a nitro by carboxyl.,C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1,nitro,carboxyl
166729,Replace a nitro in the molecule C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 by aldehyde.,C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1,nitro,aldehyde
27920,Substitute a hydroxyl in the molecule CN(C)c1nnc(S[C@H]2CCC[C@@]([NH3+])(CO)C2)s1 with nitrile.,CN(C)c1nnc(S[C@H]2CCC[C@@]([NH3+])(CO)C2)s1,hydroxyl,nitrile
71180,Substitute a halo in the molecule O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 with thiol.,O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1,halo,thiol
234459,Replace a halo in the molecule Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1 by thiol.,Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1,halo,thiol
239569,Modify the molecule CCCN(CC1CC1)C(=O)c1cccc(OC)c1F by replacing a halo by nitro.,CCCN(CC1CC1)C(=O)c1cccc(OC)c1F,halo,nitro
72360,Modify the molecule CC[C@H](Oc1c(C)cc(Br)cc1C)C(=O)[O-] by replacing a halo by carboxyl.,CC[C@H](Oc1c(C)cc(Br)cc1C)C(=O)[O-],halo,carboxyl
239508,Please replace a nitro in the molecule O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1 with aldehyde.,O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1,nitro,aldehyde
101867,Substitute a thiol in the molecule C[C@@H](CCS)CC[NH+]1CCC[C@H]1C with nitrile.,C[C@@H](CCS)CC[NH+]1CCC[C@H]1C,thiol,nitrile
20753,Modify the molecule O=C(Cc1ccccc1O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 by replacing a halo by carboxyl.,O=C(Cc1ccccc1O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,halo,carboxyl
242074,Please replace a halo in the molecule Cc1ccc(C(=O)Nc2c(F)cccc2F)c(F)c1 with hydroxyl.,Cc1ccc(C(=O)Nc2c(F)cccc2F)c(F)c1,halo,hydroxyl
162094,Modify the molecule CC1CCC(Oc2cc(CNc3nccnc3C#N)ccn2)CC1 by replacing a nitrile by nitro.,CC1CCC(Oc2cc(CNc3nccnc3C#N)ccn2)CC1,nitrile,nitro
169868,Modify the molecule CC(C)c1nn(-c2ccccc2Cl)c(N)c1I by substituting a halo with aldehyde.,CC(C)c1nn(-c2ccccc2Cl)c(N)c1I,halo,aldehyde
130296,Modify the molecule C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO by replacing a halo by thiol.,C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,halo,thiol
242069,Replace a nitro in the molecule COc1cc(C[NH+](C)Cc2ccc(O)c([N+](=O)[O-])c2)ccc1SC by hydroxyl.,COc1cc(C[NH+](C)Cc2ccc(O)c([N+](=O)[O-])c2)ccc1SC,nitro,hydroxyl
210579,Please replace a halo in the molecule CCc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)c1 with aldehyde.,CCc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)c1,halo,aldehyde
86967,Modify the molecule CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)cn1 by replacing a halo by hydroxyl.,CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)cn1,halo,hydroxyl
23494,Modify the molecule CC[NH2+]C[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl by replacing a halo by nitro.,CC[NH2+]C[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl,halo,nitro
66700,Please replace a hydroxyl in the molecule OC[C@@H]1CCC[NH+]1Cc1ncc(-c2cccs2)o1 with thiol.,OC[C@@H]1CCC[NH+]1Cc1ncc(-c2cccs2)o1,hydroxyl,thiol
156688,Modify the molecule NC(=O)N/N=C\c1ccccc1Br by substituting a halo with thiol.,NC(=O)N/N=C\c1ccccc1Br,halo,thiol
228104,Please substitute a nitro in the molecule CNC(=O)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 by thiol.,CNC(=O)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1,nitro,thiol
167581,Please replace a halo in the molecule S=C(Nc1ccccc1)Nc1ccncc1Cl with nitro.,S=C(Nc1ccccc1)Nc1ccncc1Cl,halo,nitro
223843,Please substitute a halo in the molecule Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(F)cc1F by hydroxyl.,Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(F)cc1F,halo,hydroxyl
37002,Modify the molecule FC(F)c1[nH]ncc1C[NH2+]C1CC1 by replacing a halo by aldehyde.,FC(F)c1[nH]ncc1C[NH2+]C1CC1,halo,aldehyde
242819,Modify the molecule C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 by replacing a hydroxyl by nitro.,C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1,hydroxyl,nitro
4356,Please substitute a halo in the molecule Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 by hydroxyl.,Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1,halo,hydroxyl
31528,Please substitute a hydroxyl in the molecule COc1cccc([C@H](CO)NC(=O)Cc2csc(C(C)(C)C)n2)c1 by thiol.,COc1cccc([C@H](CO)NC(=O)Cc2csc(C(C)(C)C)n2)c1,hydroxyl,thiol
171522,Please replace a hydroxyl in the molecule CC1(C)CCC[NH+]1[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 with carboxyl.,CC1(C)CCC[NH+]1[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1,hydroxyl,carboxyl
151512,Replace a hydroxyl in the molecule Cc1cc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)ccc1N(C)C by carboxyl.,Cc1cc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)ccc1N(C)C,hydroxyl,carboxyl
11826,Modify the molecule Cc1cc2c(cc1C)N(Cc1cccc(F)c1)[C@@H]([C@@H]1C=CC=NC1=O)N2 by replacing a halo by nitro.,Cc1cc2c(cc1C)N(Cc1cccc(F)c1)[C@@H]([C@@H]1C=CC=NC1=O)N2,halo,nitro
195055,Modify the molecule C[C@@H]1CCC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C by substituting a nitro with hydroxyl.,C[C@@H]1CCC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C,nitro,hydroxyl
198130,Modify the molecule C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C[C@@H]1O by substituting a halo with thiol.,C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2)C[C@@H]1O,halo,thiol
68980,Please substitute a halo in the molecule CCc1nc(CN2CCN(CC(=O)Nc3cccnc3Cl)CC2)no1 by hydroxyl.,CCc1nc(CN2CCN(CC(=O)Nc3cccnc3Cl)CC2)no1,halo,hydroxyl
31572,Replace a halo in the molecule CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc(F)c(Cl)c1 by nitrile.,CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc(F)c(Cl)c1,halo,nitrile
53135,Please replace a halo in the molecule COc1cc(C(=O)NCc2ccc(F)cc2)nc2ccccc12 with nitrile.,COc1cc(C(=O)NCc2ccc(F)cc2)nc2ccccc12,halo,nitrile
70120,Modify the molecule COCc1cc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)ccc1F by replacing a halo by hydroxyl.,COCc1cc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)ccc1F,halo,hydroxyl
16439,Please replace a halo in the molecule COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC(F)F with aldehyde.,COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC(F)F,halo,aldehyde
86524,Replace a nitro in the molecule COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 by aldehyde.,COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1,nitro,aldehyde
41794,Substitute a halo in the molecule [NH3+][C@H]1CCOC[C@@H]1Cc1cc(Cl)ccc1Cl with aldehyde.,[NH3+][C@H]1CCOC[C@@H]1Cc1cc(Cl)ccc1Cl,halo,aldehyde
187673,Substitute a halo in the molecule CN(Cc1[nH+]ccn1C)C(=O)C[C@@H](O)c1ccc(Cl)cc1 with thiol.,CN(Cc1[nH+]ccn1C)C(=O)C[C@@H](O)c1ccc(Cl)cc1,halo,thiol
63477,Modify the molecule Cc1sc(Br)cc1-c1nn(C)cc1C[NH2+]C(C)(C)C by replacing a halo by nitro.,Cc1sc(Br)cc1-c1nn(C)cc1C[NH2+]C(C)(C)C,halo,nitro
190922,Please substitute a halo in the molecule COc1ccc(OCc2cccc(Cl)c2)c(CBr)c1 by aldehyde.,COc1ccc(OCc2cccc(Cl)c2)c(CBr)c1,halo,aldehyde
242114,Please substitute a halo in the molecule CC(C)[NH+](CCNC(=O)N1CCN(c2ncccc2F)CC1)C(C)C by carboxyl.,CC(C)[NH+](CCNC(=O)N1CCN(c2ncccc2F)CC1)C(C)C,halo,carboxyl
30997,Replace a halo in the molecule Cn1nc(C(=O)N2CCOCC2)c(Cl)c1C(F)(F)F by hydroxyl.,Cn1nc(C(=O)N2CCOCC2)c(Cl)c1C(F)(F)F,halo,hydroxyl
79451,Modify the molecule O=c1c2ccsc2ncn1[C@@H](CO)c1ccccc1 by substituting a hydroxyl with aldehyde.,O=c1c2ccsc2ncn1[C@@H](CO)c1ccccc1,hydroxyl,aldehyde
201667,Please replace a halo in the molecule Cn1cc(-c2noc(-c3ccc4ccc(Cl)cc4n3)n2)cn1 with aldehyde.,Cn1cc(-c2noc(-c3ccc4ccc(Cl)cc4n3)n2)cn1,halo,aldehyde
148438,Modify the molecule COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C by replacing a nitro by nitrile.,COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C,nitro,nitrile
58944,Substitute a nitrile in the molecule CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 with aldehyde.,CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1,nitrile,aldehyde
120838,Replace a halo in the molecule Cc1cc(C)c(NC(=O)CNC(=O)NCc2cc(F)ccc2F)c(C)c1 by nitrile.,Cc1cc(C)c(NC(=O)CNC(=O)NCc2cc(F)ccc2F)c(C)c1,halo,nitrile
99843,Replace a halo in the molecule Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc(O)c(F)c3)[nH]c2c1 by hydroxyl.,Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc(O)c(F)c3)[nH]c2c1,halo,hydroxyl
208810,Replace a halo in the molecule O=C(CC1C[C@@H]2CC[C@H](C1)[NH2+]2)N1CCC(C(F)(F)F)CC1 by thiol.,O=C(CC1C[C@@H]2CC[C@H](C1)[NH2+]2)N1CCC(C(F)(F)F)CC1,halo,thiol
108486,Please substitute a halo in the molecule C#CCN(C(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 by thiol.,C#CCN(C(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1)[C@H]1CCS(=O)(=O)C1,halo,thiol
22361,Substitute a hydroxyl in the molecule CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CO)C1)c1cccs1 with carboxyl.,CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CO)C1)c1cccs1,hydroxyl,carboxyl
76994,Modify the molecule O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccco1 by replacing a halo by carboxyl.,O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccco1,halo,carboxyl
180602,Substitute a halo in the molecule O=C(Nc1ccc(Br)cc1)c1ccc(CSC2=NCCS2)cc1 with nitro.,O=C(Nc1ccc(Br)cc1)c1ccc(CSC2=NCCS2)cc1,halo,nitro
102319,Please substitute a hydroxyl in the molecule CC/[NH+]=C(/NCc1[nH+]ccn1C)N1CC[C@@H](O)C1 by aldehyde.,CC/[NH+]=C(/NCc1[nH+]ccn1C)N1CC[C@@H](O)C1,hydroxyl,aldehyde
241040,Replace a halo in the molecule NC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1 by thiol.,NC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1,halo,thiol
174974,Replace a halo in the molecule O=C(Nc1nncs1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 by hydroxyl.,O=C(Nc1nncs1)c1cccc(-n2ccc(C(F)(F)F)n2)c1,halo,hydroxyl
132243,Please replace a halo in the molecule O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccc2c(c1)OCO2 with aldehyde.,O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccc2c(c1)OCO2,halo,aldehyde
4950,Please replace a halo in the molecule CCc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 with carboxyl.,CCc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23,halo,carboxyl
110374,Substitute a halo in the molecule COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 with nitro.,COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1,halo,nitro
175140,Substitute a halo in the molecule CN(Cc1nc2ccccc2s1)C(=O)Cc1c(F)cccc1Cl with nitrile.,CN(Cc1nc2ccccc2s1)C(=O)Cc1c(F)cccc1Cl,halo,nitrile
23144,Substitute a halo in the molecule CNC(=O)NC(=O)[C@H](C)Sc1ncccc1Cl with aldehyde.,CNC(=O)NC(=O)[C@H](C)Sc1ncccc1Cl,halo,aldehyde
101605,Please replace a halo in the molecule CC(=O)Nc1ccc(F)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 with nitro.,CC(=O)Nc1ccc(F)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1,halo,nitro
236595,Modify the molecule COc1ccccc1OCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C by substituting a halo with nitrile.,COc1ccccc1OCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C,halo,nitrile
160562,Modify the molecule CC1CC[NH+](C[C@@H](O)C[NH2+]C/C=C/c2ccccc2)CC1 by substituting a hydroxyl with nitrile.,CC1CC[NH+](C[C@@H](O)C[NH2+]C/C=C/c2ccccc2)CC1,hydroxyl,nitrile
35728,Please substitute a nitro in the molecule COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 by halo.,COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1,nitro,halo
208301,Modify the molecule CN(C(=O)Nc1ccc(Cl)cc1)C1CCC([NH3+])CC1 by substituting a halo with nitrile.,CN(C(=O)Nc1ccc(Cl)cc1)C1CCC([NH3+])CC1,halo,nitrile
157082,Please substitute a halo in the molecule CCSc1nnc2c(n1)O[C@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2 by thiol.,CCSc1nnc2c(n1)O[C@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2,halo,thiol
58971,Please substitute a halo in the molecule CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O by carboxyl.,CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O,halo,carboxyl
14142,Replace a halo in the molecule COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 by hydroxyl.,COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1,halo,hydroxyl
191606,Please substitute a nitro in the molecule CC(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 by aldehyde.,CC(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12,nitro,aldehyde
193697,Replace a halo in the molecule Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccnc1 by carboxyl.,Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccnc1,halo,carboxyl
239391,Please replace a hydroxyl in the molecule CCCN(CCO)C(=O)Nc1nc(C)c(-c2ccccc2)s1 with nitro.,CCCN(CCO)C(=O)Nc1nc(C)c(-c2ccccc2)s1,hydroxyl,nitro
235740,Please replace a hydroxyl in the molecule CCC(=O)N/N=C/c1cccc(O)c1 with nitrile.,CCC(=O)N/N=C/c1cccc(O)c1,hydroxyl,nitrile
73534,Modify the molecule O=C(NCCc1csc2ccccc12)N[C@@H]1C=C[C@H](CO)C1 by replacing a hydroxyl by carboxyl.,O=C(NCCc1csc2ccccc12)N[C@@H]1C=C[C@H](CO)C1,hydroxyl,carboxyl
62733,Modify the molecule CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 by replacing a halo by thiol.,CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1,halo,thiol
115942,Substitute a halo in the molecule O=C(NCc1ccc2c(c1)OCCO2)N[C@H]1C[C@@H]1c1cccc(Cl)c1 with thiol.,O=C(NCc1ccc2c(c1)OCCO2)N[C@H]1C[C@@H]1c1cccc(Cl)c1,halo,thiol
7763,Substitute a halo in the molecule COc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)ccc1OC(F)F with nitro.,COc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)ccc1OC(F)F,halo,nitro
61326,Please replace a halo in the molecule O=C(Nc1ccccn1)N1CCC[C@H]1Cc1cccc(F)c1 with thiol.,O=C(Nc1ccccn1)N1CCC[C@H]1Cc1cccc(F)c1,halo,thiol
66353,Substitute a hydroxyl in the molecule CC(C)[C@@H]([C@H](O)c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 with aldehyde.,CC(C)[C@@H]([C@H](O)c1ccccc1)N1CC[NH+]2CCC[C@@H]2C1,hydroxyl,aldehyde
187052,Modify the molecule CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(OC)cc3)c([N+](=O)[O-])cc21 by substituting a nitro with thiol.,CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(OC)cc3)c([N+](=O)[O-])cc21,nitro,thiol
243341,Modify the molecule COc1cccc(CNC(=O)COc2ccc(Cl)cc2C=O)c1 by substituting a aldehyde with halo.,COc1cccc(CNC(=O)COc2ccc(Cl)cc2C=O)c1,aldehyde,halo
90100,Modify the molecule Cc1ccc(N2C[C@H](C(=O)Nc3cccnc3Cl)CCC2=O)cc1C by replacing a halo by hydroxyl.,Cc1ccc(N2C[C@H](C(=O)Nc3cccnc3Cl)CCC2=O)cc1C,halo,hydroxyl
69981,Please substitute a halo in the molecule O[C@@H]1CCCOC12CCN(c1nccc(C(F)(F)F)n1)CC2 by aldehyde.,O[C@@H]1CCCOC12CCN(c1nccc(C(F)(F)F)n1)CC2,halo,aldehyde
163417,Please substitute a halo in the molecule O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccc(F)cc1 by hydroxyl.,O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccc(F)cc1,halo,hydroxyl
127758,Modify the molecule CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 by replacing a nitrile by aldehyde.,CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1,nitrile,aldehyde
108833,Modify the molecule Cc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1N by replacing a halo by thiol.,Cc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1N,halo,thiol
244389,Please replace a hydroxyl in the molecule C/C(=N\c1ccccc1O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O with halo.,C/C(=N\c1ccccc1O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O,hydroxyl,halo
39793,Substitute a hydroxyl in the molecule CO[C@]1(C)C[C@@H](NC(=O)NC2CCC(O)CC2)C1(C)C with halo.,CO[C@]1(C)C[C@@H](NC(=O)NC2CCC(O)CC2)C1(C)C,hydroxyl,halo
11560,Please substitute a halo in the molecule C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(OCC(F)F)c1 by carboxyl.,C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(OCC(F)F)c1,halo,carboxyl
171146,Substitute a halo in the molecule O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1 with hydroxyl.,O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1,halo,hydroxyl
92443,Modify the molecule O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 by replacing a halo by nitrile.,O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1,halo,nitrile
31587,Please replace a halo in the molecule CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-] with hydroxyl.,CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-],halo,hydroxyl
127041,Please replace a halo in the molecule Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3F)CC2)cc1 with thiol.,Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3F)CC2)cc1,halo,thiol
237159,Modify the molecule CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 by substituting a nitro with nitrile.,CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1,nitro,nitrile
109117,Modify the molecule O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCc2c(O)cccc21 by replacing a hydroxyl by thiol.,O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCc2c(O)cccc21,hydroxyl,thiol
146060,Replace a hydroxyl in the molecule C[C@@H]1CCC[C@@H](C[NH2+]C2(CO)CCOCC2)C1 by carboxyl.,C[C@@H]1CCC[C@@H](C[NH2+]C2(CO)CCOCC2)C1,hydroxyl,carboxyl
130059,Please replace a halo in the molecule CC(=O)N(c1ccc(F)cc1)c1nc(CNC2(C)Cc3ccccc3C2)cs1 with nitrile.,CC(=O)N(c1ccc(F)cc1)c1nc(CNC2(C)Cc3ccccc3C2)cs1,halo,nitrile
162212,Modify the molecule C=CCS(=O)(=O)/N=C(\[O-])c1cc(F)cc(Br)c1 by replacing a halo by thiol.,C=CCS(=O)(=O)/N=C(\[O-])c1cc(F)cc(Br)c1,halo,thiol
241385,Please substitute a nitro in the molecule Cc1ccc(O)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 by nitrile.,Cc1ccc(O)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1,nitro,nitrile
222904,Modify the molecule C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 by replacing a halo by nitro.,C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1,halo,nitro
19358,Please replace a halo in the molecule CC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Br)cc1 with thiol.,CC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Br)cc1,halo,thiol
150043,Substitute a halo in the molecule COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1 with carboxyl.,COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1,halo,carboxyl
231754,Modify the molecule Cc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)sc1Br by replacing a halo by nitro.,Cc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)sc1Br,halo,nitro
39700,Substitute a halo in the molecule COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 with carboxyl.,COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1,halo,carboxyl
154541,Replace a hydroxyl in the molecule N/C(CN(C[C@H]1Cc2ccccc2S1)C1CCCC1)=N\O by carboxyl.,N/C(CN(C[C@H]1Cc2ccccc2S1)C1CCCC1)=N\O,hydroxyl,carboxyl
155450,Please substitute a halo in the molecule O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 by hydroxyl.,O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1,halo,hydroxyl
54757,Replace a nitrile in the molecule CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)NC(C)(C)C by halo.,CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)NC(C)(C)C,nitrile,halo
169039,Replace a halo in the molecule Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)n1 by aldehyde.,Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)n1,halo,aldehyde
4478,Please substitute a hydroxyl in the molecule C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(-n2ccnc2)cc1 by nitrile.,C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(-n2ccnc2)cc1,hydroxyl,nitrile
94225,Modify the molecule CCCN(C(=O)[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 by substituting a hydroxyl with carboxyl.,CCCN(C(=O)[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1,hydroxyl,carboxyl
229122,Modify the molecule CCCN1CCO[C@H]([C@H](O)c2cc(C)c[nH+]c2N)C1 by replacing a hydroxyl by nitro.,CCCN1CCO[C@H]([C@H](O)c2cc(C)c[nH+]c2N)C1,hydroxyl,nitro
105465,Please substitute a halo in the molecule C[C@@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCO1 by thiol.,C[C@@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCO1,halo,thiol
88015,Please substitute a halo in the molecule CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(Cl)o2)C1(C)C by carboxyl.,CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(Cl)o2)C1(C)C,halo,carboxyl
184229,Please replace a halo in the molecule Cc1cc(F)ccc1NC(=O)c1cc(F)ccc1F with nitrile.,Cc1cc(F)ccc1NC(=O)c1cc(F)ccc1F,halo,nitrile
68721,Replace a hydroxyl in the molecule CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[C@@H]2O)c2cccs2)CC1 by aldehyde.,CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[C@@H]2O)c2cccs2)CC1,hydroxyl,aldehyde
217433,Please substitute a hydroxyl in the molecule C[C@@H]1C[C@H](NC(=O)Cc2ccccc2O)CC[NH+]1C by nitro.,C[C@@H]1C[C@H](NC(=O)Cc2ccccc2O)CC[NH+]1C,hydroxyl,nitro
120004,Please replace a halo in the molecule COCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 with carboxyl.,COCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1,halo,carboxyl
162110,Please replace a halo in the molecule Cc1cc([C@H](Cl)C(=O)N(C)C)ccc1Br with carboxyl.,Cc1cc([C@H](Cl)C(=O)N(C)C)ccc1Br,halo,carboxyl
142105,Substitute a hydroxyl in the molecule NC(=O)CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S with carboxyl.,NC(=O)CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S,hydroxyl,carboxyl
139929,Please replace a thiol in the molecule CCC(CC)(CS)C[NH+]1CCCCC1 with carboxyl.,CCC(CC)(CS)C[NH+]1CCCCC1,thiol,carboxyl
165836,Modify the molecule CCOC(=O)[C@]1(C)CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O by replacing a halo by nitrile.,CCOC(=O)[C@]1(C)CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O,halo,nitrile
238631,Please replace a hydroxyl in the molecule COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 with nitrile.,COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1,hydroxyl,nitrile
42146,Please substitute a halo in the molecule CN(C)c1ccc(CNC(=O)c2cc(F)cc3[nH]cnc23)cc1 by nitrile.,CN(C)c1ccc(CNC(=O)c2cc(F)cc3[nH]cnc23)cc1,halo,nitrile
214241,Modify the molecule Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1 by replacing a nitrile by aldehyde.,Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1,nitrile,aldehyde
13167,Substitute a hydroxyl in the molecule CC(C)C1CCN(C(=O)CC2(O)CCCCC2)CC1 with aldehyde.,CC(C)C1CCN(C(=O)CC2(O)CCCCC2)CC1,hydroxyl,aldehyde
21768,Modify the molecule N#Cc1cccnc1N1CCC(CNC(=O)c2cccnc2)CC1 by replacing a nitrile by thiol.,N#Cc1cccnc1N1CCC(CNC(=O)c2cccnc2)CC1,nitrile,thiol
202974,Substitute a halo in the molecule CCc1ccc(Cl)c(CC)c1NC(=O)NCc1nnc2n1CCCCC2 with thiol.,CCc1ccc(Cl)c(CC)c1NC(=O)NCc1nnc2n1CCCCC2,halo,thiol
239493,Modify the molecule CCN(CC(C)(C)O)S(=O)(=O)C[C@H](C)CCl by replacing a hydroxyl by thiol.,CCN(CC(C)(C)O)S(=O)(=O)C[C@H](C)CCl,hydroxyl,thiol
119590,Modify the molecule Clc1cccnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 by replacing a halo by nitro.,Clc1cccnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1,halo,nitro
116923,Replace a halo in the molecule O=C([C@H]1COc2ccc(F)cc2C1)N1CCN(c2cc[nH+]cc2)CC1 by carboxyl.,O=C([C@H]1COc2ccc(F)cc2C1)N1CCN(c2cc[nH+]cc2)CC1,halo,carboxyl
144251,Substitute a hydroxyl in the molecule O=C1CC[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CN1CC1CC1 with aldehyde.,O=C1CC[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CN1CC1CC1,hydroxyl,aldehyde
98383,Modify the molecule Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1 by replacing a hydroxyl by carboxyl.,Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1,hydroxyl,carboxyl
45819,Modify the molecule O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br by substituting a nitro with aldehyde.,O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br,nitro,aldehyde
28548,Please substitute a hydroxyl in the molecule CN(C)c1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1 by aldehyde.,CN(C)c1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1,hydroxyl,aldehyde
97686,Modify the molecule CC(C)c1ocnc1C[S@](=O)Cc1cc(=O)n2cc(Cl)ccc2n1 by substituting a halo with carboxyl.,CC(C)c1ocnc1C[S@](=O)Cc1cc(=O)n2cc(Cl)ccc2n1,halo,carboxyl
223066,Please substitute a halo in the molecule Cc1sc(NC(=S)NC(=O)c2cccc(Cl)c2)c(C(N)=O)c1C by nitro.,Cc1sc(NC(=S)NC(=O)c2cccc(Cl)c2)c(C(N)=O)c1C,halo,nitro
84707,Modify the molecule CC[NH+](CC)C1(C(=O)Cc2ccc(Br)s2)CCCC1 by replacing a halo by carboxyl.,CC[NH+](CC)C1(C(=O)Cc2ccc(Br)s2)CCCC1,halo,carboxyl
21895,Please substitute a halo in the molecule CCOc1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)cc1 by aldehyde.,CCOc1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)cc1,halo,aldehyde
62815,Replace a nitrile in the molecule C[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl by halo.,C[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl,nitrile,halo
185066,Please substitute a halo in the molecule COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 by hydroxyl.,COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1,halo,hydroxyl
199067,Please replace a halo in the molecule O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cncc(Br)c1 with thiol.,O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cncc(Br)c1,halo,thiol
76940,Replace a halo in the molecule O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N=C2[O-])cc1Cl by nitro.,O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N=C2[O-])cc1Cl,halo,nitro
93103,Modify the molecule C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 by replacing a halo by thiol.,C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1,halo,thiol
166483,Please replace a nitrile in the molecule CC[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1oc(C)c(C)c1C#N with halo.,CC[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1oc(C)c(C)c1C#N,nitrile,halo
48834,Replace a nitrile in the molecule COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1cccc(C#N)c1 by carboxyl.,COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1cccc(C#N)c1,nitrile,carboxyl
60439,Modify the molecule CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1 by substituting a nitro with halo.,CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1,nitro,halo
13139,Replace a halo in the molecule Cn1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 by nitro.,Cn1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)n1,halo,nitro
43923,Please substitute a halo in the molecule C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1 by carboxyl.,C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1,halo,carboxyl
248780,Please replace a halo in the molecule Oc1ccc(-c2cccc(F)c2F)cc1 with nitrile.,Oc1ccc(-c2cccc(F)c2F)cc1,halo,nitrile
82974,Please substitute a hydroxyl in the molecule O=C(NC1CCCCC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 by thiol.,O=C(NC1CCCCC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1,hydroxyl,thiol
210750,Modify the molecule C[C@H](c1ccccc1)N(C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 by replacing a halo by thiol.,C[C@H](c1ccccc1)N(C)C(=O)Nc1cc2c(cc1Cl)OCCCO2,halo,thiol
61803,Please substitute a halo in the molecule C=CCN(CC(F)(F)F)C(=O)c1cncc(Br)c1 by aldehyde.,C=CCN(CC(F)(F)F)C(=O)c1cncc(Br)c1,halo,aldehyde
75862,Modify the molecule O=C([O-])c1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1O by replacing a halo by nitro.,O=C([O-])c1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1O,halo,nitro
131199,Modify the molecule O=C1N=C(c2ccc([N+](=O)[O-])o2)N=C2S[C@@H]3CCCCC3=C12 by replacing a nitro by hydroxyl.,O=C1N=C(c2ccc([N+](=O)[O-])o2)N=C2S[C@@H]3CCCCC3=C12,nitro,hydroxyl
190396,Substitute a nitro in the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H]1C with halo.,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H]1C,nitro,halo
63516,Please replace a halo in the molecule O=C(Cn1cnc2cc(F)c(F)cc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 with carboxyl.,O=C(Cn1cnc2cc(F)c(F)cc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1,halo,carboxyl
58774,Modify the molecule NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 by substituting a halo with thiol.,NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12,halo,thiol
97988,Please substitute a halo in the molecule CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(F)c1 by hydroxyl.,CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(F)c1,halo,hydroxyl
94406,Please substitute a hydroxyl in the molecule C[NH+](Cc1csc(Br)c1)C[C@H]1CCC(C)(C)[C@H]1O by thiol.,C[NH+](Cc1csc(Br)c1)C[C@H]1CCC(C)(C)[C@H]1O,hydroxyl,thiol
36916,Modify the molecule C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 by replacing a halo by nitro.,C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1,halo,nitro
122094,Please substitute a nitro in the molecule O=[N+]([O-])c1cc([C@@H](O)c2ccccc2)ccc1Cl by carboxyl.,O=[N+]([O-])c1cc([C@@H](O)c2ccccc2)ccc1Cl,nitro,carboxyl
101665,Modify the molecule CC1(C)CCN(c2ccc(C(N)=[NH2+])c(Cl)c2)C1 by substituting a halo with carboxyl.,CC1(C)CCN(c2ccc(C(N)=[NH2+])c(Cl)c2)C1,halo,carboxyl
229754,Substitute a halo in the molecule C[C@]1(CNC(=O)c2cc(Br)cnc2NN)CCCO1 with aldehyde.,C[C@]1(CNC(=O)c2cc(Br)cnc2NN)CCCO1,halo,aldehyde
34996,Replace a halo in the molecule C[C@@]1(Cl)C(=O)C[C@H](c2ccccc2)[C@H]1c1ccccc1 by hydroxyl.,C[C@@]1(Cl)C(=O)C[C@H](c2ccccc2)[C@H]1c1ccccc1,halo,hydroxyl
179754,Modify the molecule O=C(NCc1cccc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 by substituting a halo with hydroxyl.,O=C(NCc1cccc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2,halo,hydroxyl
184106,Modify the molecule O=C(NNc1ccccc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 by replacing a halo by nitro.,O=C(NNc1ccccc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,halo,nitro
77042,Modify the molecule CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2)[C@@H](C#N)C(=O)N3)C1 by substituting a nitrile with carboxyl.,CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2)[C@@H](C#N)C(=O)N3)C1,nitrile,carboxyl
107519,Please replace a nitrile in the molecule COCCN(C(=O)C(=O)NC[C@H](C)C#N)c1nc2ccccc2s1 with halo.,COCCN(C(=O)C(=O)NC[C@H](C)C#N)c1nc2ccccc2s1,nitrile,halo
248223,Please replace a halo in the molecule Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)CC2)c1C with carboxyl.,Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)CC2)c1C,halo,carboxyl
49173,Please substitute a halo in the molecule Cc1cccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1 by aldehyde.,Cc1cccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1,halo,aldehyde
227673,Substitute a halo in the molecule O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 with hydroxyl.,O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1,halo,hydroxyl
157849,Replace a halo in the molecule COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)c(OC)c1 by carboxyl.,COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)c(OC)c1,halo,carboxyl
84905,Modify the molecule CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C)c1ccccc1 by replacing a halo by hydroxyl.,CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C)c1ccccc1,halo,hydroxyl
113324,Please replace a hydroxyl in the molecule OCC#Cc1cc(F)cc(COC[C@@H]2CCOC2)c1 with nitro.,OCC#Cc1cc(F)cc(COC[C@@H]2CCOC2)c1,hydroxyl,nitro
57989,Substitute a halo in the molecule C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OCC2CC2)c(F)c1 with carboxyl.,C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OCC2CC2)c(F)c1,halo,carboxyl
97715,Modify the molecule O=c1c2ccccc2nnn1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 by substituting a halo with nitro.,O=c1c2ccccc2nnn1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1,halo,nitro
213877,Replace a halo in the molecule COc1ccc(Br)cc1CNC(=O)c1cccc2cc[nH]c12 by thiol.,COc1ccc(Br)cc1CNC(=O)c1cccc2cc[nH]c12,halo,thiol
241499,Please substitute a hydroxyl in the molecule CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCO by aldehyde.,CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCO,hydroxyl,aldehyde
190627,Replace a nitrile in the molecule N#CC(C#N)=Cc1cccc(NC(=O)c2ccccc2Cl)c1 by carboxyl.,N#CC(C#N)=Cc1cccc(NC(=O)c2ccccc2Cl)c1,nitrile,carboxyl
128416,Replace a hydroxyl in the molecule Cc1nn(C)c(C[C@@H](O)[C@H]2C[NH+]3CCN2CC3)c1Cl by carboxyl.,Cc1nn(C)c(C[C@@H](O)[C@H]2C[NH+]3CCN2CC3)c1Cl,hydroxyl,carboxyl
197756,Please replace a halo in the molecule CCOC(=O)[C@@]1(NC)CC[C@H](n2nc(C)c(Cl)c2C)C1 with nitro.,CCOC(=O)[C@@]1(NC)CC[C@H](n2nc(C)c(Cl)c2C)C1,halo,nitro
182070,Please replace a nitrile in the molecule CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 with thiol.,CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1,nitrile,thiol
5617,Modify the molecule CNC(=O)c1cc(NC(=O)NCCOc2cccc(C)c2)ccc1Cl by substituting a halo with thiol.,CNC(=O)c1cc(NC(=O)NCCOc2cccc(C)c2)ccc1Cl,halo,thiol
12965,Modify the molecule COc1ccc([C@](C)(O)[C@H]2CCOC3(CCC3)C2)cc1 by substituting a hydroxyl with aldehyde.,COc1ccc([C@](C)(O)[C@H]2CCOC3(CCC3)C2)cc1,hydroxyl,aldehyde
231344,Substitute a halo in the molecule O=C(c1ccncc1)N1CCN(c2cncc(Br)c2)CC1 with hydroxyl.,O=C(c1ccncc1)N1CCN(c2cncc(Br)c2)CC1,halo,hydroxyl
59066,Substitute a halo in the molecule COC(=O)NCCc1nc(COc2ccc(Cl)cc2Cl)no1 with carboxyl.,COC(=O)NCCc1nc(COc2ccc(Cl)cc2Cl)no1,halo,carboxyl
225771,Modify the molecule CCc1nn(C)c(OC)c1CNC(=O)c1cc2cc(Cl)ccc2o1 by replacing a halo by hydroxyl.,CCc1nn(C)c(OC)c1CNC(=O)c1cc2cc(Cl)ccc2o1,halo,hydroxyl
44190,Please replace a halo in the molecule COCCc1nsc(N2CCC(Nc3ccc(F)cc3)CC2)n1 with aldehyde.,COCCc1nsc(N2CCC(Nc3ccc(F)cc3)CC2)n1,halo,aldehyde
109753,Substitute a halo in the molecule COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(Cl)c1 with hydroxyl.,COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(Cl)c1,halo,hydroxyl
110952,Modify the molecule C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccc(F)c(Cl)c1 by substituting a halo with carboxyl.,C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccc(F)c(Cl)c1,halo,carboxyl
235395,Modify the molecule CSc1cccc(N[C@H](C)c2ccc(Cl)s2)c1 by replacing a halo by nitro.,CSc1cccc(N[C@H](C)c2ccc(Cl)s2)c1,halo,nitro
95984,Modify the molecule O=C([O-])c1cncc(Sc2ccc(Cl)cn2)n1 by substituting a halo with thiol.,O=C([O-])c1cncc(Sc2ccc(Cl)cn2)n1,halo,thiol
135122,Modify the molecule COc1cc(OC)c(NCc2cnn(-c3ccccc3)c2)cc1F by replacing a halo by hydroxyl.,COc1cc(OC)c(NCc2cnn(-c3ccccc3)c2)cc1F,halo,hydroxyl
176075,Substitute a hydroxyl in the molecule CCOC[C@]1(O)C[C@H](C)CC(C)(C)C1 with halo.,CCOC[C@]1(O)C[C@H](C)CC(C)(C)C1,hydroxyl,halo
211124,Please replace a halo in the molecule Cc1ccc(NC(=O)C[NH+](C)Cc2cccs2)cc1Cl with nitrile.,Cc1ccc(NC(=O)C[NH+](C)Cc2cccs2)cc1Cl,halo,nitrile
88974,Modify the molecule CN(CCO)S(=O)(=O)c1ccc(Br)cc1N by replacing a hydroxyl by nitro.,CN(CCO)S(=O)(=O)c1ccc(Br)cc1N,hydroxyl,nitro
121289,Modify the molecule CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\Nc1cccc(Br)c1 by substituting a halo with thiol.,CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\Nc1cccc(Br)c1,halo,thiol
110591,Replace a halo in the molecule CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 by carboxyl.,CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1,halo,carboxyl
88757,Replace a halo in the molecule COCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Br)cc1 by carboxyl.,COCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Br)cc1,halo,carboxyl
152249,Please replace a halo in the molecule COC[C@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl with thiol.,COC[C@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl,halo,thiol
222327,Please replace a halo in the molecule CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 with nitro.,CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1,halo,nitro
185376,Modify the molecule CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccc(Br)cc2)=CC1=O by substituting a halo with carboxyl.,CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccc(Br)cc2)=CC1=O,halo,carboxyl
64540,Replace a hydroxyl in the molecule C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](O)C2)o1 by nitrile.,C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](O)C2)o1,hydroxyl,nitrile
207798,Please replace a halo in the molecule O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1 with aldehyde.,O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1,halo,aldehyde
48640,Modify the molecule Cc1nc(C[C@@H]2CCC[NH+](Cc3c(Cl)nc4sccn34)C2)no1 by replacing a halo by carboxyl.,Cc1nc(C[C@@H]2CCC[NH+](Cc3c(Cl)nc4sccn34)C2)no1,halo,carboxyl
6859,Please replace a hydroxyl in the molecule COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 with nitrile.,COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1,hydroxyl,nitrile
108870,Substitute a halo in the molecule CCOC(=O)N[C@H](SC)C(Cl)(Cl)Cl with carboxyl.,CCOC(=O)N[C@H](SC)C(Cl)(Cl)Cl,halo,carboxyl
134985,Replace a halo in the molecule O=C([O-])Cn1c(O)c(/N=N/C(=O)c2ccc(Cl)cc2Cl)c2ccccc21 by thiol.,O=C([O-])Cn1c(O)c(/N=N/C(=O)c2ccc(Cl)cc2Cl)c2ccccc21,halo,thiol
86748,Please substitute a hydroxyl in the molecule CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C by aldehyde.,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,hydroxyl,aldehyde
37280,Please substitute a nitrile in the molecule N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 by thiol.,N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1,nitrile,thiol
78822,Please replace a nitrile in the molecule COc1cc(C#N)ccc1OCc1cc(Cl)ccn1 with hydroxyl.,COc1cc(C#N)ccc1OCc1cc(Cl)ccn1,nitrile,hydroxyl
139814,Please replace a hydroxyl in the molecule CC[C@H]1COCCN1C(=O)c1csc(C#CCO)c1 with thiol.,CC[C@H]1COCCN1C(=O)c1csc(C#CCO)c1,hydroxyl,thiol
57055,Replace a halo in the molecule CCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1 by thiol.,CCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1,halo,thiol
124040,Modify the molecule COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 by replacing a nitrile by aldehyde.,COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1,nitrile,aldehyde
210128,Please replace a nitrile in the molecule N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 with halo.,N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,nitrile,halo
52317,Please replace a halo in the molecule Cc1ccc(F)c(CN2CCC(=O)NC[C@H]2C)c1Cl with aldehyde.,Cc1ccc(F)c(CN2CCC(=O)NC[C@H]2C)c1Cl,halo,aldehyde
49386,Please replace a halo in the molecule CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4F)o3)sc2c1 with carboxyl.,CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4F)o3)sc2c1,halo,carboxyl
69600,Substitute a hydroxyl in the molecule COc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)cc1OCCO with thiol.,COc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)cc1OCCO,hydroxyl,thiol
224342,Replace a nitro in the molecule O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 by hydroxyl.,O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1,nitro,hydroxyl
152550,Replace a nitrile in the molecule C[C@H](NC(=O)c1cccc(CC#N)c1)C(C)(C)C[NH+](C)C by halo.,C[C@H](NC(=O)c1cccc(CC#N)c1)C(C)(C)C[NH+](C)C,nitrile,halo
85791,Replace a halo in the molecule Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)CC2)on1 by thiol.,Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)CC2)on1,halo,thiol
60203,Substitute a halo in the molecule COc1cc(C[NH+](CCO)Cc2cccnc2)c(Br)cc1O with nitro.,COc1cc(C[NH+](CCO)Cc2cccnc2)c(Br)cc1O,halo,nitro
141714,Please replace a hydroxyl in the molecule O=C(CC1CCS(=O)(=O)CC1)N1CCC2(CC1)OCCC[C@@H]2O with aldehyde.,O=C(CC1CCS(=O)(=O)CC1)N1CCC2(CC1)OCCC[C@@H]2O,hydroxyl,aldehyde
9612,Please substitute a nitrile in the molecule Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1 by hydroxyl.,Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1,nitrile,hydroxyl
229480,Modify the molecule O=Cc1ccc(Br)nc1 by substituting a aldehyde with nitro.,O=Cc1ccc(Br)nc1,aldehyde,nitro
196425,Modify the molecule CC(=O)Nc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[NH+]3C)cc1 by replacing a halo by carboxyl.,CC(=O)Nc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[NH+]3C)cc1,halo,carboxyl
80121,Modify the molecule O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 by substituting a halo with aldehyde.,O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1,halo,aldehyde
95898,Modify the molecule Cc1ncc2c(n1)C[NH+](Cc1cc(Cl)c3c(c1)OCCO3)CC2 by substituting a halo with aldehyde.,Cc1ncc2c(n1)C[NH+](Cc1cc(Cl)c3c(c1)OCCO3)CC2,halo,aldehyde
22674,Modify the molecule CCC(CC)N(CC[NH3+])c1ncc(Cl)cc1F by substituting a halo with hydroxyl.,CCC(CC)N(CC[NH3+])c1ncc(Cl)cc1F,halo,hydroxyl
151613,Substitute a halo in the molecule COc1cc(C[NH+]2CCC[C@@H]2c2nncn2C)ccc1F with aldehyde.,COc1cc(C[NH+]2CCC[C@@H]2c2nncn2C)ccc1F,halo,aldehyde
5761,Modify the molecule CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1OC(F)(F)F by replacing a halo by thiol.,CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1OC(F)(F)F,halo,thiol
41368,Modify the molecule CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl by substituting a halo with carboxyl.,CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl,halo,carboxyl
106736,Modify the molecule COc1ccc(C(F)(F)F)cc1 by replacing a halo by nitro.,COc1ccc(C(F)(F)F)cc1,halo,nitro
35714,Modify the molecule CCCN(CC#N)Cn1ccc(=S)c2ccccc21 by replacing a nitrile by thiol.,CCCN(CC#N)Cn1ccc(=S)c2ccccc21,nitrile,thiol
123153,Modify the molecule O=Cc1cc(Cl)c2ccccc2c1OCc1nnsc1Cl by substituting a aldehyde with thiol.,O=Cc1cc(Cl)c2ccccc2c1OCc1nnsc1Cl,aldehyde,thiol
127209,Replace a halo in the molecule O=C(NCc1nnnn1-c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 by thiol.,O=C(NCc1nnnn1-c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1,halo,thiol
77563,Modify the molecule CCOc1nc(Nc2ccc(OC)c(F)c2)ccc1N by replacing a halo by carboxyl.,CCOc1nc(Nc2ccc(OC)c(F)c2)ccc1N,halo,carboxyl
170903,Please substitute a hydroxyl in the molecule COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 by aldehyde.,COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1,hydroxyl,aldehyde
126233,Substitute a halo in the molecule CCCN/C([S-])=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccccc1 with hydroxyl.,CCCN/C([S-])=C(/C(=O)c1ccc(Cl)cc1)[n+]1ccccc1,halo,hydroxyl
83733,Modify the molecule CC(C)NC(=O)C[C@@H](C#N)NCC(F)(F)F by substituting a halo with hydroxyl.,CC(C)NC(=O)C[C@@H](C#N)NCC(F)(F)F,halo,hydroxyl
247067,Please replace a halo in the molecule COc1ccc([C@H](C)NC(=O)c2cc(C(C)C)n(C)n2)cc1F with nitrile.,COc1ccc([C@H](C)NC(=O)c2cc(C(C)C)n(C)n2)cc1F,halo,nitrile
162038,Substitute a halo in the molecule Cc1c(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)oc2ccccc12 with thiol.,Cc1c(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)oc2ccccc12,halo,thiol
19921,Substitute a halo in the molecule Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 with nitro.,Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1,halo,nitro
187296,Modify the molecule Cc1cccc(OC[C@@H](O)CN2CCN(Cc3[nH+]ccn3C)CC2)c1 by replacing a hydroxyl by carboxyl.,Cc1cccc(OC[C@@H](O)CN2CCN(Cc3[nH+]ccn3C)CC2)c1,hydroxyl,carboxyl
179178,Modify the molecule CC[C@@H](CS)Cn1cnc2c(cnn2C)c1=O by replacing a thiol by carboxyl.,CC[C@@H](CS)Cn1cnc2c(cnn2C)c1=O,thiol,carboxyl
220517,Please replace a nitro in the molecule O=[N+]([O-])c1cnn(-c2nc(C3CC3)ns2)c1 with thiol.,O=[N+]([O-])c1cnn(-c2nc(C3CC3)ns2)c1,nitro,thiol
64209,Please substitute a halo in the molecule CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 by thiol.,CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1,halo,thiol
120354,Modify the molecule Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 by replacing a halo by hydroxyl.,Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1,halo,hydroxyl
110709,Modify the molecule CN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CN2CC[NH+]1CC2 by substituting a halo with thiol.,CN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CN2CC[NH+]1CC2,halo,thiol
171675,Please replace a halo in the molecule COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C with hydroxyl.,COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C,halo,hydroxyl
156768,Modify the molecule COc1cc2c(cc1OC)[C@H](C)[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC2 by replacing a halo by hydroxyl.,COc1cc2c(cc1OC)[C@H](C)[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC2,halo,hydroxyl
191394,Modify the molecule Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1F by replacing a halo by carboxyl.,Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1F,halo,carboxyl
19120,Please replace a hydroxyl in the molecule O=C(CS(=O)(=O)c1ccc(O)cc1)N1CCCc2ccccc21 with aldehyde.,O=C(CS(=O)(=O)c1ccc(O)cc1)N1CCCc2ccccc21,hydroxyl,aldehyde
104876,Please replace a halo in the molecule Cn1nccc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 with aldehyde.,Cn1nccc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1,halo,aldehyde
99208,Please substitute a halo in the molecule CN(C)Nc1ncnc(Nc2ccc(F)c(F)c2)c1N by nitro.,CN(C)Nc1ncnc(Nc2ccc(F)c(F)c2)c1N,halo,nitro
6763,Please replace a halo in the molecule CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 with hydroxyl.,CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1,halo,hydroxyl
62930,Substitute a halo in the molecule CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 with aldehyde.,CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(Cl)s1,halo,aldehyde
180690,Replace a hydroxyl in the molecule COc1cccc(C[NH+]2CCC[C@@H]2c2cc(C)on2)c1O by halo.,COc1cccc(C[NH+]2CCC[C@@H]2c2cc(C)on2)c1O,hydroxyl,halo
71342,Modify the molecule C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N(C)Cc1ccccc1 by replacing a nitrile by aldehyde.,C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N(C)Cc1ccccc1,nitrile,aldehyde
111795,Modify the molecule Cn1c(CNC(=O)Nc2cc(F)ccc2N2CCCCC2)n[nH]c1=S by replacing a halo by hydroxyl.,Cn1c(CNC(=O)Nc2cc(F)ccc2N2CCCCC2)n[nH]c1=S,halo,hydroxyl
92278,Replace a halo in the molecule COc1ccc2cc(C(=O)N3CC(OCc4ccccc4Cl)C3)[nH]c2c1 by hydroxyl.,COc1ccc2cc(C(=O)N3CC(OCc4ccccc4Cl)C3)[nH]c2c1,halo,hydroxyl
126793,Modify the molecule COc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 by substituting a halo with nitro.,COc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1,halo,nitro
214717,Modify the molecule Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 by substituting a halo with aldehyde.,Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1,halo,aldehyde
120523,Modify the molecule Cc1ccc(Cn2nc(C)c(C[NH2+]C(C)C)c2Cl)cc1 by replacing a halo by hydroxyl.,Cc1ccc(Cn2nc(C)c(C[NH2+]C(C)C)c2Cl)cc1,halo,hydroxyl
165106,Please substitute a hydroxyl in the molecule COC(O)(OC)c1ccc(C=O)cc1C by nitrile.,COC(O)(OC)c1ccc(C=O)cc1C,hydroxyl,nitrile
80271,Replace a nitrile in the molecule CN(CCC#N)C(=O)CC[NH+]1CCC[C@@H](c2cn[nH]c2)C1 by aldehyde.,CN(CCC#N)C(=O)CC[NH+]1CCC[C@@H](c2cn[nH]c2)C1,nitrile,aldehyde
152689,Please substitute a nitro in the molecule N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 by aldehyde.,N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1,nitro,aldehyde
156501,Modify the molecule CCC[C@H](O)c1ccn(Cc2cnn(CC)c2)c1 by replacing a hydroxyl by carboxyl.,CCC[C@H](O)c1ccn(Cc2cnn(CC)c2)c1,hydroxyl,carboxyl
187821,Substitute a halo in the molecule CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 with thiol.,CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1,halo,thiol
166491,Replace a halo in the molecule O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 by carboxyl.,O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1,halo,carboxyl
6997,Please substitute a halo in the molecule O=C(CC(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl by aldehyde.,O=C(CC(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl,halo,aldehyde
3695,Modify the molecule O=C(Nc1ccc(Br)cn1)[C@H]1CCCc2ccccc21 by substituting a halo with thiol.,O=C(Nc1ccc(Br)cn1)[C@H]1CCCc2ccccc21,halo,thiol
213689,Substitute a halo in the molecule O=C(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1F with nitro.,O=C(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1F,halo,nitro
131343,Modify the molecule CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cnccn1 by substituting a halo with nitro.,CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cnccn1,halo,nitro
196802,Replace a halo in the molecule O=C1N[C@H](c2ccc(F)c(-c3cccs3)c2)N2CCOC[C@@H]12 by aldehyde.,O=C1N[C@H](c2ccc(F)c(-c3cccs3)c2)N2CCOC[C@@H]12,halo,aldehyde
247848,Substitute a halo in the molecule Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F with aldehyde.,Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F,halo,aldehyde
225511,Please substitute a halo in the molecule C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccccc1Cl by nitro.,C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccccc1Cl,halo,nitro
212502,Modify the molecule C[NH2+][C@H]1COC[C@@H]1c1nc(-c2cc(F)cc(Br)c2)no1 by replacing a halo by aldehyde.,C[NH2+][C@H]1COC[C@@H]1c1nc(-c2cc(F)cc(Br)c2)no1,halo,aldehyde
230177,Please replace a nitrile in the molecule CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1 with nitro.,CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1,nitrile,nitro
40021,Substitute a halo in the molecule Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2F)cc1 with nitrile.,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2F)cc1,halo,nitrile
187477,Modify the molecule CSCCN(C#N)c1ccc(F)c(Cl)c1 by substituting a nitrile with carboxyl.,CSCCN(C#N)c1ccc(F)c(Cl)c1,nitrile,carboxyl
226188,Please replace a halo in the molecule COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1 with nitrile.,COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1,halo,nitrile
27088,Modify the molecule O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 by substituting a halo with aldehyde.,O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1,halo,aldehyde
156071,Substitute a hydroxyl in the molecule C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 with nitro.,C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1,hydroxyl,nitro
185348,Modify the molecule Cc1cccc(C)c1OCC(=O)N1CCC(O)CC1 by replacing a hydroxyl by halo.,Cc1cccc(C)c1OCC(=O)N1CCC(O)CC1,hydroxyl,halo
118811,Replace a nitro in the molecule Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(=O)[O-] by nitrile.,Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(=O)[O-],nitro,nitrile
180876,Modify the molecule CSc1nn(CN2CCCc3cc(C)cc(F)c32)c(=S)s1 by substituting a halo with carboxyl.,CSc1nn(CN2CCCc3cc(C)cc(F)c32)c(=S)s1,halo,carboxyl
173849,Please substitute a halo in the molecule Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 by nitro.,Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1,halo,nitro
50342,Replace a nitrile in the molecule CC1(C)CNCc2ccc(C#N)cc21 by aldehyde.,CC1(C)CNCc2ccc(C#N)cc21,nitrile,aldehyde
63662,Replace a halo in the molecule Cc1cccc(-c2noc(CN(C#N)c3ccc(F)c([N+](=O)[O-])c3)n2)c1 by aldehyde.,Cc1cccc(-c2noc(CN(C#N)c3ccc(F)c([N+](=O)[O-])c3)n2)c1,halo,aldehyde
139250,Modify the molecule O=CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 by replacing a nitro by hydroxyl.,O=CN1CCN(c2cccc([N+](=O)[O-])c2)CC1,nitro,hydroxyl
214333,Modify the molecule CC(C)C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1 by replacing a halo by carboxyl.,CC(C)C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1,halo,carboxyl
242394,Please substitute a halo in the molecule CC(C)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O by hydroxyl.,CC(C)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O,halo,hydroxyl
193773,Please substitute a halo in the molecule COc1ncccc1C(=O)Nc1cccc(F)c1 by thiol.,COc1ncccc1C(=O)Nc1cccc(F)c1,halo,thiol
8559,Please replace a halo in the molecule COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)[NH+](C)C)c1 with aldehyde.,COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)[NH+](C)C)c1,halo,aldehyde
109896,Modify the molecule O=C([O-])c1noc(-c2ccccc2C(F)(F)F)n1 by substituting a halo with aldehyde.,O=C([O-])c1noc(-c2ccccc2C(F)(F)F)n1,halo,aldehyde
170716,Replace a halo in the molecule COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccnc1Cl by nitro.,COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccnc1Cl,halo,nitro
35797,Modify the molecule Cc1cc2oc(=O)cc(COc3cccc([N+](=O)[O-])c3C)c2cc1Cl by replacing a nitro by nitrile.,Cc1cc2oc(=O)cc(COc3cccc([N+](=O)[O-])c3C)c2cc1Cl,nitro,nitrile
196143,Replace a halo in the molecule O=C(Nc1ccc2c(c1)CCC2)Nc1ccccc1F by nitrile.,O=C(Nc1ccc2c(c1)CCC2)Nc1ccccc1F,halo,nitrile
70008,Substitute a hydroxyl in the molecule O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1 with nitrile.,O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1,hydroxyl,nitrile
160402,Please replace a halo in the molecule Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 with thiol.,Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1,halo,thiol
62839,Modify the molecule C[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C by replacing a nitro by carboxyl.,C[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C,nitro,carboxyl
24859,Please replace a halo in the molecule COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(F)(F)F)c1)CO2 with hydroxyl.,COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(F)(F)F)c1)CO2,halo,hydroxyl
58702,Replace a hydroxyl in the molecule CC[NH2+]CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 by aldehyde.,CC[NH2+]CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1,hydroxyl,aldehyde
207280,Please substitute a nitro in the molecule CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1 by hydroxyl.,CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1,nitro,hydroxyl
43629,Modify the molecule O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 by substituting a halo with aldehyde.,O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1,halo,aldehyde
8930,Please replace a halo in the molecule Cc1cc(NC(=O)NNc2ccc(Cl)nn2)c2ncccc2c1 with nitrile.,Cc1cc(NC(=O)NNc2ccc(Cl)nn2)c2ncccc2c1,halo,nitrile
120267,Please substitute a nitro in the molecule Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2ccnn2)c1 by nitrile.,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2ccnn2)c1,nitro,nitrile
17176,Substitute a halo in the molecule CCCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)n1N with hydroxyl.,CCCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)n1N,halo,hydroxyl
201951,Replace a halo in the molecule CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1nc2ccc(Br)cn2n1 by nitro.,CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1nc2ccc(Br)cn2n1,halo,nitro
130524,Please substitute a halo in the molecule CCO[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1 by nitro.,CCO[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1,halo,nitro
211313,Substitute a halo in the molecule O=C(NCc1csc(Br)c1)Nc1ccncc1 with carboxyl.,O=C(NCc1csc(Br)c1)Nc1ccncc1,halo,carboxyl
113583,Please replace a hydroxyl in the molecule O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2n[nH]c(-c3ccc(-c4ccccc4)cc3)c2C1 with aldehyde.,O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2n[nH]c(-c3ccc(-c4ccccc4)cc3)c2C1,hydroxyl,aldehyde
115299,Substitute a halo in the molecule O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)ccc(Cl)c1Cl with nitro.,O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)ccc(Cl)c1Cl,halo,nitro
91616,Replace a hydroxyl in the molecule CCNC(=O)C1CC[NH+](C[C@H](O)c2cc(C)ccc2C)CC1 by nitro.,CCNC(=O)C1CC[NH+](C[C@H](O)c2cc(C)ccc2C)CC1,hydroxyl,nitro
7024,Please substitute a halo in the molecule C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCOCC2)cc1Cl by nitro.,C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCOCC2)cc1Cl,halo,nitro
73418,Modify the molecule O=C(Cc1cccc(Cl)c1)NC[C@H](CCO)c1ccccc1 by substituting a halo with nitro.,O=C(Cc1cccc(Cl)c1)NC[C@H](CCO)c1ccccc1,halo,nitro
114033,Replace a halo in the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1 by nitro.,O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1,halo,nitro
242224,Substitute a halo in the molecule O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1C[C@H]2CCCC[C@@H]2C1 with nitro.,O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1C[C@H]2CCCC[C@@H]2C1,halo,nitro
169427,Modify the molecule CC[C@@H]1C[NH+](CCCCC#N)CCN1C[C@@H](C)O by substituting a hydroxyl with nitro.,CC[C@@H]1C[NH+](CCCCC#N)CCN1C[C@@H](C)O,hydroxyl,nitro
21747,Modify the molecule COCCC(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 by replacing a halo by hydroxyl.,COCCC(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1,halo,hydroxyl
190508,Modify the molecule CCOc1ccccc1NC(=O)[C@@](C)(N)C(F)(F)F by replacing a halo by hydroxyl.,CCOc1ccccc1NC(=O)[C@@](C)(N)C(F)(F)F,halo,hydroxyl
153188,Substitute a hydroxyl in the molecule CC(=O)Nc1ccc2c(C(=O)[O-])c(C)c(O)nc2n1 with nitro.,CC(=O)Nc1ccc2c(C(=O)[O-])c(C)c(O)nc2n1,hydroxyl,nitro
52138,Modify the molecule CC(C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 by replacing a hydroxyl by carboxyl.,CC(C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1,hydroxyl,carboxyl
247650,Substitute a nitro in the molecule CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br with aldehyde.,CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br,nitro,aldehyde
62362,Please substitute a hydroxyl in the molecule CC[C@@H]1CCC[NH+]1[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 by nitrile.,CC[C@@H]1CCC[NH+]1[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1,hydroxyl,nitrile
6403,Please substitute a hydroxyl in the molecule O=C(NC[C@@H]1CC[NH+](Cc2cccc(O)c2)C1)c1cc2ccccc2[nH]1 by nitro.,O=C(NC[C@@H]1CC[NH+](Cc2cccc(O)c2)C1)c1cc2ccccc2[nH]1,hydroxyl,nitro
134223,Replace a halo in the molecule Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1 by hydroxyl.,Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1,halo,hydroxyl
20045,Replace a halo in the molecule O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1F by carboxyl.,O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1F,halo,carboxyl
22469,Substitute a halo in the molecule Cc1cccc2cc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc12 with carboxyl.,Cc1cccc2cc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc12,halo,carboxyl
19830,Modify the molecule CC1=NN(Cc2ccccc2Cl)C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12 by substituting a halo with aldehyde.,CC1=NN(Cc2ccccc2Cl)C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12,halo,aldehyde
100586,Modify the molecule C=CCNC(=S)NNC(=O)c1cc(F)cc(F)c1 by replacing a halo by hydroxyl.,C=CCNC(=S)NNC(=O)c1cc(F)cc(F)c1,halo,hydroxyl
124563,Modify the molecule O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21 by substituting a halo with aldehyde.,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21,halo,aldehyde
121089,Please replace a halo in the molecule COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2Br)cc1 with thiol.,COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2Br)cc1,halo,thiol
73483,Modify the molecule O=C(CSc1nnc(COc2ccccc2Cl)o1)NN1C(=O)NC2(CCCCC2)C1=O by substituting a halo with nitrile.,O=C(CSc1nnc(COc2ccccc2Cl)o1)NN1C(=O)NC2(CCCCC2)C1=O,halo,nitrile
216936,Please replace a halo in the molecule O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 with nitrile.,O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1,halo,nitrile
108278,Replace a halo in the molecule C/C(=C\c1ccc(Br)cc1)C[NH2+]C(C)C by carboxyl.,C/C(=C\c1ccc(Br)cc1)C[NH2+]C(C)C,halo,carboxyl
22394,Please substitute a halo in the molecule CC[C@@H](CNC(=O)N1CCC(CO)CC1)Oc1cccc(C(F)(F)F)c1 by aldehyde.,CC[C@@H](CNC(=O)N1CCC(CO)CC1)Oc1cccc(C(F)(F)F)c1,halo,aldehyde
151802,Substitute a halo in the molecule Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1Cl with carboxyl.,Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1Cl,halo,carboxyl
242697,Modify the molecule COC1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 by substituting a halo with carboxyl.,COC1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1,halo,carboxyl
51717,Substitute a halo in the molecule O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 with thiol.,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1,halo,thiol
57790,Please substitute a nitrile in the molecule COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 by thiol.,COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1,nitrile,thiol
86912,Please substitute a halo in the molecule C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1 by nitro.,C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1,halo,nitro
20738,Substitute a halo in the molecule FC1(F)O[C@H]2C=CC=C[C@@H]2OC1(F)F with hydroxyl.,FC1(F)O[C@H]2C=CC=C[C@@H]2OC1(F)F,halo,hydroxyl
223171,Please replace a halo in the molecule N/C(=N/OCc1c(Cl)cccc1Cl)c1cccs1 with nitro.,N/C(=N/OCc1c(Cl)cccc1Cl)c1cccs1,halo,nitro
134733,Please substitute a halo in the molecule Cc1ccc([C@@H]2C[NH2+]CC[C@@H]2c2c(F)cccc2F)cc1 by nitro.,Cc1ccc([C@@H]2C[NH2+]CC[C@@H]2c2c(F)cccc2F)cc1,halo,nitro
142748,Modify the molecule C[C@@H]1[C@@H](C(=O)[O-])CC[NH+]1Cc1c(F)cccc1Cl by substituting a halo with aldehyde.,C[C@@H]1[C@@H](C(=O)[O-])CC[NH+]1Cc1c(F)cccc1Cl,halo,aldehyde
179910,Substitute a hydroxyl in the molecule Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(O)c1 with nitro.,Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(O)c1,hydroxyl,nitro
194239,Modify the molecule CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 by replacing a halo by thiol.,CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1,halo,thiol
13888,Modify the molecule Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3C[C@H]3C)CC1)N2 by replacing a halo by aldehyde.,Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3C[C@H]3C)CC1)N2,halo,aldehyde
160079,Please replace a nitrile in the molecule N#Cc1ccc(C[NH+]2CCC(OCCCO)CC2)o1 with nitro.,N#Cc1ccc(C[NH+]2CCC(OCCCO)CC2)o1,nitrile,nitro
240054,Modify the molecule Cc1cccc([C@@H](O)c2ccccc2C2CC2)c1 by replacing a hydroxyl by halo.,Cc1cccc([C@@H](O)c2ccccc2C2CC2)c1,hydroxyl,halo
70532,Please replace a hydroxyl in the molecule Cc1cccc(-c2ccccc2O)c1C(=O)[O-] with nitro.,Cc1cccc(-c2ccccc2O)c1C(=O)[O-],hydroxyl,nitro
1665,Replace a nitro in the molecule O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc2ccccc2n1 by thiol.,O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc2ccccc2n1,nitro,thiol
168284,Please replace a halo in the molecule COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n2C)cc1 with aldehyde.,COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n2C)cc1,halo,aldehyde
218614,Please substitute a hydroxyl in the molecule COc1cccc(N2C(=O)N=C([O-])/C(=C\c3ccc(OC)c(O)c3)C2=O)c1 by thiol.,COc1cccc(N2C(=O)N=C([O-])/C(=C\c3ccc(OC)c(O)c3)C2=O)c1,hydroxyl,thiol
188226,Please replace a nitro in the molecule COc1ccccc1OCc1ccc([N+](=O)[O-])c(N)c1 with hydroxyl.,COc1ccccc1OCc1ccc([N+](=O)[O-])c(N)c1,nitro,hydroxyl
66105,Please substitute a nitrile in the molecule COc1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc(OC)c1C by carboxyl.,COc1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc(OC)c1C,nitrile,carboxyl
87376,Modify the molecule CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccnc(F)c3)cc2)cc1 by substituting a halo with thiol.,CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccnc(F)c3)cc2)cc1,halo,thiol
92948,Replace a nitrile in the molecule C[NH+](C)CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1 by carboxyl.,C[NH+](C)CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1,nitrile,carboxyl
239771,Please substitute a hydroxyl in the molecule C[C@@H]1C[C@](O)(Cc2ccccc2)CS1 by nitrile.,C[C@@H]1C[C@](O)(Cc2ccccc2)CS1,hydroxyl,nitrile
65780,Modify the molecule C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)cc([N+](=O)[O-])c2)CC1 by replacing a nitro by halo.,C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)cc([N+](=O)[O-])c2)CC1,nitro,halo
112316,Modify the molecule COc1ccccc1C(=O)OCC(=O)NCC(F)(F)F by substituting a halo with nitro.,COc1ccccc1C(=O)OCC(=O)NCC(F)(F)F,halo,nitro
114453,Replace a halo in the molecule C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 by nitrile.,C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1,halo,nitrile
49364,Replace a halo in the molecule CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 by nitro.,CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1,halo,nitro
106975,Please substitute a aldehyde in the molecule Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 by hydroxyl.,Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccccc2)cc1,aldehyde,hydroxyl
144385,Please replace a halo in the molecule O=C1C2=C3CCC[C@@H]3SC2=NC(=S)N1c1ccc(Cl)cc1 with thiol.,O=C1C2=C3CCC[C@@H]3SC2=NC(=S)N1c1ccc(Cl)cc1,halo,thiol
104789,Modify the molecule O=C(CCc1cc(Cl)no1)N1CCC[C@@](O)(CO)C1 by replacing a hydroxyl by nitro.,O=C(CCc1cc(Cl)no1)N1CCC[C@@](O)(CO)C1,hydroxyl,nitro
121634,Modify the molecule CCc1cc(Oc2cc(N(C)C)ccc2[N+](=O)[O-])n2ncnc2n1 by substituting a nitro with aldehyde.,CCc1cc(Oc2cc(N(C)C)ccc2[N+](=O)[O-])n2ncnc2n1,nitro,aldehyde
58986,Modify the molecule O=C(NCCc1ccccc1F)N1CCCCCC1 by substituting a halo with nitrile.,O=C(NCCc1ccccc1F)N1CCCCCC1,halo,nitrile
99260,Please replace a halo in the molecule Cc1nc(-c2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)n[nH]1 with nitrile.,Cc1nc(-c2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)n[nH]1,halo,nitrile
2830,Please substitute a halo in the molecule C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(C(F)(F)F)n1 by thiol.,C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(C(F)(F)F)n1,halo,thiol
55970,Modify the molecule O=C(NC[C@H](O)Cc1ccccc1)Nc1cnn(-c2ncccn2)c1 by replacing a hydroxyl by aldehyde.,O=C(NC[C@H](O)Cc1ccccc1)Nc1cnn(-c2ncccn2)c1,hydroxyl,aldehyde
56698,Please substitute a halo in the molecule N#Cc1cccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 by hydroxyl.,N#Cc1cccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1,halo,hydroxyl
138098,Please substitute a halo in the molecule C/C=C/COC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 by aldehyde.,C/C=C/COC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1,halo,aldehyde
87595,Modify the molecule COC1CC[NH+](CCNC(=O)Nc2cccc(Br)c2C)CC1 by replacing a halo by carboxyl.,COC1CC[NH+](CCNC(=O)Nc2cccc(Br)c2C)CC1,halo,carboxyl
54857,Please replace a aldehyde in the molecule CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C=O)c2)cc1 with halo.,CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C=O)c2)cc1,aldehyde,halo
82810,Substitute a nitro in the molecule O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1 with aldehyde.,O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1,nitro,aldehyde
199282,Modify the molecule CC[C@H](CCO)CNc1nnnn1C by replacing a hydroxyl by halo.,CC[C@H](CCO)CNc1nnnn1C,hydroxyl,halo
76823,Replace a nitro in the molecule CC(=O)N1CCc2c(C)c(Br)c(C)c([N+](=O)[O-])c21 by aldehyde.,CC(=O)N1CCc2c(C)c(Br)c(C)c([N+](=O)[O-])c21,nitro,aldehyde
248642,Modify the molecule C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn(C)c1=O by substituting a nitro with thiol.,C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn(C)c1=O,nitro,thiol
53161,Please substitute a hydroxyl in the molecule CS[C@H](CO)[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 by thiol.,CS[C@H](CO)[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12,hydroxyl,thiol
34012,Modify the molecule Cc1nc(C[C@H]2CCC[NH+](Cc3cc(C(F)(F)F)ccc3F)C2)no1 by substituting a halo with aldehyde.,Cc1nc(C[C@H]2CCC[NH+](Cc3cc(C(F)(F)F)ccc3F)C2)no1,halo,aldehyde
139289,Replace a halo in the molecule C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 by thiol.,C[C@@H]1CCC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1,halo,thiol
119217,Replace a halo in the molecule Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)on1 by aldehyde.,Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)on1,halo,aldehyde
238895,Modify the molecule N#Cc1nccnc1N(CC(=O)[O-])CC(F)(F)F by replacing a halo by aldehyde.,N#Cc1nccnc1N(CC(=O)[O-])CC(F)(F)F,halo,aldehyde
4780,Modify the molecule O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 by replacing a halo by nitro.,O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1,halo,nitro
50697,Please replace a halo in the molecule Cc1cccc(OCCCC(=O)Nc2cccc(F)c2)c1 with thiol.,Cc1cccc(OCCCC(=O)Nc2cccc(F)c2)c1,halo,thiol
201651,Please substitute a halo in the molecule CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 by carboxyl.,CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1,halo,carboxyl
235844,Please substitute a halo in the molecule O=C1C(=O)N(CC[NH2+]C2CC2)c2c(F)cccc21 by carboxyl.,O=C1C(=O)N(CC[NH2+]C2CC2)c2c(F)cccc21,halo,carboxyl
162729,Please substitute a halo in the molecule C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 by thiol.,C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1,halo,thiol
53975,Modify the molecule C[C@@H](CCO)N(Cc1ccccc1)c1ncccc1C#N by substituting a nitrile with nitro.,C[C@@H](CCO)N(Cc1ccccc1)c1ncccc1C#N,nitrile,nitro
72328,Modify the molecule O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl by replacing a halo by nitro.,O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl,halo,nitro
225136,Please substitute a halo in the molecule Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl by hydroxyl.,Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl,halo,hydroxyl
14402,Substitute a halo in the molecule Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)c2)no1 with nitrile.,Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)c2)no1,halo,nitrile
22356,Modify the molecule C/[NH+]=C(/NCc1cc(C)on1)NCc1cc(Br)cs1 by substituting a halo with aldehyde.,C/[NH+]=C(/NCc1cc(C)on1)NCc1cc(Br)cs1,halo,aldehyde
196359,Please substitute a halo in the molecule O=C1NC2(CCCC2)C(=O)N1Cc1noc(-c2ccc(Cl)cc2)n1 by aldehyde.,O=C1NC2(CCCC2)C(=O)N1Cc1noc(-c2ccc(Cl)cc2)n1,halo,aldehyde
123965,Substitute a nitro in the molecule CCc1ccc(N[C@@H]2CCN(C3CC3)C2=O)cc1[N+](=O)[O-] with carboxyl.,CCc1ccc(N[C@@H]2CCN(C3CC3)C2=O)cc1[N+](=O)[O-],nitro,carboxyl
244425,Please replace a halo in the molecule CC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(OC)cc1 with nitro.,CC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(OC)cc1,halo,nitro
245563,Replace a halo in the molecule COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1F by nitrile.,COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1F,halo,nitrile
197636,Replace a nitro in the molecule C[C@H]1C[C@@H](C)C[NH+](Cc2c(O)ccc3c2O/C(=C/c2cccc([N+](=O)[O-])c2)C3=O)C1 by carboxyl.,C[C@H]1C[C@@H](C)C[NH+](Cc2c(O)ccc3c2O/C(=C/c2cccc([N+](=O)[O-])c2)C3=O)C1,nitro,carboxyl
61799,Replace a hydroxyl in the molecule CC[C@H](O)Cn1nc(-c2ccncc2)nc1CCN1Cc2ccccc2C1=O by aldehyde.,CC[C@H](O)Cn1nc(-c2ccncc2)nc1CCN1Cc2ccccc2C1=O,hydroxyl,aldehyde
157471,Replace a hydroxyl in the molecule Cc1cc(C)c(O)c(C(=O)Nc2ccnn2C(C)C)c1 by thiol.,Cc1cc(C)c(O)c(C(=O)Nc2ccnn2C(C)C)c1,hydroxyl,thiol
77209,Replace a hydroxyl in the molecule O=C(C[C@H](O)c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 by aldehyde.,O=C(C[C@H](O)c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1,hydroxyl,aldehyde
6598,Please replace a nitro in the molecule CC(=O)c1cccc(SCc2ccc([N+](=O)[O-])c(F)c2)c1 with aldehyde.,CC(=O)c1cccc(SCc2ccc([N+](=O)[O-])c(F)c2)c1,nitro,aldehyde
73541,Modify the molecule C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1c[nH]c2cc(Cl)ccc12 by replacing a halo by thiol.,C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1c[nH]c2cc(Cl)ccc12,halo,thiol
188436,Please substitute a halo in the molecule C[C@H]1CC(C(=O)NC2(c3ccccc3F)CC2)C[C@@H](C)O1 by nitro.,C[C@H]1CC(C(=O)NC2(c3ccccc3F)CC2)C[C@@H](C)O1,halo,nitro
84400,Substitute a halo in the molecule CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)cc1OCC with nitrile.,CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)cc1OCC,halo,nitrile
148219,Modify the molecule Cc1ccc(N2CCC[C@H](O)C2)[nH+]c1 by replacing a hydroxyl by nitro.,Cc1ccc(N2CCC[C@H](O)C2)[nH+]c1,hydroxyl,nitro
4770,Please replace a halo in the molecule O=C(NCCCN1CCOCC1)C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1 with aldehyde.,O=C(NCCCN1CCOCC1)C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1,halo,aldehyde
193950,Substitute a nitrile in the molecule C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1 with carboxyl.,C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1,nitrile,carboxyl
44277,Modify the molecule C[C@@H](NC(=O)[C@@H](C)[n+]1cccc([O-])c1)c1ccc(Cl)cc1 by replacing a halo by nitrile.,C[C@@H](NC(=O)[C@@H](C)[n+]1cccc([O-])c1)c1ccc(Cl)cc1,halo,nitrile
33314,Replace a halo in the molecule Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1 by thiol.,Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1,halo,thiol
34497,Modify the molecule Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 by substituting a halo with nitro.,Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1,halo,nitro
120982,Replace a halo in the molecule Cc1nc(C(F)(F)F)nc(N2CCN[C@H](C(=O)NC3CC3)C2)c1C by carboxyl.,Cc1nc(C(F)(F)F)nc(N2CCN[C@H](C(=O)NC3CC3)C2)c1C,halo,carboxyl
141328,Modify the molecule CC(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CO by substituting a hydroxyl with aldehyde.,CC(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CO,hydroxyl,aldehyde
167569,Please substitute a hydroxyl in the molecule CCOc1ccc(C(=S)N2CC[NH+](CCO)CC2)cc1 by nitrile.,CCOc1ccc(C(=S)N2CC[NH+](CCO)CC2)cc1,hydroxyl,nitrile
219844,Modify the molecule CNc1nc(CNc2ccc(OC(F)F)cn2)cs1 by substituting a halo with nitro.,CNc1nc(CNc2ccc(OC(F)F)cn2)cs1,halo,nitro
126560,Please substitute a halo in the molecule Cc1cccn2cc(CCNC(=O)C[C@H](O)c3cccc(F)c3)[nH+]c12 by carboxyl.,Cc1cccn2cc(CCNC(=O)C[C@H](O)c3cccc(F)c3)[nH+]c12,halo,carboxyl
98969,Substitute a halo in the molecule Fc1ccc(C[NH+]2CCC(NC3CCSCC3)CC2)cc1 with nitro.,Fc1ccc(C[NH+]2CCC(NC3CCSCC3)CC2)cc1,halo,nitro
9296,Substitute a hydroxyl in the molecule CC[NH+](CC)CC[C@@H](O)Cc1cccc(Cl)c1 with halo.,CC[NH+](CC)CC[C@@H](O)Cc1cccc(Cl)c1,hydroxyl,halo
73340,Replace a halo in the molecule COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)c(OC)c1 by nitrile.,COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)c(OC)c1,halo,nitrile
173440,Please replace a halo in the molecule C[C@H](c1ccccc1)[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl with carboxyl.,C[C@H](c1ccccc1)[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl,halo,carboxyl
201291,Replace a halo in the molecule Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 by hydroxyl.,Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1,halo,hydroxyl
134416,Please substitute a nitro in the molecule CC1(CNc2ccc([N+](=O)[O-])c(N)n2)CCCC1 by halo.,CC1(CNc2ccc([N+](=O)[O-])c(N)n2)CCCC1,nitro,halo
181856,Modify the molecule COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)c(Cl)c3)CC2)cc1 by substituting a halo with carboxyl.,COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)c(Cl)c3)CC2)cc1,halo,carboxyl
130760,Please replace a halo in the molecule CC[S@](=O)CC(=O)N(CC(F)(F)F)C(C)C with hydroxyl.,CC[S@](=O)CC(=O)N(CC(F)(F)F)C(C)C,halo,hydroxyl
16648,Please replace a nitro in the molecule Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c(N)c([N+](=O)[O-])c1 with hydroxyl.,Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c(N)c([N+](=O)[O-])c1,nitro,hydroxyl
119153,Please substitute a hydroxyl in the molecule CC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCC2 by thiol.,CC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCC2,hydroxyl,thiol
51186,Modify the molecule CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(OC(F)(F)F)cc1 by replacing a halo by carboxyl.,CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(OC(F)(F)F)cc1,halo,carboxyl
205481,Modify the molecule C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1 by substituting a nitrile with carboxyl.,C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1,nitrile,carboxyl
58268,Substitute a halo in the molecule COc1ncnc(N)c1C[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 with hydroxyl.,COc1ncnc(N)c1C[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1,halo,hydroxyl
53372,Substitute a halo in the molecule O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(F)cc1 with aldehyde.,O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(F)cc1,halo,aldehyde
148622,Modify the molecule CC(=O)[C@H](C)C[C@@](C)(O)c1ccccc1 by substituting a hydroxyl with halo.,CC(=O)[C@H](C)C[C@@](C)(O)c1ccccc1,hydroxyl,halo
119325,Modify the molecule C[C@H]1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H](C)O1 by replacing a nitrile by carboxyl.,C[C@H]1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H](C)O1,nitrile,carboxyl
121432,Replace a halo in the molecule COC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 by nitro.,COC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2,halo,nitro
49098,Substitute a hydroxyl in the molecule CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)C(C)C with thiol.,CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)C(C)C,hydroxyl,thiol
170612,Please replace a halo in the molecule O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 with nitro.,O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(F)c(Cl)c1,halo,nitro
195817,Replace a nitro in the molecule O=[N+]([O-])c1cccc(C=C(Cl)Cl)c1 by carboxyl.,O=[N+]([O-])c1cccc(C=C(Cl)Cl)c1,nitro,carboxyl
23884,Modify the molecule Cc1csc(C[C@@H](CO)c2ccccc2Cl)n1 by substituting a halo with aldehyde.,Cc1csc(C[C@@H](CO)c2ccccc2Cl)n1,halo,aldehyde
71544,Replace a nitro in the molecule CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C by thiol.,CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C,nitro,thiol
9771,Modify the molecule CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 by replacing a nitro by thiol.,CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1,nitro,thiol
193592,Please replace a nitrile in the molecule Cc1ccc(C)c(-n2nnnc2Sc2cccc(Cl)c2C#N)c1 with aldehyde.,Cc1ccc(C)c(-n2nnnc2Sc2cccc(Cl)c2C#N)c1,nitrile,aldehyde
22487,Replace a halo in the molecule COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](N3CCOCC3)C[C@@H](c3ccccc3F)[NH+]12 by carboxyl.,COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](N3CCOCC3)C[C@@H](c3ccccc3F)[NH+]12,halo,carboxyl
68386,Modify the molecule C[C@](O)(CCc1ccccc1)CNC(=O)C1(c2cccs2)CCCC1 by substituting a hydroxyl with nitro.,C[C@](O)(CCc1ccccc1)CNC(=O)C1(c2cccs2)CCCC1,hydroxyl,nitro
97725,Modify the molecule O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 by replacing a halo by nitrile.,O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1,halo,nitrile
97344,Please substitute a nitrile in the molecule CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 by nitro.,CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1,nitrile,nitro
16876,Please replace a halo in the molecule O=C(CSC1=NC(=O)[C@H](/C=C/c2ccccc2)N=N1)Nc1ccc(Cl)cc1 with nitrile.,O=C(CSC1=NC(=O)[C@H](/C=C/c2ccccc2)N=N1)Nc1ccc(Cl)cc1,halo,nitrile
23835,Substitute a halo in the molecule Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(Cc2ccccn2)n1 with nitrile.,Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(Cc2ccccn2)n1,halo,nitrile
39745,Replace a halo in the molecule Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCOCC1 by nitro.,Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCOCC1,halo,nitro
171331,Please replace a halo in the molecule Brc1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1 with nitro.,Brc1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1,halo,nitro
162273,Please substitute a halo in the molecule Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)s1 by nitro.,Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)s1,halo,nitro
39289,Please substitute a halo in the molecule CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(F)cc(F)c3)ccc21 by nitro.,CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(F)cc(F)c3)ccc21,halo,nitro
244253,Replace a halo in the molecule CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 by nitrile.,CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21,halo,nitrile
26803,Modify the molecule O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 by substituting a halo with nitrile.,O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1,halo,nitrile
188626,Modify the molecule Cc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c(O)c1C by substituting a hydroxyl with carboxyl.,Cc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c(O)c1C,hydroxyl,carboxyl
36313,Please replace a halo in the molecule Cc1ccc(F)c(NC(=O)[C@H](C)n2cc(Br)cn2)c1 with hydroxyl.,Cc1ccc(F)c(NC(=O)[C@H](C)n2cc(Br)cn2)c1,halo,hydroxyl
125470,Substitute a halo in the molecule CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2F)C1 with nitro.,CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2F)C1,halo,nitro
233318,Modify the molecule O=c1sc2c(n1Cc1cnc(Cl)s1)CCCCC2 by substituting a halo with nitro.,O=c1sc2c(n1Cc1cnc(Cl)s1)CCCCC2,halo,nitro
30617,Please substitute a halo in the molecule C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1 by hydroxyl.,C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1,halo,hydroxyl
136448,Substitute a halo in the molecule CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 with carboxyl.,CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1,halo,carboxyl
150462,Modify the molecule Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3ccccc3Cl)nc2c1 by substituting a halo with carboxyl.,Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3ccccc3Cl)nc2c1,halo,carboxyl
27987,Modify the molecule C/C(=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1 by substituting a halo with carboxyl.,C/C(=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1,halo,carboxyl
135139,Replace a halo in the molecule O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 by thiol.,O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[C@@H]1CCSC1,halo,thiol
89378,Substitute a halo in the molecule CNC(=O)COC(=O)[C@H](C)Sc1ccccc1Cl with hydroxyl.,CNC(=O)COC(=O)[C@H](C)Sc1ccccc1Cl,halo,hydroxyl
21045,Modify the molecule O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 by replacing a hydroxyl by thiol.,O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1,hydroxyl,thiol
161941,Substitute a halo in the molecule CC[C@@H](CSC)N(C)C(=O)[C@@H]1Cc2cccc(F)c2O1 with nitrile.,CC[C@@H](CSC)N(C)C(=O)[C@@H]1Cc2cccc(F)c2O1,halo,nitrile
102789,Modify the molecule CC(C)c1ccc(-c2nn(CN(C)CC#N)c(=S)o2)cc1 by replacing a nitrile by aldehyde.,CC(C)c1ccc(-c2nn(CN(C)CC#N)c(=S)o2)cc1,nitrile,aldehyde
232660,Substitute a halo in the molecule O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 with carboxyl.,O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1,halo,carboxyl
215093,Please substitute a hydroxyl in the molecule Cc1c(O)ccc2c(CNc3ccc(NC(=O)C4CC4)cc3)cc(=O)oc12 by thiol.,Cc1c(O)ccc2c(CNc3ccc(NC(=O)C4CC4)cc3)cc(=O)oc12,hydroxyl,thiol
42105,Substitute a hydroxyl in the molecule Cc1cccc(OC[C@H](O)CNC(=O)c2n[nH]c(=O)c3ccccc23)c1 with nitrile.,Cc1cccc(OC[C@H](O)CNC(=O)c2n[nH]c(=O)c3ccccc23)c1,hydroxyl,nitrile
169442,Please substitute a halo in the molecule CC[S@@](=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 by hydroxyl.,CC[S@@](=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1,halo,hydroxyl
155023,Modify the molecule C[C@H]1C/C(=N\OC(=O)COc2ccc(Cl)cc2)[C@H](C)C[NH+]1C by substituting a halo with aldehyde.,C[C@H]1C/C(=N\OC(=O)COc2ccc(Cl)cc2)[C@H](C)C[NH+]1C,halo,aldehyde
101136,Please substitute a halo in the molecule C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 by nitrile.,C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1,halo,nitrile
153387,Please substitute a hydroxyl in the molecule O=C(CSc1cccc(F)c1)c1cc(F)ccc1O by carboxyl.,O=C(CSc1cccc(F)c1)c1cc(F)ccc1O,hydroxyl,carboxyl
173736,Modify the molecule CCC(=O)Nc1nc2c(OC)cc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2s1 by substituting a halo with hydroxyl.,CCC(=O)Nc1nc2c(OC)cc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2s1,halo,hydroxyl
28129,Please substitute a hydroxyl in the molecule C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O by halo.,C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O,hydroxyl,halo
47729,Please replace a halo in the molecule O=C(Nc1ccccc1OC(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 with carboxyl.,O=C(Nc1ccccc1OC(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1,halo,carboxyl
129581,Modify the molecule C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 by replacing a nitro by aldehyde.,C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1,nitro,aldehyde
97113,Substitute a halo in the molecule O=C1C(=O)N(CCOCC(F)(F)F)c2cc(F)c(Cl)cc21 with nitrile.,O=C1C(=O)N(CCOCC(F)(F)F)c2cc(F)c(Cl)cc21,halo,nitrile
246014,Modify the molecule Cc1cc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 by substituting a halo with thiol.,Cc1cc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1,halo,thiol
23758,Modify the molecule C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1 by replacing a hydroxyl by halo.,C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1,hydroxyl,halo
151982,Modify the molecule O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2ccc(Cl)cc2C1 by replacing a halo by aldehyde.,O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2ccc(Cl)cc2C1,halo,aldehyde
34606,Modify the molecule CC[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(Br)cc1 by substituting a halo with aldehyde.,CC[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(Br)cc1,halo,aldehyde
182759,Please replace a halo in the molecule COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\N=C(/C)c2ccc(F)cc2)NC1=O with nitro.,COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\N=C(/C)c2ccc(F)cc2)NC1=O,halo,nitro
170376,Substitute a halo in the molecule CCc1nn(C)cc1C(=O)N1CCc2sc(Br)cc2C1 with carboxyl.,CCc1nn(C)cc1C(=O)N1CCc2sc(Br)cc2C1,halo,carboxyl
196387,Please replace a hydroxyl in the molecule O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1O with nitrile.,O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1O,hydroxyl,nitrile
7783,Replace a hydroxyl in the molecule C[C@@H]1CCCN(C(=O)N2CCCC[C@@H]2CCO)C1 by thiol.,C[C@@H]1CCCN(C(=O)N2CCCC[C@@H]2CCO)C1,hydroxyl,thiol
59532,Substitute a halo in the molecule CC[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 with nitro.,CC[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1,halo,nitro
9362,Please replace a hydroxyl in the molecule CN(Cc1nc(C(F)(F)F)cs1)Cc1cccc(Br)c1O with halo.,CN(Cc1nc(C(F)(F)F)cs1)Cc1cccc(Br)c1O,hydroxyl,halo
84519,Please substitute a hydroxyl in the molecule CCc1cc(NC(=O)C(=O)NC[C@@](C)(O)[C@H](C)CC)n(C)n1 by carboxyl.,CCc1cc(NC(=O)C(=O)NC[C@@](C)(O)[C@H](C)CC)n(C)n1,hydroxyl,carboxyl
198872,Please substitute a halo in the molecule Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 by nitro.,Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1,halo,nitro
186424,Modify the molecule CN[C@@](C#N)(CN1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 by substituting a nitrile with hydroxyl.,CN[C@@](C#N)(CN1CC[NH+]2CCC[C@@H]2C1)c1ccccc1,nitrile,hydroxyl
156290,Substitute a halo in the molecule CCOC(=O)C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1 with hydroxyl.,CCOC(=O)C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1,halo,hydroxyl
237840,Replace a halo in the molecule CCc1noc(C)c1C(=O)Nc1cc(F)ccc1N1CCCCC1 by hydroxyl.,CCc1noc(C)c1C(=O)Nc1cc(F)ccc1N1CCCCC1,halo,hydroxyl
102491,Substitute a halo in the molecule C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 with nitro.,C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1,halo,nitro
100348,Please substitute a thiol in the molecule CC[C@@H]1CCC[NH+](CC2(CS)CCC2)CC1 by carboxyl.,CC[C@@H]1CCC[NH+](CC2(CS)CCC2)CC1,thiol,carboxyl
13796,Modify the molecule COC(=O)CNC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21 by substituting a hydroxyl with nitro.,COC(=O)CNC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21,hydroxyl,nitro
196303,Substitute a nitro in the molecule Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 with carboxyl.,Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1,nitro,carboxyl
222483,Please substitute a nitrile in the molecule CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(C#N)c1 by halo.,CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(C#N)c1,nitrile,halo
104616,Modify the molecule O=C1N[C@@](c2ccccn2)(C2CC[NH+](Cc3c(F)cccc3F)CC2)C(=O)N1C[C@H]1CCCO1 by replacing a halo by thiol.,O=C1N[C@@](c2ccccn2)(C2CC[NH+](Cc3c(F)cccc3F)CC2)C(=O)N1C[C@H]1CCCO1,halo,thiol
113712,Substitute a halo in the molecule OCC[C@H]1C[NH+](Cc2cccs2)CCN1Cc1ccccc1F with thiol.,OCC[C@H]1C[NH+](Cc2cccs2)CCN1Cc1ccccc1F,halo,thiol
31059,Substitute a halo in the molecule CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2nc3cc(Cl)ccc3n2C)CC1 with nitro.,CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2nc3cc(Cl)ccc3n2C)CC1,halo,nitro
126876,Substitute a halo in the molecule CC[NH2+][C@H](c1ccn(Cc2c(Cl)cccc2Cl)c1)C(C)C with carboxyl.,CC[NH2+][C@H](c1ccn(Cc2c(Cl)cccc2Cl)c1)C(C)C,halo,carboxyl
234322,Please substitute a halo in the molecule O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 by nitro.,O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1,halo,nitro
18679,Please replace a nitrile in the molecule C[C@H](NC(=O)c1cccc(SCC#N)c1)C(=O)N1CCCC[C@@H]1C with nitro.,C[C@H](NC(=O)c1cccc(SCC#N)c1)C(=O)N1CCCC[C@@H]1C,nitrile,nitro
126268,Substitute a halo in the molecule O=c1c(C[NH+]2CCSCC2)coc2c(Cl)cc(Cl)cc12 with nitrile.,O=c1c(C[NH+]2CCSCC2)coc2c(Cl)cc(Cl)cc12,halo,nitrile
241952,Substitute a halo in the molecule Cc1occc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 with aldehyde.,Cc1occc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1,halo,aldehyde
126505,Modify the molecule OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1 by substituting a hydroxyl with nitrile.,OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1,hydroxyl,nitrile
205991,Modify the molecule Cc1ccc(C(=O)N2CCN(c3nc4nccc(-c5ccc(Cl)c(Cl)c5)n4n3)CC2)cc1C by substituting a halo with nitrile.,Cc1ccc(C(=O)N2CCN(c3nc4nccc(-c5ccc(Cl)c(Cl)c5)n4n3)CC2)cc1C,halo,nitrile
175311,Please substitute a halo in the molecule COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 by hydroxyl.,COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1,halo,hydroxyl
158734,Modify the molecule CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCc1ccc(F)c(Cl)c1 by replacing a halo by thiol.,CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCc1ccc(F)c(Cl)c1,halo,thiol
228158,Substitute a hydroxyl in the molecule Cc1nc(CCNC(=O)N2CC[C@H](C)[C@H](O)C2)cs1 with aldehyde.,Cc1nc(CCNC(=O)N2CC[C@H](C)[C@H](O)C2)cs1,hydroxyl,aldehyde
246316,Substitute a halo in the molecule [NH3+]C[C@@H](Cc1nccs1)c1cccc(Cl)c1 with nitro.,[NH3+]C[C@@H](Cc1nccs1)c1cccc(Cl)c1,halo,nitro
172488,Modify the molecule COc1ccc(CN(C)C(=O)CS[C@@H](C)[C@@H](C)O)cc1F by replacing a halo by carboxyl.,COc1ccc(CN(C)C(=O)CS[C@@H](C)[C@@H](C)O)cc1F,halo,carboxyl
84003,Modify the molecule C[C@H](O)CN(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C by replacing a hydroxyl by aldehyde.,C[C@H](O)CN(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C,hydroxyl,aldehyde
13977,Please substitute a hydroxyl in the molecule CN(C)c1ccc(CCCNC(=O)N[C@H]2CCC[C@@H]2CO)cc1 by halo.,CN(C)c1ccc(CCCNC(=O)N[C@H]2CCC[C@@H]2CO)cc1,hydroxyl,halo
116356,Replace a halo in the molecule C#Cc1cc(F)c(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c(F)c1 by nitrile.,C#Cc1cc(F)c(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c(F)c1,halo,nitrile
228475,Substitute a halo in the molecule Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 with hydroxyl.,Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1,halo,hydroxyl
154674,Replace a halo in the molecule CCOc1c(Cl)cc(Cl)cc1C(=O)NC1=NN(c2ccccc2)C(=O)C1 by nitro.,CCOc1c(Cl)cc(Cl)cc1C(=O)NC1=NN(c2ccccc2)C(=O)C1,halo,nitro
61116,Replace a halo in the molecule CCOc1ccc(-c2nnc([S-])n2-c2ccc(Cl)c(C(=O)[O-])c2)cc1 by aldehyde.,CCOc1ccc(-c2nnc([S-])n2-c2ccc(Cl)c(C(=O)[O-])c2)cc1,halo,aldehyde
216958,Please replace a halo in the molecule CCC[NH2+][C@@H](Cc1ccc(C)cn1)c1c(F)cccc1F with thiol.,CCC[NH2+][C@@H](Cc1ccc(C)cn1)c1c(F)cccc1F,halo,thiol
163438,Substitute a halo in the molecule CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 with aldehyde.,CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1,halo,aldehyde
150418,Replace a hydroxyl in the molecule O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 by carboxyl.,O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,hydroxyl,carboxyl
223469,Substitute a halo in the molecule COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCC[C@@H](C)C1 with nitro.,COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCC[C@@H](C)C1,halo,nitro
126043,Modify the molecule COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1 by replacing a halo by aldehyde.,COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1,halo,aldehyde
228116,Modify the molecule Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc2cc(C(F)(F)F)ccc21 by substituting a halo with nitro.,Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc2cc(C(F)(F)F)ccc21,halo,nitro
225712,Modify the molecule C[C@H](O)[C@@H]1CCC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 by substituting a hydroxyl with aldehyde.,C[C@H](O)[C@@H]1CCC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1,hydroxyl,aldehyde
176595,Substitute a hydroxyl in the molecule CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H](O)C1 with thiol.,CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H](O)C1,hydroxyl,thiol
170369,Please substitute a halo in the molecule O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1 by aldehyde.,O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1,halo,aldehyde
674,Replace a halo in the molecule C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1 by hydroxyl.,C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1,halo,hydroxyl
154300,Modify the molecule N#Cc1csc(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)c1 by substituting a nitrile with halo.,N#Cc1csc(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)c1,nitrile,halo
119025,Modify the molecule CC(C)Oc1nc(Oc2ccc(Br)cc2Cl)ccc1N by replacing a halo by carboxyl.,CC(C)Oc1nc(Oc2ccc(Br)cc2Cl)ccc1N,halo,carboxyl
8058,Modify the molecule CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1 by replacing a halo by aldehyde.,CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1,halo,aldehyde
166131,Replace a halo in the molecule CC[C@H](C)CN(CC)c1ccc(/C=C/C(=O)[O-])cc1F by nitrile.,CC[C@H](C)CN(CC)c1ccc(/C=C/C(=O)[O-])cc1F,halo,nitrile
171431,Modify the molecule COc1ccc(S(=O)(=O)N(C)c2ccccc2F)c([N+](=O)[O-])c1 by substituting a halo with nitrile.,COc1ccc(S(=O)(=O)N(C)c2ccccc2F)c([N+](=O)[O-])c1,halo,nitrile
202928,Please replace a hydroxyl in the molecule CC[NH+]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2)N3)C1 with aldehyde.,CC[NH+]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2)N3)C1,hydroxyl,aldehyde
62035,Please replace a halo in the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)Cc1ccc(F)c(F)c1 with thiol.,Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)Cc1ccc(F)c(F)c1,halo,thiol
194809,Please substitute a halo in the molecule [NH3+]CC1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 by nitrile.,[NH3+]CC1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1,halo,nitrile
165594,Replace a nitrile in the molecule Cc1cscc1C[NH2+][C@H]1CCCCC[C@@H]1C#N by halo.,Cc1cscc1C[NH2+][C@H]1CCCCC[C@@H]1C#N,nitrile,halo
139623,Please replace a halo in the molecule O=C(OCc1nncn1C1CC1)C1(c2ccc(Cl)cc2)CC1 with hydroxyl.,O=C(OCc1nncn1C1CC1)C1(c2ccc(Cl)cc2)CC1,halo,hydroxyl
120204,Modify the molecule CNc1nc2ccccc2cc1CSC[C@@H](O)CO by substituting a hydroxyl with aldehyde.,CNc1nc2ccccc2cc1CSC[C@@H](O)CO,hydroxyl,aldehyde
69309,Modify the molecule C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)c(F)c(F)c1 by replacing a halo by hydroxyl.,C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)c(F)c(F)c1,halo,hydroxyl
70133,Please replace a nitrile in the molecule C=CCSC1=NC(=O)C[C@H](c2ccc(C(C)C)cc2)[C@@H]1C#N with carboxyl.,C=CCSC1=NC(=O)C[C@H](c2ccc(C(C)C)cc2)[C@@H]1C#N,nitrile,carboxyl
95045,Modify the molecule Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3ccc(O)cc3)c([O-])c2n1 by replacing a hydroxyl by aldehyde.,Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3ccc(O)cc3)c([O-])c2n1,hydroxyl,aldehyde
95432,Modify the molecule CCOc1ccc(NC(=O)NCCCN2CCOCC2)cc1F by substituting a halo with hydroxyl.,CCOc1ccc(NC(=O)NCCCN2CCOCC2)cc1F,halo,hydroxyl
55357,Modify the molecule CN(CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 by substituting a nitrile with halo.,CN(CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1,nitrile,halo
189007,Modify the molecule COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Cl)c1OC by substituting a halo with nitro.,COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Cl)c1OC,halo,nitro
164328,Substitute a nitro in the molecule Cc1ccc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 with nitrile.,Cc1ccc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1,nitro,nitrile
14793,Please replace a halo in the molecule CC(C)(C)NC(=S)NC(=O)/C=C/c1ccccc1Cl with nitrile.,CC(C)(C)NC(=S)NC(=O)/C=C/c1ccccc1Cl,halo,nitrile
182282,Please substitute a nitrile in the molecule CN[C@](C)(C#N)C[C@@H](C)SC[C@@H](C)CO by thiol.,CN[C@](C)(C#N)C[C@@H](C)SC[C@@H](C)CO,nitrile,thiol
106227,Please replace a hydroxyl in the molecule CCC[C@H]1C(=O)NCC[NH+]1Cc1cc(Cl)ccc1O with nitro.,CCC[C@H]1C(=O)NCC[NH+]1Cc1cc(Cl)ccc1O,hydroxyl,nitro
230139,Replace a hydroxyl in the molecule Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO by carboxyl.,Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO,hydroxyl,carboxyl
216817,Modify the molecule CC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CCS1 by replacing a halo by aldehyde.,CC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CCS1,halo,aldehyde
240147,Please substitute a halo in the molecule C[C@H]1c2ccc(O)cc2OC(=O)[C@@H]1CC(=O)NCCC1=c2cc(F)ccc2=[NH+]C1 by thiol.,C[C@H]1c2ccc(O)cc2OC(=O)[C@@H]1CC(=O)NCCC1=c2cc(F)ccc2=[NH+]C1,halo,thiol
12033,Please substitute a halo in the molecule O=C(CNc1ccc(Cl)cc1F)NC[C@@H]1COc2ccccc2O1 by nitro.,O=C(CNc1ccc(Cl)cc1F)NC[C@@H]1COc2ccccc2O1,halo,nitro
90762,Please substitute a halo in the molecule O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 by carboxyl.,O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1,halo,carboxyl
11702,Substitute a hydroxyl in the molecule O=C(CCCCO)Nc1ccccc1Oc1ccccc1 with nitrile.,O=C(CCCCO)Nc1ccccc1Oc1ccccc1,hydroxyl,nitrile
187688,Please replace a halo in the molecule CCOC(=O)C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21 with nitrile.,CCOC(=O)C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21,halo,nitrile
121814,Substitute a halo in the molecule C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C[C@@H](C)O1 with carboxyl.,C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C[C@@H](C)O1,halo,carboxyl
172416,Please substitute a nitrile in the molecule CCN(C[C@H](C)C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 by hydroxyl.,CCN(C[C@H](C)C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2,nitrile,hydroxyl
42096,Modify the molecule COc1ccc(CNc2c(-c3ccc(O)c(O)c3)nc3cnccn23)cc1 by replacing a hydroxyl by nitrile.,COc1ccc(CNc2c(-c3ccc(O)c(O)c3)nc3cnccn23)cc1,hydroxyl,nitrile
112043,Please replace a halo in the molecule Fc1cccc(C[NH+]2CCCCC[C@H]2c2ccco2)c1 with nitro.,Fc1cccc(C[NH+]2CCCCC[C@H]2c2ccco2)c1,halo,nitro
138184,Please substitute a halo in the molecule CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 by aldehyde.,CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1,halo,aldehyde
208058,Modify the molecule Cc1nc(Br)ccc1NC(=O)c1cccc(NC(C)C)c1 by replacing a halo by hydroxyl.,Cc1nc(Br)ccc1NC(=O)c1cccc(NC(C)C)c1,halo,hydroxyl
160878,Substitute a halo in the molecule C[NH2+]CCc1nc2cccc(Cl)c2[nH]1 with thiol.,C[NH2+]CCc1nc2cccc(Cl)c2[nH]1,halo,thiol
172926,Please replace a halo in the molecule [NH3+][C@@H](CC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1 with nitrile.,[NH3+][C@@H](CC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1,halo,nitrile
62573,Please replace a halo in the molecule COc1cc(CNC(=O)C(=O)Nc2ccc(C)nc2Cl)ccn1 with nitro.,COc1cc(CNC(=O)C(=O)Nc2ccc(C)nc2Cl)ccn1,halo,nitro
23025,Substitute a hydroxyl in the molecule NC(=O)CCCCNC(=O)c1cc(Cl)ccc1O with halo.,NC(=O)CCCCNC(=O)c1cc(Cl)ccc1O,hydroxyl,halo
216229,Modify the molecule CN(CC(C)(C)C)c1nc(Br)cn2ccnc12 by replacing a halo by nitrile.,CN(CC(C)(C)C)c1nc(Br)cn2ccnc12,halo,nitrile
7594,Please substitute a nitrile in the molecule Cc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc(C#N)n1C by nitro.,Cc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc(C#N)n1C,nitrile,nitro
134476,Modify the molecule C[C@H]1C[C@H]1/C([O-])=C(\C#N)C(=O)NCCc1ccccc1 by replacing a nitrile by carboxyl.,C[C@H]1C[C@H]1/C([O-])=C(\C#N)C(=O)NCCc1ccccc1,nitrile,carboxyl
157327,Please substitute a halo in the molecule CC[C@H](CSC)N(C)C(=O)c1c(C)nn(CC)c1Cl by nitro.,CC[C@H](CSC)N(C)C(=O)c1c(C)nn(CC)c1Cl,halo,nitro
45200,Please substitute a hydroxyl in the molecule Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1 by carboxyl.,Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1,hydroxyl,carboxyl
118174,Please replace a nitro in the molecule COc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1OC with aldehyde.,COc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1OC,nitro,aldehyde
55811,Substitute a hydroxyl in the molecule CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1 with aldehyde.,CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1,hydroxyl,aldehyde
29103,Please substitute a halo in the molecule CC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)c3ccccc23)C1 by hydroxyl.,CC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)c3ccccc23)C1,halo,hydroxyl
196324,Please replace a halo in the molecule Cc1ccc([C@@H](C)C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 with aldehyde.,Cc1ccc([C@@H](C)C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1,halo,aldehyde
115628,Please substitute a halo in the molecule O=C1CC[C@H](COC(=O)c2cccc(F)c2)N1 by carboxyl.,O=C1CC[C@H](COC(=O)c2cccc(F)c2)N1,halo,carboxyl
23834,Modify the molecule O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)o1 by substituting a halo with carboxyl.,O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)o1,halo,carboxyl
69170,Modify the molecule Cc1cc(C)n2nc(C)c(C(=O)Nc3ccccc3F)c2n1 by replacing a halo by carboxyl.,Cc1cc(C)n2nc(C)c(C(=O)Nc3ccccc3F)c2n1,halo,carboxyl
167421,Substitute a halo in the molecule Cn1cnnc1[C@H]1CCCN1C(=O)c1c(O)cc(Cl)cc1Cl with nitro.,Cn1cnnc1[C@H]1CCCN1C(=O)c1c(O)cc(Cl)cc1Cl,halo,nitro
42673,Please substitute a hydroxyl in the molecule C[C@@H](O)CCC(=O)NCCNS(C)(=O)=O by thiol.,C[C@@H](O)CCC(=O)NCCNS(C)(=O)=O,hydroxyl,thiol
212618,Modify the molecule Cc1cc(C)n2cc(CN3CCN(c4cccc(Cl)c4)CC3)nc2n1 by substituting a halo with carboxyl.,Cc1cc(C)n2cc(CN3CCN(c4cccc(Cl)c4)CC3)nc2n1,halo,carboxyl
7157,Substitute a nitrile in the molecule C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CCCCC1 with nitro.,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CCCCC1,nitrile,nitro
241106,Please replace a halo in the molecule C[C@@H](CCl)CSc1ccnc(N(C)C)n1 with aldehyde.,C[C@@H](CCl)CSc1ccnc(N(C)C)n1,halo,aldehyde
121676,Modify the molecule CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C by substituting a halo with carboxyl.,CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C,halo,carboxyl
130925,Modify the molecule OCC[NH+](Cc1ncn(-c2ccccc2)n1)[C@@H]1CCCc2ccccc21 by replacing a hydroxyl by thiol.,OCC[NH+](Cc1ncn(-c2ccccc2)n1)[C@@H]1CCCc2ccccc21,hydroxyl,thiol
47529,Substitute a halo in the molecule NC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 with carboxyl.,NC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1,halo,carboxyl
108622,Replace a halo in the molecule CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 by hydroxyl.,CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1,halo,hydroxyl
10754,Modify the molecule Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)ccc1F by substituting a halo with thiol.,Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)ccc1F,halo,thiol
166058,Please substitute a halo in the molecule C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)c(F)cc2Cl)cc1 by carboxyl.,C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(F)c(F)cc2Cl)cc1,halo,carboxyl
239244,Modify the molecule C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 by substituting a halo with aldehyde.,C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1,halo,aldehyde
242736,Substitute a hydroxyl in the molecule C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCCC[C@@H]1CO with nitro.,C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCCC[C@@H]1CO,hydroxyl,nitro
20259,Replace a nitro in the molecule O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(F)c1 by hydroxyl.,O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(F)c1,nitro,hydroxyl
159250,Modify the molecule CCn1cc([C@](C)([NH3+])c2ccc(C)c(F)c2)cn1 by replacing a halo by hydroxyl.,CCn1cc([C@](C)([NH3+])c2ccc(C)c(F)c2)cn1,halo,hydroxyl
80104,Please replace a halo in the molecule CC(=O)Nc1cc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)ccc1Cl with thiol.,CC(=O)Nc1cc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)ccc1Cl,halo,thiol
72458,Please replace a halo in the molecule O=C(CCc1nc(-c2ccc(F)cc2)no1)Oc1cccc(Cl)c1Cl with hydroxyl.,O=C(CCc1nc(-c2ccc(F)cc2)no1)Oc1cccc(Cl)c1Cl,halo,hydroxyl
132534,Replace a halo in the molecule Cc1c(C(=O)N(C)Cc2cccc(F)c2)sc2nc3n(c(=O)c12)CCCCC3 by carboxyl.,Cc1c(C(=O)N(C)Cc2cccc(F)c2)sc2nc3n(c(=O)c12)CCCCC3,halo,carboxyl
83071,Please substitute a halo in the molecule C[C@H](C[NH3+])[C@@H](C)N(C)Cc1cccc(Br)c1 by carboxyl.,C[C@H](C[NH3+])[C@@H](C)N(C)Cc1cccc(Br)c1,halo,carboxyl
26123,Modify the molecule Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1C by substituting a halo with carboxyl.,Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1C,halo,carboxyl
72669,Please substitute a halo in the molecule O=[N+]([O-])c1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1 by nitro.,O=[N+]([O-])c1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1,halo,nitro
191827,Please replace a halo in the molecule Cc1cc(F)cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 with nitro.,Cc1cc(F)cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1,halo,nitro
102555,Modify the molecule CCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F by replacing a halo by aldehyde.,CCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F,halo,aldehyde
62805,Substitute a hydroxyl in the molecule Cc1ccsc1CNC(=O)C[NH+]1CCC[C@H](O)C1 with carboxyl.,Cc1ccsc1CNC(=O)C[NH+]1CCC[C@H](O)C1,hydroxyl,carboxyl
189627,Please substitute a halo in the molecule O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1Cl by nitrile.,O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1Cl,halo,nitrile
35255,Modify the molecule COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1O by substituting a nitrile with hydroxyl.,COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1O,nitrile,hydroxyl
86935,Modify the molecule CCC[NH2+]C[C@H](Cc1csc(C)n1)c1cccc(Cl)c1 by substituting a halo with hydroxyl.,CCC[NH2+]C[C@H](Cc1csc(C)n1)c1cccc(Cl)c1,halo,hydroxyl
117595,Modify the molecule CCC[C@H]1CC[C@H](O)[C@H](Cc2cccc(O)c2)C1 by substituting a hydroxyl with nitro.,CCC[C@H]1CC[C@H](O)[C@H](Cc2cccc(O)c2)C1,hydroxyl,nitro
32952,Replace a halo in the molecule CC(C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)c(Br)c1 by hydroxyl.,CC(C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)c(Br)c1,halo,hydroxyl
209678,Substitute a halo in the molecule Cc1ccc(CC(=O)N[C@H](CO)c2ccccc2F)cn1 with nitro.,Cc1ccc(CC(=O)N[C@H](CO)c2ccccc2F)cn1,halo,nitro
179253,Modify the molecule O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1cc(Cl)ccc1Cl by substituting a halo with hydroxyl.,O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1cc(Cl)ccc1Cl,halo,hydroxyl
132793,Substitute a halo in the molecule CC(C)[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl with thiol.,CC(C)[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl,halo,thiol
1242,Please replace a halo in the molecule COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 with nitrile.,COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2,halo,nitrile
162148,Substitute a halo in the molecule CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 with nitrile.,CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1,halo,nitrile
112116,Please replace a halo in the molecule COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 with aldehyde.,COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1,halo,aldehyde
150845,Modify the molecule Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1F by replacing a halo by thiol.,Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1F,halo,thiol
173227,Replace a halo in the molecule C[NH2+]C1CCC(N(C)C/C(Cl)=C/Cl)CC1 by hydroxyl.,C[NH2+]C1CCC(N(C)C/C(Cl)=C/Cl)CC1,halo,hydroxyl
41949,Modify the molecule C[C@H](Cc1nnc(SCc2cc3c(cc2Br)OCCO3)o1)c1ccccc1 by replacing a halo by hydroxyl.,C[C@H](Cc1nnc(SCc2cc3c(cc2Br)OCCO3)o1)c1ccccc1,halo,hydroxyl
29433,Modify the molecule [NH3+]CC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2Br)CC1 by substituting a halo with carboxyl.,[NH3+]CC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2Br)CC1,halo,carboxyl
57186,Modify the molecule Cc1cccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)c1 by substituting a halo with hydroxyl.,Cc1cccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)c1,halo,hydroxyl
120635,Replace a hydroxyl in the molecule O=C(CCC1CCCC1)NC[C@]1(O)CCOc2ccccc21 by nitro.,O=C(CCC1CCCC1)NC[C@]1(O)CCOc2ccccc21,hydroxyl,nitro
103262,Modify the molecule Cc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(F)c2)CC1 by substituting a halo with thiol.,Cc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(F)c2)CC1,halo,thiol
126237,Replace a hydroxyl in the molecule CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 by aldehyde.,CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1,hydroxyl,aldehyde
247233,Modify the molecule CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 by replacing a halo by carboxyl.,CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1,halo,carboxyl
21303,Please substitute a halo in the molecule C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)Cc1ccc(F)c(F)c1 by nitro.,C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)Cc1ccc(F)c(F)c1,halo,nitro
133557,Please replace a halo in the molecule CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C1CC1 with hydroxyl.,CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C1CC1,halo,hydroxyl
230530,Please replace a halo in the molecule CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])C(C)C with carboxyl.,CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])C(C)C,halo,carboxyl
77222,Please substitute a halo in the molecule Cn1cc(/C=C/C(=O)Oc2cccc(F)c2)c(=O)n(C)c1=O by nitro.,Cn1cc(/C=C/C(=O)Oc2cccc(F)c2)c(=O)n(C)c1=O,halo,nitro
141933,Modify the molecule CC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1C=O by substituting a aldehyde with nitro.,CC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1C=O,aldehyde,nitro
146720,Please replace a halo in the molecule CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)CC1 with hydroxyl.,CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)CC1,halo,hydroxyl
189386,Replace a halo in the molecule Cn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 by carboxyl.,Cn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21,halo,carboxyl
202460,Modify the molecule Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)c2c1 by replacing a halo by nitro.,Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)c2c1,halo,nitro
42229,Modify the molecule COc1ccccc1N1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 by replacing a halo by thiol.,COc1ccccc1N1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1,halo,thiol
49095,Substitute a halo in the molecule CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 with nitrile.,CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1,halo,nitrile
222716,Please substitute a hydroxyl in the molecule N#C[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] by carboxyl.,N#C[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-],hydroxyl,carboxyl
45837,Substitute a halo in the molecule CCCC1=NN=C2OC(N)=C(C#N)[C@@H](C3=C(C)NN(c4ccccc4)[C@@H]3Cl)[C@H]12 with aldehyde.,CCCC1=NN=C2OC(N)=C(C#N)[C@@H](C3=C(C)NN(c4ccccc4)[C@@H]3Cl)[C@H]12,halo,aldehyde
27024,Replace a hydroxyl in the molecule C[NH+](CCCNC(=O)[C@@H](O)c1ccccc1)C1CCCCC1 by nitrile.,C[NH+](CCCNC(=O)[C@@H](O)c1ccccc1)C1CCCCC1,hydroxyl,nitrile
68989,Substitute a halo in the molecule C[C@H](NC(=O)c1cc[nH+]cc1[O-])c1ccc(Cl)s1 with nitrile.,C[C@H](NC(=O)c1cc[nH+]cc1[O-])c1ccc(Cl)s1,halo,nitrile
168019,Substitute a halo in the molecule C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc2c(Cl)cccc21 with hydroxyl.,C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc2c(Cl)cccc21,halo,hydroxyl
45458,Please substitute a aldehyde in the molecule COc1ccc(N2CCN(S(=O)(=O)c3ccccc3C=O)CC2)cc1 by nitro.,COc1ccc(N2CCN(S(=O)(=O)c3ccccc3C=O)CC2)cc1,aldehyde,nitro
16471,Substitute a halo in the molecule Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2c2nc(-c3ccc(Br)cc3)no2)cc1 with nitrile.,Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2c2nc(-c3ccc(Br)cc3)no2)cc1,halo,nitrile
96374,Modify the molecule C[C@@H]1CC[C@@H](c2nc(=O)c(-c3ccccc3F)c([O-])[nH]2)C1 by replacing a halo by nitrile.,C[C@@H]1CC[C@@H](c2nc(=O)c(-c3ccccc3F)c([O-])[nH]2)C1,halo,nitrile
182126,Please substitute a halo in the molecule CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(C)C by hydroxyl.,CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(C)C,halo,hydroxyl
121808,Modify the molecule CCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1 by substituting a halo with hydroxyl.,CCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1,halo,hydroxyl
35578,Modify the molecule CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 by replacing a halo by aldehyde.,CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1,halo,aldehyde
11041,Replace a halo in the molecule Cc1cc(C#CC(C)(C)[NH3+])c(F)cc1F by nitrile.,Cc1cc(C#CC(C)(C)[NH3+])c(F)cc1F,halo,nitrile
227423,Substitute a halo in the molecule C[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1 with hydroxyl.,C[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1,halo,hydroxyl
3203,Modify the molecule O[C@@H]1C[C@H](C2CCCCC2)[NH+](Cc2cccc3[nH]ccc23)C1 by replacing a hydroxyl by nitro.,O[C@@H]1C[C@H](C2CCCCC2)[NH+](Cc2cccc3[nH]ccc23)C1,hydroxyl,nitro
9105,Modify the molecule CN(C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCO1)c1cccn[nH+]1 by substituting a hydroxyl with nitro.,CN(C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCO1)c1cccn[nH+]1,hydroxyl,nitro
18161,Please replace a halo in the molecule O=C([O-])C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 with carboxyl.,O=C([O-])C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1,halo,carboxyl
243317,Replace a halo in the molecule C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1 by nitro.,C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1,halo,nitro
120471,Replace a hydroxyl in the molecule COC(=O)c1cc(C[NH+]2C[C@H](O)[C@H](O)C2)oc1C by carboxyl.,COC(=O)c1cc(C[NH+]2C[C@H](O)[C@H](O)C2)oc1C,hydroxyl,carboxyl
234910,Modify the molecule Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C by replacing a nitrile by carboxyl.,Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C,nitrile,carboxyl
17980,Modify the molecule N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 by substituting a halo with hydroxyl.,N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1,halo,hydroxyl
115955,Modify the molecule CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(Br)cc3)[NH2+]2)c1O by substituting a hydroxyl with nitro.,CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=N[C@@H](c3ccc(Br)cc3)[NH2+]2)c1O,hydroxyl,nitro
108767,Please replace a hydroxyl in the molecule Cc1ccc(OC[C@H](O)C[NH+]2CCCC3(C2)OCCO3)cc1 with carboxyl.,Cc1ccc(OC[C@H](O)C[NH+]2CCCC3(C2)OCCO3)cc1,hydroxyl,carboxyl
150746,Substitute a halo in the molecule Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c2c1 with thiol.,Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c2c1,halo,thiol
103976,Substitute a halo in the molecule C[C@H]1OCC[C@H]1C(=O)Nc1cnn(-c2ccccc2Br)c1 with nitro.,C[C@H]1OCC[C@H]1C(=O)Nc1cnn(-c2ccccc2Br)c1,halo,nitro
10569,Modify the molecule COCCOC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1 by replacing a hydroxyl by aldehyde.,COCCOC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1,hydroxyl,aldehyde
14534,Substitute a hydroxyl in the molecule CCc1nn2c(N3CCC(O)CC3)c3c(nc2c1-c1cccs1)CCC3 with nitrile.,CCc1nn2c(N3CCC(O)CC3)c3c(nc2c1-c1cccs1)CCC3,hydroxyl,nitrile
178632,Please substitute a halo in the molecule Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@@H](c3cccnc3)[C@H]21 by nitrile.,Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@@H](c3cccnc3)[C@H]21,halo,nitrile
131704,Modify the molecule C=C1C(=O)O[C@@H]2[C@H]1[C@H](O)C[C@]1(C)[C@@H](O)CC[C@H](C=O)[C@@H]21 by substituting a aldehyde with thiol.,C=C1C(=O)O[C@@H]2[C@H]1[C@H](O)C[C@]1(C)[C@@H](O)CC[C@H](C=O)[C@@H]21,aldehyde,thiol
192744,Replace a halo in the molecule O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)nc1 by carboxyl.,O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)nc1,halo,carboxyl
193859,Replace a halo in the molecule O=C([O-])CCCc1ccc2c(c1Br)C=CC2 by nitrile.,O=C([O-])CCCc1ccc2c(c1Br)C=CC2,halo,nitrile
218336,Modify the molecule CC[NH2+]C[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1F by replacing a halo by carboxyl.,CC[NH2+]C[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1F,halo,carboxyl
163631,Please replace a halo in the molecule O=C1CCO[P@@](=O)(N(CCCl)CCCl)N1 with aldehyde.,O=C1CCO[P@@](=O)(N(CCCl)CCCl)N1,halo,aldehyde
142418,Please substitute a nitro in the molecule NC(=O)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 by thiol.,NC(=O)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2,nitro,thiol
140233,Substitute a halo in the molecule Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC1CC1 with nitro.,Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC1CC1,halo,nitro
196632,Please substitute a halo in the molecule O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(Br)cc1 by carboxyl.,O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(Br)cc1,halo,carboxyl
132072,Modify the molecule O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 by substituting a halo with nitrile.,O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1,halo,nitrile
175288,Substitute a halo in the molecule CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1 with carboxyl.,CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1,halo,carboxyl
235450,Modify the molecule C[C@H]1CCN(C(=O)CCNC(=O)C2CCCCC2)C[C@H]1O by replacing a hydroxyl by nitrile.,C[C@H]1CCN(C(=O)CCNC(=O)C2CCCCC2)C[C@H]1O,hydroxyl,nitrile
234550,Modify the molecule C[C@H]1CN(C(=O)COC(=O)COc2ccc(Cl)cc2)C[C@@H](C)O1 by replacing a halo by nitro.,C[C@H]1CN(C(=O)COC(=O)COc2ccc(Cl)cc2)C[C@@H](C)O1,halo,nitro
227959,Modify the molecule O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 by replacing a halo by nitrile.,O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1,halo,nitrile
137737,Modify the molecule CS(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 by substituting a halo with thiol.,CS(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1,halo,thiol
146120,Replace a halo in the molecule CCCCCNC(=O)[C@H](C)Nc1ccc(Br)cc1 by nitrile.,CCCCCNC(=O)[C@H](C)Nc1ccc(Br)cc1,halo,nitrile
166267,Replace a halo in the molecule CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2F)NC(=O)N1 by carboxyl.,CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2F)NC(=O)N1,halo,carboxyl
205576,Please replace a halo in the molecule Cc1noc(C)c1[C@H](C)NC(=O)c1cc(N)c(F)cc1F with hydroxyl.,Cc1noc(C)c1[C@H](C)NC(=O)c1cc(N)c(F)cc1F,halo,hydroxyl
23898,Modify the molecule CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)C(F)(F)F)C1 by replacing a halo by nitrile.,CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)C(F)(F)F)C1,halo,nitrile
70522,Modify the molecule CCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 by replacing a halo by thiol.,CCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1,halo,thiol
1953,Please substitute a nitrile in the molecule Cc1nc(C)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)o1 by nitro.,Cc1nc(C)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)o1,nitrile,nitro
104591,Please replace a hydroxyl in the molecule CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 with aldehyde.,CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1,hydroxyl,aldehyde
124968,Substitute a halo in the molecule NC(=O)C1(CNC(=O)c2cc3cc(F)ccc3[nH]2)CCOCC1 with nitrile.,NC(=O)C1(CNC(=O)c2cc3cc(F)ccc3[nH]2)CCOCC1,halo,nitrile
234323,Please substitute a hydroxyl in the molecule COc1ccc(OC)c2c1CN(C(=O)NCC1CCCCCCC1)C[C@@H]2O by thiol.,COc1ccc(OC)c2c1CN(C(=O)NCC1CCCCCCC1)C[C@@H]2O,hydroxyl,thiol
130159,Please replace a halo in the molecule COc1cc(C)c(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)cc1OC with hydroxyl.,COc1cc(C)c(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)cc1OC,halo,hydroxyl
81803,Modify the molecule CCCN[C@H](c1sccc1C)C(F)(F)C(F)F by replacing a halo by thiol.,CCCN[C@H](c1sccc1C)C(F)(F)C(F)F,halo,thiol
111791,Modify the molecule C[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 by substituting a halo with aldehyde.,C[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1,halo,aldehyde
128434,Replace a halo in the molecule CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S by nitro.,CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S,halo,nitro
89866,Substitute a halo in the molecule C[C@@H](c1ccccc1F)N(C)C(=O)CN(C)C(=O)c1ccccc1 with nitro.,C[C@@H](c1ccccc1F)N(C)C(=O)CN(C)C(=O)c1ccccc1,halo,nitro
164706,Replace a halo in the molecule COC(CNC(=S)Nc1ccccc1F)OC by thiol.,COC(CNC(=S)Nc1ccccc1F)OC,halo,thiol
178489,Replace a hydroxyl in the molecule Cc1nc2sc([C@H](c3ccc(F)c(F)c3)[NH+]3CCC(C(N)=O)CC3)c(O)n2n1 by nitro.,Cc1nc2sc([C@H](c3ccc(F)c(F)c3)[NH+]3CCC(C(N)=O)CC3)c(O)n2n1,hydroxyl,nitro
175304,Please substitute a halo in the molecule Cc1ccc(Cl)cc1NCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 by thiol.,Cc1ccc(Cl)cc1NCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12,halo,thiol
29854,Replace a hydroxyl in the molecule O=C1C(=O)N(CN2CCC(O)(C(F)(F)F)CC2)c2ccccc21 by thiol.,O=C1C(=O)N(CN2CCC(O)(C(F)(F)F)CC2)c2ccccc21,hydroxyl,thiol
157716,Substitute a halo in the molecule C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc2ccccc2n1 with nitro.,C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc2ccccc2n1,halo,nitro
205716,Please replace a nitro in the molecule CS(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 with thiol.,CS(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1,nitro,thiol
233300,Substitute a nitrile in the molecule Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)c1C with nitro.,Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)c1C,nitrile,nitro
246335,Modify the molecule N#Cc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1C(F)(F)F by replacing a halo by thiol.,N#Cc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1C(F)(F)F,halo,thiol
158061,Please substitute a halo in the molecule CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1 by aldehyde.,CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1,halo,aldehyde
147104,Substitute a halo in the molecule Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1F with thiol.,Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1F,halo,thiol
242884,Replace a halo in the molecule CCc1cc(C[C@@H](O)c2ccc(Cl)cn2)n(CC)n1 by nitro.,CCc1cc(C[C@@H](O)c2ccc(Cl)cn2)n(CC)n1,halo,nitro
153784,Modify the molecule Cc1cc(C)n(-c2ccc(N(C)CCOc3ccccc3F)nn2)n1 by substituting a halo with aldehyde.,Cc1cc(C)n(-c2ccc(N(C)CCOc3ccccc3F)nn2)n1,halo,aldehyde
181180,Modify the molecule O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 by replacing a nitro by hydroxyl.,O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1,nitro,hydroxyl
185862,Replace a halo in the molecule C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)Oc1ccccc1 by nitro.,C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)Oc1ccccc1,halo,nitro
12371,Modify the molecule COc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)n2C)cc1 by substituting a halo with nitrile.,COc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)n2C)cc1,halo,nitrile
178233,Replace a halo in the molecule COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1 by carboxyl.,COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1,halo,carboxyl
134354,Modify the molecule COC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl by replacing a halo by carboxyl.,COC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl,halo,carboxyl
80769,Substitute a halo in the molecule COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F with hydroxyl.,COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F,halo,hydroxyl
46856,Modify the molecule COc1ccc2nc(Cl)c([C@H]3NC(=O)c4ccccc4N3)cc2c1 by substituting a halo with nitro.,COc1ccc2nc(Cl)c([C@H]3NC(=O)c4ccccc4N3)cc2c1,halo,nitro
54242,Modify the molecule CC[C@@H](C)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 by substituting a halo with nitrile.,CC[C@@H](C)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1,halo,nitrile
36674,Replace a halo in the molecule O=C(NCCc1cc(Br)ccc1F)NNC(=O)c1ccccc1O by hydroxyl.,O=C(NCCc1cc(Br)ccc1F)NNC(=O)c1ccccc1O,halo,hydroxyl
96175,Please substitute a halo in the molecule Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Br)c3)c12 by aldehyde.,Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Br)c3)c12,halo,aldehyde
22156,Please replace a halo in the molecule Oc1cc(Cl)c2cn[nH]c2c1 with carboxyl.,Oc1cc(Cl)c2cn[nH]c2c1,halo,carboxyl
44157,Modify the molecule COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 by replacing a halo by aldehyde.,COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2,halo,aldehyde
224184,Modify the molecule Cc1ccccc1SCC(=O)N[C@H]1CCc2c(O)cccc21 by substituting a hydroxyl with nitro.,Cc1ccccc1SCC(=O)N[C@H]1CCc2c(O)cccc21,hydroxyl,nitro
231836,Substitute a halo in the molecule Cn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O with aldehyde.,Cn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O,halo,aldehyde
186689,Please substitute a halo in the molecule O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)c1ccc(F)cc1 by aldehyde.,O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)c1ccc(F)cc1,halo,aldehyde
174044,Modify the molecule C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)c1ccc(F)cc1N by substituting a halo with nitrile.,C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)c1ccc(F)cc1N,halo,nitrile
238306,Modify the molecule CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)cn1 by substituting a halo with hydroxyl.,CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)cn1,halo,hydroxyl
242266,Modify the molecule CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)cc1 by substituting a halo with nitrile.,CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)cc1,halo,nitrile
35967,Please replace a halo in the molecule Cc1nnc2sc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)nn12 with hydroxyl.,Cc1nnc2sc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)nn12,halo,hydroxyl
177576,Modify the molecule CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#CCCO by replacing a hydroxyl by nitro.,CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#CCCO,hydroxyl,nitro
239747,Please replace a halo in the molecule Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 with nitrile.,Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1,halo,nitrile
14536,Modify the molecule Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 by replacing a halo by nitrile.,Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1,halo,nitrile
227155,Please substitute a hydroxyl in the molecule Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 by nitro.,Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1,hydroxyl,nitro
36584,Please replace a nitro in the molecule C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1 with halo.,C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1,nitro,halo
57618,Please substitute a halo in the molecule C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 by carboxyl.,C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1,halo,carboxyl
95106,Substitute a halo in the molecule C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 with carboxyl.,C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1,halo,carboxyl
152579,Please substitute a halo in the molecule C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1 by carboxyl.,C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1,halo,carboxyl
51674,Please substitute a hydroxyl in the molecule COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)C1CC1 by thiol.,COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)C1CC1,hydroxyl,thiol
119048,Modify the molecule COc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1Cl by substituting a halo with aldehyde.,COc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1Cl,halo,aldehyde
31571,Please replace a hydroxyl in the molecule CC[C@H](C)C[NH2+]C[C@H](O)c1cnn(C)c1 with nitro.,CC[C@H](C)C[NH2+]C[C@H](O)c1cnn(C)c1,hydroxyl,nitro
131035,Substitute a nitrile in the molecule CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2 with thiol.,CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2,nitrile,thiol
148836,Please replace a halo in the molecule CCOC[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 with hydroxyl.,CCOC[C@H]1CCN(C(=O)COc2ccccc2Cl)C1,halo,hydroxyl
5041,Modify the molecule Cc1ccc(C(=O)N2CCCC[C@H]2C)c(F)c1F by substituting a halo with thiol.,Cc1ccc(C(=O)N2CCCC[C@H]2C)c(F)c1F,halo,thiol
166763,Modify the molecule Cc1nnc(C[NH+](C)[C@H]2CCN(c3sccc3C#N)C2=O)n1C by substituting a nitrile with aldehyde.,Cc1nnc(C[NH+](C)[C@H]2CCN(c3sccc3C#N)C2=O)n1C,nitrile,aldehyde
190853,Substitute a halo in the molecule CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 with thiol.,CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1,halo,thiol
220667,Modify the molecule C[C@@](O)(CO)CNc1ncc(Cl)cc1F by replacing a hydroxyl by carboxyl.,C[C@@](O)(CO)CNc1ncc(Cl)cc1F,hydroxyl,carboxyl
96333,Substitute a hydroxyl in the molecule CCN(CC(C)(C)O)C(=O)[C@]1(CC)CCC[NH2+]C1 with carboxyl.,CCN(CC(C)(C)O)C(=O)[C@]1(CC)CCC[NH2+]C1,hydroxyl,carboxyl
186336,Please replace a nitro in the molecule CC(=O)c1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 with carboxyl.,CC(=O)c1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1,nitro,carboxyl
180441,Modify the molecule Cc1cc(O)nc(SCC(=O)Nc2ccccc2-c2ccccc2)n1 by replacing a hydroxyl by halo.,Cc1cc(O)nc(SCC(=O)Nc2ccccc2-c2ccccc2)n1,hydroxyl,halo
62245,Modify the molecule C[C@@H](O)CNC(=O)/C=C1/CC(=O)N=C([O-])N1 by replacing a hydroxyl by nitro.,C[C@@H](O)CNC(=O)/C=C1/CC(=O)N=C([O-])N1,hydroxyl,nitro
28319,Please substitute a halo in the molecule COc1ccccc1C(=O)NC[C@H]1Cc2cccc(F)c2O1 by thiol.,COc1ccccc1C(=O)NC[C@H]1Cc2cccc(F)c2O1,halo,thiol
6696,Please replace a hydroxyl in the molecule CCOc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O with aldehyde.,CCOc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O,hydroxyl,aldehyde
21533,Modify the molecule COc1cc(C[NH+]2C[C@@H](C)[C@H]2c2ccccc2)cc(Cl)c1OCC(N)=O by substituting a halo with nitro.,COc1cc(C[NH+]2C[C@@H](C)[C@H]2c2ccccc2)cc(Cl)c1OCC(N)=O,halo,nitro
168635,Modify the molecule Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 by replacing a halo by thiol.,Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1,halo,thiol
224303,Substitute a hydroxyl in the molecule Oc1cccc([C@H]2CN(Cc3cc(F)c(F)cc3F)CCO2)c1 with halo.,Oc1cccc([C@H]2CN(Cc3cc(F)c(F)cc3F)CCO2)c1,hydroxyl,halo
49946,Please replace a halo in the molecule Cc1cccc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 with nitrile.,Cc1cccc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(F)ccc2F)c1,halo,nitrile
159968,Replace a halo in the molecule CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 by thiol.,CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1,halo,thiol
26737,Substitute a hydroxyl in the molecule CC(C)[NH+]1C[C@H](C)[C@@H](N[C@@H](C)CO)C1 with nitrile.,CC(C)[NH+]1C[C@H](C)[C@@H](N[C@@H](C)CO)C1,hydroxyl,nitrile
138957,Modify the molecule CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)c1ccccc1C by replacing a halo by carboxyl.,CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)c1ccccc1C,halo,carboxyl
237127,Please replace a nitro in the molecule O=C1C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 with thiol.,O=C1C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21,nitro,thiol
28144,Please replace a halo in the molecule C[S@](=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 with thiol.,C[S@](=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1,halo,thiol
167892,Please replace a halo in the molecule CCOc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)c(Br)c1 with nitrile.,CCOc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)c(Br)c1,halo,nitrile
15789,Modify the molecule CCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1 by replacing a hydroxyl by aldehyde.,CCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1,hydroxyl,aldehyde
176876,Please replace a halo in the molecule O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1 with carboxyl.,O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1,halo,carboxyl
104700,Modify the molecule CS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 by replacing a nitro by carboxyl.,CS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1,nitro,carboxyl
160061,Modify the molecule COc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCCC2 by replacing a hydroxyl by aldehyde.,COc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCCC2,hydroxyl,aldehyde
36184,Substitute a halo in the molecule CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O with carboxyl.,CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O,halo,carboxyl
156375,Substitute a halo in the molecule O=S1(=O)C[C@H]2N=C(Nc3cccc(C(F)(F)F)c3)S[C@H]2C1 with carboxyl.,O=S1(=O)C[C@H]2N=C(Nc3cccc(C(F)(F)F)c3)S[C@H]2C1,halo,carboxyl
208712,Modify the molecule O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1 by replacing a halo by thiol.,O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1,halo,thiol
226036,Modify the molecule Cc1cccc2[nH+]c(CNCc3ccc(Cl)nc3)cn12 by substituting a halo with nitro.,Cc1cccc2[nH+]c(CNCc3ccc(Cl)nc3)cn12,halo,nitro
221222,Modify the molecule CCN1CCO[C@H](C(=O)c2cc(Cl)cnc2N)C1 by replacing a halo by thiol.,CCN1CCO[C@H](C(=O)c2cc(Cl)cnc2N)C1,halo,thiol
228074,Replace a halo in the molecule NC1=NC(=O)[C@@](Cc2c(F)cccc2Cl)(c2ccccc2)N1 by carboxyl.,NC1=NC(=O)[C@@](Cc2c(F)cccc2Cl)(c2ccccc2)N1,halo,carboxyl
193007,Please substitute a hydroxyl in the molecule O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1c2ccccc2C[C@H]1O by halo.,O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1c2ccccc2C[C@H]1O,hydroxyl,halo
161640,Substitute a halo in the molecule C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)Nc3cccc(F)c3)nc3ccccc32)C1 with carboxyl.,C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)Nc3cccc(F)c3)nc3ccccc32)C1,halo,carboxyl
197277,Please replace a halo in the molecule O=C(Cc1ccc(F)cc1F)OCc1nc2ccccc2[nH]1 with nitro.,O=C(Cc1ccc(F)cc1F)OCc1nc2ccccc2[nH]1,halo,nitro
131917,Please replace a hydroxyl in the molecule CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCC2 with halo.,CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCC2,hydroxyl,halo
246729,Replace a halo in the molecule O=C([C@@H](O)c1ccccc1)N1CCC(OCc2ccc(F)cc2)CC1 by hydroxyl.,O=C([C@@H](O)c1ccccc1)N1CCC(OCc2ccc(F)cc2)CC1,halo,hydroxyl
110263,Modify the molecule CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)CO)C1 by replacing a hydroxyl by thiol.,CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)CO)C1,hydroxyl,thiol
157280,Please substitute a hydroxyl in the molecule CC[C@@](C)([C@@H](O)CCC1CC1)[NH+](C)C by thiol.,CC[C@@](C)([C@@H](O)CCC1CC1)[NH+](C)C,hydroxyl,thiol
48722,Please replace a halo in the molecule O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 with nitro.,O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1,halo,nitro
75598,Modify the molecule O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1cccc(O)c1 by replacing a hydroxyl by nitrile.,O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1cccc(O)c1,hydroxyl,nitrile
27633,Please substitute a halo in the molecule Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl by thiol.,Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl,halo,thiol
213807,Modify the molecule CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)C1CC1 by substituting a halo with aldehyde.,CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)C1CC1,halo,aldehyde
228379,Please substitute a halo in the molecule Nc1cc(Cl)c(Cl)cc1-n1cccn1 by thiol.,Nc1cc(Cl)c(Cl)cc1-n1cccn1,halo,thiol
177808,Substitute a halo in the molecule O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(Cl)c1 with hydroxyl.,O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(Cl)c1,halo,hydroxyl
203137,Modify the molecule COc1cc(Cl)ccc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 by substituting a nitrile with carboxyl.,COc1cc(Cl)ccc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1,nitrile,carboxyl
119644,Please substitute a nitrile in the molecule CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 by thiol.,CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1,nitrile,thiol
152705,Modify the molecule N#CCn1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2[O-])c2ccccc21 by substituting a halo with carboxyl.,N#CCn1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2[O-])c2ccccc21,halo,carboxyl
131318,Modify the molecule C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nccn1C(F)F by substituting a halo with aldehyde.,C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nccn1C(F)F,halo,aldehyde
247519,Modify the molecule CC[NH+](CCO)CCn1c(=O)oc2cccnc21 by replacing a hydroxyl by thiol.,CC[NH+](CCO)CCn1c(=O)oc2cccnc21,hydroxyl,thiol
241524,Replace a halo in the molecule CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O by aldehyde.,CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O,halo,aldehyde
106051,Modify the molecule CN(C)S(=O)(=O)Oc1ccc(Cl)c2cccnc12 by replacing a halo by nitro.,CN(C)S(=O)(=O)Oc1ccc(Cl)c2cccnc12,halo,nitro
176555,Please substitute a hydroxyl in the molecule Cc1nnc(N/C(=N/O)c2cccc([N+](=O)[O-])c2)s1 by aldehyde.,Cc1nnc(N/C(=N/O)c2cccc([N+](=O)[O-])c2)s1,hydroxyl,aldehyde
206522,Please substitute a nitro in the molecule O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc([N+](=O)[O-])c1 by nitrile.,O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc([N+](=O)[O-])c1,nitro,nitrile
128584,Please substitute a hydroxyl in the molecule COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)cc1 by halo.,COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)cc1,hydroxyl,halo
151223,Replace a halo in the molecule O=C(NC[C@H]1CCCO1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O by carboxyl.,O=C(NC[C@H]1CCCO1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O,halo,carboxyl
116567,Substitute a halo in the molecule COc1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1 with aldehyde.,COc1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1,halo,aldehyde
77239,Replace a halo in the molecule CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccccc2[nH+]1 by hydroxyl.,CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccccc2[nH+]1,halo,hydroxyl
92199,Substitute a halo in the molecule CC(C)n1cnnc1[S@@](=O)Cc1ccc(Cl)cc1Cl with nitro.,CC(C)n1cnnc1[S@@](=O)Cc1ccc(Cl)cc1Cl,halo,nitro
52172,Substitute a halo in the molecule C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 with aldehyde.,C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1,halo,aldehyde
66875,Please substitute a halo in the molecule COc1cccc2c1OC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C2 by hydroxyl.,COc1cccc2c1OC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C2,halo,hydroxyl
107539,Substitute a halo in the molecule Cc1cncc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 with nitrile.,Cc1cncc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1,halo,nitrile
47947,Please substitute a nitro in the molecule CNc1cc(CN2C[C@@H](C)CC2=O)ccc1[N+](=O)[O-] by hydroxyl.,CNc1cc(CN2C[C@@H](C)CC2=O)ccc1[N+](=O)[O-],nitro,hydroxyl
2738,Substitute a halo in the molecule Cc1noc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 with hydroxyl.,Cc1noc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1,halo,hydroxyl
324,Modify the molecule CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 by substituting a halo with aldehyde.,CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1,halo,aldehyde
27968,Please replace a halo in the molecule C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1nc(C)c(Cl)c1C with carboxyl.,C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1nc(C)c(Cl)c1C,halo,carboxyl
58083,Replace a halo in the molecule CS(=O)(=O)CCOCCNc1ncc(Cl)cc1F by carboxyl.,CS(=O)(=O)CCOCCNc1ncc(Cl)cc1F,halo,carboxyl
207283,Please substitute a halo in the molecule CC(=O)N[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)C1CCCC1 by aldehyde.,CC(=O)N[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)C1CCCC1,halo,aldehyde
228793,Modify the molecule CC1=C2[C@H](c3ccccc3F)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 by substituting a halo with thiol.,CC1=C2[C@H](c3ccccc3F)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1,halo,thiol
103038,Replace a halo in the molecule C[NH+]1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1 by nitro.,C[NH+]1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1,halo,nitro
218947,Modify the molecule O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1ccc(Br)s1 by replacing a halo by hydroxyl.,O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1ccc(Br)s1,halo,hydroxyl
242656,Replace a halo in the molecule COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 by nitrile.,COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1,halo,nitrile
13620,Substitute a halo in the molecule C[C@H]([NH3+])c1nc2ccc(Cl)cc2n1Cc1ccccc1 with carboxyl.,C[C@H]([NH3+])c1nc2ccc(Cl)cc2n1Cc1ccccc1,halo,carboxyl
83185,Please substitute a hydroxyl in the molecule COc1cc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)ccc1O by halo.,COc1cc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)ccc1O,hydroxyl,halo
230089,Please replace a halo in the molecule O=C(Cl)c1nc2ccccc2[nH]1 with thiol.,O=C(Cl)c1nc2ccccc2[nH]1,halo,thiol
53956,Substitute a halo in the molecule CC[C@@](C)(C#N)[C@H](O)c1cccc(Cl)c1Cl with nitrile.,CC[C@@](C)(C#N)[C@H](O)c1cccc(Cl)c1Cl,halo,nitrile
105312,Modify the molecule CCN(CC(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C by replacing a nitrile by nitro.,CCN(CC(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C,nitrile,nitro
48874,Modify the molecule O=C(NCc1ccccc1CN1CCCC1=O)N[C@@H]1CCCC[C@H]1CO by replacing a hydroxyl by halo.,O=C(NCc1ccccc1CN1CCCC1=O)N[C@@H]1CCCC[C@H]1CO,hydroxyl,halo
93503,Please replace a nitrile in the molecule N#C/C(=C\[C@H]1C=NN=C1c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 with carboxyl.,N#C/C(=C\[C@H]1C=NN=C1c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1,nitrile,carboxyl
141365,Replace a nitrile in the molecule C[C@@H]1CCC[C@H](NC(=O)CSc2nc(N)c(C#N)cc2C#N)[C@@H]1C by thiol.,C[C@@H]1CCC[C@H](NC(=O)CSc2nc(N)c(C#N)cc2C#N)[C@@H]1C,nitrile,thiol
32585,Substitute a halo in the molecule COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1CC1 with aldehyde.,COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1CC1,halo,aldehyde
33446,Modify the molecule Cc1occc1-c1nnc(SCC(=O)Nc2cccc(I)c2)n1C by substituting a halo with hydroxyl.,Cc1occc1-c1nnc(SCC(=O)Nc2cccc(I)c2)n1C,halo,hydroxyl
104448,Please replace a halo in the molecule O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 with aldehyde.,O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1,halo,aldehyde
198674,Modify the molecule NNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 by replacing a hydroxyl by aldehyde.,NNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1,hydroxyl,aldehyde
134688,Please replace a halo in the molecule Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(F)cc2F)n1 with nitrile.,Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(F)cc2F)n1,halo,nitrile
47394,Please replace a hydroxyl in the molecule O=C(Cc1cccs1)NC[C@@]1(O)CCSC1 with aldehyde.,O=C(Cc1cccs1)NC[C@@]1(O)CCSC1,hydroxyl,aldehyde
235465,Replace a hydroxyl in the molecule O=C(NCc1ccccc1CN1CCOCC1)N[C@@H]1CCCC[C@@H]1CO by halo.,O=C(NCc1ccccc1CN1CCOCC1)N[C@@H]1CCCC[C@@H]1CO,hydroxyl,halo
165676,Please substitute a halo in the molecule CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 by aldehyde.,CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1,halo,aldehyde
244233,Modify the molecule COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc2c1 by substituting a halo with thiol.,COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc2c1,halo,thiol
38918,Replace a halo in the molecule Fc1ccc2[nH]c([C@@H]3CCC[NH+]3Cc3c[nH+]cn3C3CCCCC3)nc2c1 by hydroxyl.,Fc1ccc2[nH]c([C@@H]3CCC[NH+]3Cc3c[nH+]cn3C3CCCCC3)nc2c1,halo,hydroxyl
107338,Please replace a halo in the molecule O=C(Nc1ccc(C[S@](=O)c2ccc(Cl)cc2)cc1)c1ccccc1 with nitrile.,O=C(Nc1ccc(C[S@](=O)c2ccc(Cl)cc2)cc1)c1ccccc1,halo,nitrile
163809,Substitute a halo in the molecule Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl with carboxyl.,Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl,halo,carboxyl
172270,Please replace a hydroxyl in the molecule C/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(O)c1O with nitro.,C/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(O)c1O,hydroxyl,nitro
210768,Modify the molecule O=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)cc(Cl)c1 by substituting a halo with nitrile.,O=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)cc(Cl)c1,halo,nitrile
52100,Please replace a halo in the molecule O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1 with hydroxyl.,O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1,halo,hydroxyl
28137,Modify the molecule C/C(=N\OC(=O)c1cc(F)ccc1F)c1ccncc1 by replacing a halo by nitro.,C/C(=N\OC(=O)c1cc(F)ccc1F)c1ccncc1,halo,nitro
129260,Modify the molecule N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1ccccn1 by substituting a nitrile with aldehyde.,N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1ccccn1,nitrile,aldehyde
13851,Modify the molecule CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 by replacing a halo by aldehyde.,CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1,halo,aldehyde
146379,Please substitute a halo in the molecule O=C([O-])C[C@@H](Br)C(=O)c1ccc2c(c1)CCC2 by hydroxyl.,O=C([O-])C[C@@H](Br)C(=O)c1ccc2c(c1)CCC2,halo,hydroxyl
24722,Modify the molecule C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[C@@H](C)O by replacing a hydroxyl by halo.,C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[C@@H](C)O,hydroxyl,halo
60089,Substitute a nitro in the molecule O=[N+]([O-])c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1 with aldehyde.,O=[N+]([O-])c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1,nitro,aldehyde
73752,Please substitute a nitrile in the molecule COCCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl by nitro.,COCCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl,nitrile,nitro
209540,Please replace a hydroxyl in the molecule CC(C)(O)CC[NH2+][C@@H]1CCCc2sccc21 with aldehyde.,CC(C)(O)CC[NH2+][C@@H]1CCCc2sccc21,hydroxyl,aldehyde
120107,Substitute a nitrile in the molecule C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncnn1C with thiol.,C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncnn1C,nitrile,thiol
136154,Replace a halo in the molecule C[NH2+]Cc1ncoc1-c1ccc(Br)cc1F by nitrile.,C[NH2+]Cc1ncoc1-c1ccc(Br)cc1F,halo,nitrile
166598,Substitute a halo in the molecule O=C1C[C@H](NS(=O)(=O)N2CCCC2)CN1Cc1ccccc1Cl with nitrile.,O=C1C[C@H](NS(=O)(=O)N2CCCC2)CN1Cc1ccccc1Cl,halo,nitrile
44861,Replace a nitrile in the molecule COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 by aldehyde.,COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1,nitrile,aldehyde
86019,Substitute a halo in the molecule CC(C)n1cc(Br)cc1C(=O)NCCC(=O)NC1CC1 with nitrile.,CC(C)n1cc(Br)cc1C(=O)NCCC(=O)NC1CC1,halo,nitrile
61592,Modify the molecule CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 by substituting a halo with nitrile.,CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1,halo,nitrile
132013,Please replace a halo in the molecule O=C(NCc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)cc1F with nitro.,O=C(NCc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)cc1F,halo,nitro
115142,Substitute a halo in the molecule O=C(CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 with carboxyl.,O=C(CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1,halo,carboxyl
8249,Modify the molecule COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccccc4F)CC3)n2)cc1 by substituting a halo with aldehyde.,COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccccc4F)CC3)n2)cc1,halo,aldehyde
249388,Replace a halo in the molecule CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1 by hydroxyl.,CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1,halo,hydroxyl
118379,Modify the molecule CN(NC(=O)c1ccc(I)cc1)c1ccccc1 by replacing a halo by aldehyde.,CN(NC(=O)c1ccc(I)cc1)c1ccccc1,halo,aldehyde
150679,Please substitute a halo in the molecule O=C(NCCOc1ccccc1)C1=Cc2cc(F)ccc2OC1 by hydroxyl.,O=C(NCCOc1ccccc1)C1=Cc2cc(F)ccc2OC1,halo,hydroxyl
95341,Modify the molecule CC(C)(C)OC(=O)N1CCC[C@@H](C[S@@](=O)c2cc(Cl)ncn2)C1 by replacing a halo by thiol.,CC(C)(C)OC(=O)N1CCC[C@@H](C[S@@](=O)c2cc(Cl)ncn2)C1,halo,thiol
212237,Please substitute a halo in the molecule CCOC(=O)[C@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1 by thiol.,CCOC(=O)[C@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1,halo,thiol
212915,Please substitute a halo in the molecule CC[NH2+][C@@H](c1cc(C)cc(C)c1)c1ccc(Cl)cn1 by carboxyl.,CC[NH2+][C@@H](c1cc(C)cc(C)c1)c1ccc(Cl)cn1,halo,carboxyl
62907,Please replace a hydroxyl in the molecule C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)[C@H]1CO with nitrile.,C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)[C@H]1CO,hydroxyl,nitrile
82152,Replace a halo in the molecule Cc1nc(S(=O)(=O)Oc2cccc(Cl)c2Cl)cn1C by hydroxyl.,Cc1nc(S(=O)(=O)Oc2cccc(Cl)c2Cl)cn1C,halo,hydroxyl
44427,Substitute a halo in the molecule CCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C with carboxyl.,CCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C,halo,carboxyl
158561,Replace a halo in the molecule O=C(COc1ccc2nccnc2c1)Nc1ccccc1Cl by aldehyde.,O=C(COc1ccc2nccnc2c1)Nc1ccccc1Cl,halo,aldehyde
222749,Modify the molecule COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c1 by substituting a halo with nitro.,COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c1,halo,nitro
86581,Modify the molecule CC(C)(C)OC(=O)NC[C@H]1CCC[NH+]1CC(=O)Nc1sccc1C#N by substituting a nitrile with carboxyl.,CC(C)(C)OC(=O)NC[C@H]1CCC[NH+]1CC(=O)Nc1sccc1C#N,nitrile,carboxyl
126091,Modify the molecule Clc1cc(Cl)cc(C[NH2+]Cc2cccc(Cn3cncn3)c2)c1 by substituting a halo with carboxyl.,Clc1cc(Cl)cc(C[NH2+]Cc2cccc(Cn3cncn3)c2)c1,halo,carboxyl
75740,Modify the molecule Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1F by substituting a halo with hydroxyl.,Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1F,halo,hydroxyl
48370,Substitute a halo in the molecule [NH3+]C[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1Cl with hydroxyl.,[NH3+]C[C@@H]1CCC[C@H]1Nc1cc[nH+]cc1Cl,halo,hydroxyl
152066,Modify the molecule C[C@@H](c1cccc(F)c1)N1C[C@H](C)C[C@@H]([NH3+])C1 by replacing a halo by carboxyl.,C[C@@H](c1cccc(F)c1)N1C[C@H](C)C[C@@H]([NH3+])C1,halo,carboxyl
244362,Please substitute a hydroxyl in the molecule CC[C@H](CCO)CNC(=O)[C@H]1CCCC[NH2+]1 by nitrile.,CC[C@H](CCO)CNC(=O)[C@H]1CCCC[NH2+]1,hydroxyl,nitrile
70319,Modify the molecule Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)n(C)n1 by substituting a halo with nitrile.,Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)n(C)n1,halo,nitrile
134251,Modify the molecule Nc1ccc(Cl)nc1C(=O)OCc1nc(-c2ccsc2)no1 by substituting a halo with carboxyl.,Nc1ccc(Cl)nc1C(=O)OCc1nc(-c2ccsc2)no1,halo,carboxyl
104771,Modify the molecule C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 by substituting a halo with thiol.,C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1,halo,thiol
174114,Modify the molecule CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)C1CCCC1 by replacing a hydroxyl by carboxyl.,CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)C1CCCC1,hydroxyl,carboxyl
226359,Modify the molecule COC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 by replacing a nitrile by aldehyde.,COC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1,nitrile,aldehyde
90658,Modify the molecule C[C@H]1CCC[C@H](CCNC(=O)NC(CO)CO)C1 by replacing a hydroxyl by nitrile.,C[C@H]1CCC[C@H](CCNC(=O)NC(CO)CO)C1,hydroxyl,nitrile
69731,Please replace a halo in the molecule C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 with aldehyde.,C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1,halo,aldehyde
69178,Please substitute a halo in the molecule CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 by carboxyl.,CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1,halo,carboxyl
27532,Modify the molecule CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O by substituting a halo with aldehyde.,CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O,halo,aldehyde
86108,Substitute a halo in the molecule Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 with nitro.,Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12,halo,nitro
34095,Replace a hydroxyl in the molecule C[C@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc2ccccc2c1 by nitro.,C[C@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc2ccccc2c1,hydroxyl,nitro
112996,Modify the molecule N#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCCO)cc2)C1 by substituting a hydroxyl with carboxyl.,N#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCCO)cc2)C1,hydroxyl,carboxyl
218910,Please replace a halo in the molecule CSCc1cc(F)ccc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 with nitro.,CSCc1cc(F)ccc1CNC(=O)C1CCN(C(=O)C2CC2)CC1,halo,nitro
154255,Replace a hydroxyl in the molecule C[C@@H](CNC(=O)CC1(O)CCCC1)c1ccsc1 by nitro.,C[C@@H](CNC(=O)CC1(O)CCCC1)c1ccsc1,hydroxyl,nitro
142119,Please substitute a halo in the molecule COc1cc(C[NH2+][C@@H]2CCc3c(Br)cccc32)ccc1O by nitrile.,COc1cc(C[NH2+][C@@H]2CCc3c(Br)cccc32)ccc1O,halo,nitrile
175783,Substitute a halo in the molecule NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1 with aldehyde.,NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1,halo,aldehyde
7649,Modify the molecule CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2sccc21 by replacing a halo by thiol.,CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2sccc21,halo,thiol
239906,Please replace a halo in the molecule COC(=O)CNS(=O)(=O)Nc1ccccc1C(F)(F)F with nitrile.,COC(=O)CNS(=O)(=O)Nc1ccccc1C(F)(F)F,halo,nitrile
102830,Replace a halo in the molecule O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 by thiol.,O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1,halo,thiol
77814,Please replace a halo in the molecule Cc1cc2cn[nH]c2cc1NC(=O)C(=O)N[C@H]1CCCc2ccc(F)cc21 with nitrile.,Cc1cc2cn[nH]c2cc1NC(=O)C(=O)N[C@H]1CCCc2ccc(F)cc21,halo,nitrile
124099,Please substitute a halo in the molecule O=C1O[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c2ccccc21 by aldehyde.,O=C1O[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c2ccccc21,halo,aldehyde
206299,Substitute a halo in the molecule O=C(CSC1=NCCS1)Nc1ccc(C(F)(F)F)cc1 with nitro.,O=C(CSC1=NCCS1)Nc1ccc(C(F)(F)F)cc1,halo,nitro
131222,Please replace a halo in the molecule Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(Cc2ccccc2)n1 with thiol.,Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(Cc2ccccc2)n1,halo,thiol
162453,Modify the molecule Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C by substituting a halo with nitrile.,Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C,halo,nitrile
26582,Replace a hydroxyl in the molecule O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO by halo.,O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO,hydroxyl,halo
95722,Please substitute a halo in the molecule C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](c2ccccc2)O1 by thiol.,C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](c2ccccc2)O1,halo,thiol
211349,Replace a halo in the molecule O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCN(c2ccccc2)CC1 by nitro.,O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCN(c2ccccc2)CC1,halo,nitro
123418,Modify the molecule CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 by substituting a halo with hydroxyl.,CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1,halo,hydroxyl
3264,Please substitute a halo in the molecule CCOC(=O)[C@H]1CCCC[NH+]1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 by carboxyl.,CCOC(=O)[C@H]1CCCC[NH+]1Cc1cc(=O)oc2cc(CC)c(Cl)cc12,halo,carboxyl
119352,Modify the molecule COc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)c1 by substituting a halo with carboxyl.,COc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)c1,halo,carboxyl
154427,Replace a nitro in the molecule N#C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] by nitrile.,N#C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-],nitro,nitrile
183711,Replace a halo in the molecule CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 by thiol.,CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1,halo,thiol
107759,Please substitute a halo in the molecule COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)ccc1F by nitro.,COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)ccc1F,halo,nitro
57914,Substitute a halo in the molecule CC(C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 with carboxyl.,CC(C)CC(=O)N[C@@H](C)c1ccc(Cl)s1,halo,carboxyl
98688,Please substitute a hydroxyl in the molecule COc1ccc2c(c1)[C@H](O)[C@H](N1CC[NH+](C)[C@@H](C)C1)C2 by nitrile.,COc1ccc2c(c1)[C@H](O)[C@H](N1CC[NH+](C)[C@@H](C)C1)C2,hydroxyl,nitrile
153815,Substitute a halo in the molecule CCNC(=O)CCn1ncc2c(Cl)cccc21 with nitrile.,CCNC(=O)CCn1ncc2c(Cl)cccc21,halo,nitrile
167253,Modify the molecule CCc1c(C[NH2+]C2CC2)cnn1-c1cccc(Cl)c1 by replacing a halo by nitro.,CCc1c(C[NH2+]C2CC2)cnn1-c1cccc(Cl)c1,halo,nitro
112959,Substitute a halo in the molecule Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1 with thiol.,Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1,halo,thiol
120369,Replace a hydroxyl in the molecule C[C@@H](O)Cc1nc2ccccc2[nH]1 by aldehyde.,C[C@@H](O)Cc1nc2ccccc2[nH]1,hydroxyl,aldehyde
123826,Substitute a halo in the molecule CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O with nitrile.,CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O,halo,nitrile
241337,Substitute a halo in the molecule Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 with thiol.,Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1,halo,thiol
184435,Please substitute a halo in the molecule C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCC[C@H]1C by aldehyde.,C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCC[C@H]1C,halo,aldehyde
81173,Please substitute a nitro in the molecule COc1cccc2sc(NCC(=O)c3ccc([N+](=O)[O-])cc3)nc12 by hydroxyl.,COc1cccc2sc(NCC(=O)c3ccc([N+](=O)[O-])cc3)nc12,nitro,hydroxyl
199782,Substitute a halo in the molecule CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1 with thiol.,CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1,halo,thiol
187439,Please substitute a halo in the molecule Cc1cccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1Cl by carboxyl.,Cc1cccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1Cl,halo,carboxyl
175446,Substitute a halo in the molecule CN(CCc1ccccc1)C(=O)NCc1ccccc1Cl with aldehyde.,CN(CCc1ccccc1)C(=O)NCc1ccccc1Cl,halo,aldehyde
219609,Substitute a halo in the molecule N#CC1=C2CCCN2c2ccc(F)cc2S1(=O)=O with carboxyl.,N#CC1=C2CCCN2c2ccc(F)cc2S1(=O)=O,halo,carboxyl
212471,Modify the molecule C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)Nc1cccc(Cl)c1 by replacing a halo by thiol.,C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)Nc1cccc(Cl)c1,halo,thiol
141078,Please substitute a halo in the molecule COCCn1cc(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 by nitrile.,COCCn1cc(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1,halo,nitrile
181306,Substitute a hydroxyl in the molecule O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO with halo.,O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO,hydroxyl,halo
82009,Modify the molecule CO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 by replacing a nitro by hydroxyl.,CO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1,nitro,hydroxyl
49990,Replace a hydroxyl in the molecule COc1ccc(C(C)C)cc1S(=O)(=O)N1CC[C@@H](c2cc3nc(C)cc(O)n3n2)C1 by thiol.,COc1ccc(C(C)C)cc1S(=O)(=O)N1CC[C@@H](c2cc3nc(C)cc(O)n3n2)C1,hydroxyl,thiol
190584,Please replace a hydroxyl in the molecule OCC/N=C1/CCCc2c1[nH]c1ccccc21 with carboxyl.,OCC/N=C1/CCCc2c1[nH]c1ccccc21,hydroxyl,carboxyl
64224,Modify the molecule COc1cc(NC(=O)c2scnc2C2CC2)ccc1Br by substituting a halo with carboxyl.,COc1cc(NC(=O)c2scnc2C2CC2)ccc1Br,halo,carboxyl
197345,Modify the molecule CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O by substituting a halo with thiol.,CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O,halo,thiol
148419,Substitute a halo in the molecule CC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nccn3c2=O)c1 with aldehyde.,CC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nccn3c2=O)c1,halo,aldehyde
205135,Replace a nitro in the molecule O=C1C[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 by carboxyl.,O=C1C[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1,nitro,carboxyl
41206,Replace a halo in the molecule C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc[nH]n1 by hydroxyl.,C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc[nH]n1,halo,hydroxyl
60252,Substitute a halo in the molecule O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 with nitrile.,O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1,halo,nitrile
110710,Please replace a hydroxyl in the molecule CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O with nitrile.,CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O,hydroxyl,nitrile
83426,Please substitute a halo in the molecule CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl by hydroxyl.,CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl,halo,hydroxyl
225140,Please substitute a thiol in the molecule C=CC(=O)N(C(=O)C=C)[C@H](CS)C(=O)[O-] by nitrile.,C=CC(=O)N(C(=O)C=C)[C@H](CS)C(=O)[O-],thiol,nitrile
239718,Modify the molecule O=C1/C(=C/c2ccc(Cl)c(Cl)c2)C([O-])=NC(=S)N1c1ccccc1F by substituting a halo with carboxyl.,O=C1/C(=C/c2ccc(Cl)c(Cl)c2)C([O-])=NC(=S)N1c1ccccc1F,halo,carboxyl
44642,Please substitute a hydroxyl in the molecule C[C@H](O)c1ccn(Cc2ccc(Cl)cc2Cl)c1 by carboxyl.,C[C@H](O)c1ccn(Cc2ccc(Cl)cc2Cl)c1,hydroxyl,carboxyl
236531,Replace a halo in the molecule Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1[nH+]ccn1C by thiol.,Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1[nH+]ccn1C,halo,thiol
22182,Substitute a halo in the molecule Cc1cc([C@H]2OCCC[C@H]2CCl)c(C)s1 with hydroxyl.,Cc1cc([C@H]2OCCC[C@H]2CCl)c(C)s1,halo,hydroxyl
8963,Substitute a halo in the molecule C[C@H]1CCC[NH+](CCNC(=O)c2cc(Cl)c[nH]2)C1 with carboxyl.,C[C@H]1CCC[NH+](CCNC(=O)c2cc(Cl)c[nH]2)C1,halo,carboxyl
62831,Substitute a halo in the molecule CC(C)(C)c1csc(C[C@@H](C[NH3+])c2cccc(Cl)c2)n1 with thiol.,CC(C)(C)c1csc(C[C@@H](C[NH3+])c2cccc(Cl)c2)n1,halo,thiol
5404,Please substitute a hydroxyl in the molecule CCC1(C(=O)NC2CCC(O)CC2)CCCC1 by nitro.,CCC1(C(=O)NC2CCC(O)CC2)CCCC1,hydroxyl,nitro
182098,Replace a halo in the molecule CC1=C(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)SCCO1 by thiol.,CC1=C(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)SCCO1,halo,thiol
51340,Modify the molecule CCC[NH2+][C@H](c1ccncc1)c1ccc(Cl)cc1F by replacing a halo by carboxyl.,CCC[NH2+][C@H](c1ccncc1)c1ccc(Cl)cc1F,halo,carboxyl
72937,Modify the molecule C[C@H]1CCCC[C@@H]1CNc1nc(Cl)ncc1F by replacing a halo by nitro.,C[C@H]1CCCC[C@@H]1CNc1nc(Cl)ncc1F,halo,nitro
1390,Modify the molecule C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cscc1Br by replacing a halo by carboxyl.,C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cscc1Br,halo,carboxyl
135548,Replace a halo in the molecule Cc1ncc(Cl)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 by carboxyl.,Cc1ncc(Cl)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1,halo,carboxyl
162854,Please substitute a halo in the molecule Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1 by carboxyl.,Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1,halo,carboxyl
169634,Modify the molecule COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1C)C2=O by substituting a halo with carboxyl.,COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1C)C2=O,halo,carboxyl
128082,Substitute a nitrile in the molecule N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1 with carboxyl.,N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1,nitrile,carboxyl
49604,Substitute a halo in the molecule C[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cc(Cl)ccc2O1 with thiol.,C[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cc(Cl)ccc2O1,halo,thiol
55410,Modify the molecule O=C(CNC(=O)c1ccccc1I)NCCC1=CCCCC1 by substituting a halo with hydroxyl.,O=C(CNC(=O)c1ccccc1I)NCCC1=CCCCC1,halo,hydroxyl
155586,Modify the molecule O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 by substituting a halo with aldehyde.,O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1,halo,aldehyde
187565,Please replace a hydroxyl in the molecule Cc1cc(C)cc(CCNC(=O)NC[C@H]2CCC[C@@H]2O)c1 with thiol.,Cc1cc(C)cc(CCNC(=O)NC[C@H]2CCC[C@@H]2O)c1,hydroxyl,thiol
3745,Substitute a halo in the molecule O=C(Cc1cccc(F)c1)NCC(=O)N1CCCCC[C@@H]1c1ccncc1 with thiol.,O=C(Cc1cccc(F)c1)NCC(=O)N1CCCCC[C@@H]1c1ccncc1,halo,thiol
64259,Replace a halo in the molecule O=C(CNc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCCCC1 by aldehyde.,O=C(CNc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCCCC1,halo,aldehyde
37433,Modify the molecule CCN(C(=O)[C@H](C)S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 by substituting a halo with hydroxyl.,CCN(C(=O)[C@H](C)S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1,halo,hydroxyl
101749,Modify the molecule CC[N+](CC)=C1Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3F)cc21 by replacing a halo by carboxyl.,CC[N+](CC)=C1Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3F)cc21,halo,carboxyl
16399,Please substitute a hydroxyl in the molecule C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1O by nitro.,C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1O,hydroxyl,nitro
108378,Substitute a halo in the molecule O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 with nitrile.,O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1,halo,nitrile
193603,Modify the molecule CC[NH2+][C@]1(CO)CC[C@H](N2CC[C@H]([NH+](C)C)C2)C1 by replacing a hydroxyl by halo.,CC[NH2+][C@]1(CO)CC[C@H](N2CC[C@H]([NH+](C)C)C2)C1,hydroxyl,halo
70426,Replace a halo in the molecule FC(F)(F)c1cccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1 by nitrile.,FC(F)(F)c1cccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1,halo,nitrile
91324,Please replace a halo in the molecule Clc1ccc(SCCn2cccn2)cc1 with nitrile.,Clc1ccc(SCCn2cccn2)cc1,halo,nitrile
166274,Substitute a hydroxyl in the molecule COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccnc2C)cc1 with nitro.,COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccnc2C)cc1,hydroxyl,nitro
90921,Replace a halo in the molecule Cc1cccc2nc(C[NH+]3CCC(OCc4ccccc4F)CC3)cn12 by thiol.,Cc1cccc2nc(C[NH+]3CCC(OCc4ccccc4F)CC3)cn12,halo,thiol
85069,Please replace a nitrile in the molecule N#Cc1c(-c2ccco2)nn(-c2cnccn2)c1N with aldehyde.,N#Cc1c(-c2ccco2)nn(-c2cnccn2)c1N,nitrile,aldehyde
140016,Replace a hydroxyl in the molecule C[NH+]1CCN(C(=O)C[NH+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 by nitro.,C[NH+]1CCN(C(=O)C[NH+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1,hydroxyl,nitro
165924,Replace a hydroxyl in the molecule CC[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CC(=O)N2C by carboxyl.,CC[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CC(=O)N2C,hydroxyl,carboxyl
102958,Please replace a halo in the molecule C[C@H]1C[C@H](C)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 with aldehyde.,C[C@H]1C[C@H](C)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1,halo,aldehyde
197773,Please replace a halo in the molecule COc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)ccc2Cl)c(OC)c1 with hydroxyl.,COc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)ccc2Cl)c(OC)c1,halo,hydroxyl
216358,Modify the molecule N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 by substituting a nitrile with halo.,N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1,nitrile,halo
218217,Please replace a halo in the molecule Cl[C@@H](CC[C@H]1CCOC2(CCOCC2)C1)c1ccccc1 with thiol.,Cl[C@@H](CC[C@H]1CCOC2(CCOCC2)C1)c1ccccc1,halo,thiol
170891,Replace a nitrile in the molecule CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C#N)C2)c1C1CC1 by aldehyde.,CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C#N)C2)c1C1CC1,nitrile,aldehyde
162140,Replace a halo in the molecule COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 by nitrile.,COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1,halo,nitrile
180341,Please replace a halo in the molecule COc1ncnc2c1nc([C@@H](C)Cl)n2CCc1ccsc1 with thiol.,COc1ncnc2c1nc([C@@H](C)Cl)n2CCc1ccsc1,halo,thiol
68316,Modify the molecule CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 by replacing a halo by hydroxyl.,CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1,halo,hydroxyl
41737,Please replace a halo in the molecule O=C(c1ccnc(OC2CCC2)c1)N1CCOc2cc(F)ccc21 with nitro.,O=C(c1ccnc(OC2CCC2)c1)N1CCOc2cc(F)ccc21,halo,nitro
122411,Please replace a nitrile in the molecule CCC1C[NH+]([C@@H](CC)CC#N)C1 with halo.,CCC1C[NH+]([C@@H](CC)CC#N)C1,nitrile,halo
95552,Modify the molecule CC(C)=C[C@]1(O)CCc2ccccc21 by substituting a hydroxyl with carboxyl.,CC(C)=C[C@]1(O)CCc2ccccc21,hydroxyl,carboxyl
138127,Modify the molecule C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C1(O)CCCCC1 by substituting a hydroxyl with nitro.,C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C1(O)CCCCC1,hydroxyl,nitro
54820,Modify the molecule O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1 by replacing a halo by nitrile.,O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1,halo,nitrile
20978,Replace a hydroxyl in the molecule CC[C@@H](C(=O)N1CCC[C@@H](O)C1)c1ccccc1 by thiol.,CC[C@@H](C(=O)N1CCC[C@@H](O)C1)c1ccccc1,hydroxyl,thiol
15624,Replace a halo in the molecule CCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 by hydroxyl.,CCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1,halo,hydroxyl
232782,Please replace a halo in the molecule CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 with carboxyl.,CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1,halo,carboxyl
141447,Please replace a halo in the molecule CN1CCO[C@@H]([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccc(Cl)cc2)C1 with aldehyde.,CN1CCO[C@@H]([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccc(Cl)cc2)C1,halo,aldehyde
34332,Modify the molecule Fc1ccc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 by replacing a halo by thiol.,Fc1ccc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1,halo,thiol
58738,Replace a halo in the molecule C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@@]132 by aldehyde.,C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@@]132,halo,aldehyde
26248,Modify the molecule C[C@@H](CO)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 by replacing a hydroxyl by aldehyde.,C[C@@H](CO)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1,hydroxyl,aldehyde
162215,Please replace a halo in the molecule COC(=O)c1ccc(Cl)cc1OC(=O)c1csc(C)n1 with aldehyde.,COC(=O)c1ccc(Cl)cc1OC(=O)c1csc(C)n1,halo,aldehyde
154972,Modify the molecule N#C[C@@H]1COCCN1Cc1ccc(-c2c(F)cccc2F)o1 by replacing a halo by thiol.,N#C[C@@H]1COCCN1Cc1ccc(-c2c(F)cccc2F)o1,halo,thiol
221669,Modify the molecule COc1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1F by substituting a halo with thiol.,COc1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1F,halo,thiol
235158,Please replace a halo in the molecule COC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 with hydroxyl.,COC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1,halo,hydroxyl
93475,Please substitute a hydroxyl in the molecule COc1ccc(C)cc1NC(=O)N[C@H](CCCO)c1ccccc1 by nitro.,COc1ccc(C)cc1NC(=O)N[C@H](CCCO)c1ccccc1,hydroxyl,nitro
135787,Substitute a halo in the molecule CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)c1ccc(F)nc1 with nitrile.,CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)c1ccc(F)nc1,halo,nitrile
78528,Modify the molecule Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(NC[C@@H]2CCCO2)=NC1=O by replacing a halo by thiol.,Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(NC[C@@H]2CCCO2)=NC1=O,halo,thiol
122979,Please replace a nitrile in the molecule C=CCCC[C@@H](C)[NH+]1CCN(CC#N)CC1 with thiol.,C=CCCC[C@@H](C)[NH+]1CCN(CC#N)CC1,nitrile,thiol
187964,Modify the molecule CC(C)Cn1nc(-c2ccccc2F)ccc1=O by replacing a halo by thiol.,CC(C)Cn1nc(-c2ccccc2F)ccc1=O,halo,thiol
129087,Modify the molecule C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1F by replacing a halo by nitro.,C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1F,halo,nitro
38608,Please replace a nitrile in the molecule N#Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 with aldehyde.,N#Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1,nitrile,aldehyde
245317,Substitute a hydroxyl in the molecule CCCc1cc(OC)cc(O)c1[C@@H]1[NH+]=NC=C1c1ccc2c(c1)OCCO2 with nitro.,CCCc1cc(OC)cc(O)c1[C@@H]1[NH+]=NC=C1c1ccc2c(c1)OCCO2,hydroxyl,nitro
48925,Please replace a nitrile in the molecule N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1 with halo.,N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1,nitrile,halo
144650,Please replace a halo in the molecule CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](c1ccccc1F)C1CCCC1 with carboxyl.,CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](c1ccccc1F)C1CCCC1,halo,carboxyl
169879,Modify the molecule O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 by substituting a nitro with aldehyde.,O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc([N+](=O)[O-])cc12,nitro,aldehyde
231739,Replace a halo in the molecule C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)[C@@H]1C by aldehyde.,C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)[C@@H]1C,halo,aldehyde
114639,Modify the molecule Clc1cccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)c1 by substituting a halo with carboxyl.,Clc1cccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)c1,halo,carboxyl
69037,Modify the molecule CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 by substituting a nitrile with halo.,CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1,nitrile,halo
195608,Substitute a halo in the molecule Cc1cc(NC(=O)NC[C@H](O)c2ccccc2F)c2ncccc2c1 with hydroxyl.,Cc1cc(NC(=O)NC[C@H](O)c2ccccc2F)c2ncccc2c1,halo,hydroxyl
97877,Please replace a halo in the molecule C[C@@H]([NH2+]C[C@H]1C[C@@]12CCc1ccccc12)c1ccc(S(C)(=O)=O)c(F)c1 with aldehyde.,C[C@@H]([NH2+]C[C@H]1C[C@@]12CCc1ccccc12)c1ccc(S(C)(=O)=O)c(F)c1,halo,aldehyde
78810,Modify the molecule COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccccc1Cl by replacing a halo by hydroxyl.,COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccccc1Cl,halo,hydroxyl
203292,Please substitute a halo in the molecule Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H](C)C(C)C by nitro.,Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H](C)C(C)C,halo,nitro
38545,Substitute a halo in the molecule CCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br with nitro.,CCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br,halo,nitro
59136,Modify the molecule C/C(=N/[NH+]=C(\N)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O)c1cccs1 by replacing a halo by nitro.,C/C(=N/[NH+]=C(\N)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O)c1cccs1,halo,nitro
105908,Please replace a nitro in the molecule O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 with carboxyl.,O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1,nitro,carboxyl
15285,Replace a halo in the molecule COC[C@@H](NC(=O)Nc1ccc(C)nc1Cl)c1ccc(F)c(F)c1 by hydroxyl.,COC[C@@H](NC(=O)Nc1ccc(C)nc1Cl)c1ccc(F)c(F)c1,halo,hydroxyl
28171,Modify the molecule CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(C)=O by replacing a halo by aldehyde.,CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(C)=O,halo,aldehyde
66446,Modify the molecule CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C by substituting a nitrile with thiol.,CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C,nitrile,thiol
234997,Please substitute a nitro in the molecule Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1C by halo.,Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1C,nitro,halo
49421,Substitute a halo in the molecule CN(CCCCCBr)C[C@H]1CCC[NH+]1C with thiol.,CN(CCCCCBr)C[C@H]1CCC[NH+]1C,halo,thiol
27536,Please replace a halo in the molecule C[C@@H]1CN(C(=O)Cc2ccon2)c2cc(F)ccc2C(=O)N1 with thiol.,C[C@@H]1CN(C(=O)Cc2ccon2)c2cc(F)ccc2C(=O)N1,halo,thiol
133045,Replace a hydroxyl in the molecule O=S(=O)(N1CCCCC1)N1CCC[C@H]1[C@@H]1CCCC[C@@H]1O by carboxyl.,O=S(=O)(N1CCCCC1)N1CCC[C@H]1[C@@H]1CCCC[C@@H]1O,hydroxyl,carboxyl
78316,Modify the molecule C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1CC1 by substituting a halo with nitrile.,C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1CC1,halo,nitrile
138495,Please replace a hydroxyl in the molecule O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1C[C@H]1c1cccc2ccccc12 with thiol.,O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1C[C@H]1c1cccc2ccccc12,hydroxyl,thiol
94469,Substitute a halo in the molecule Cc1cccc(NC(=O)NCC2(c3c(F)cccc3Cl)CCOCC2)c1 with nitro.,Cc1cccc(NC(=O)NCC2(c3c(F)cccc3Cl)CCOCC2)c1,halo,nitro
179265,Please substitute a nitrile in the molecule N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 by nitro.,N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1,nitrile,nitro
69043,Replace a nitrile in the molecule COc1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1F by nitro.,COc1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1F,nitrile,nitro
182534,Please replace a halo in the molecule O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1 with nitrile.,O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1,halo,nitrile
151285,Substitute a halo in the molecule Cc1ccc(-n2nnc(C(=O)NC3CCCC3)c2N)cc1F with nitro.,Cc1ccc(-n2nnc(C(=O)NC3CCCC3)c2N)cc1F,halo,nitro
171120,Replace a halo in the molecule CC(C)n1cnnc1CNC(=O)c1ccc(SC(F)(F)F)cc1 by nitrile.,CC(C)n1cnnc1CNC(=O)c1ccc(SC(F)(F)F)cc1,halo,nitrile
174720,Please replace a halo in the molecule COC(=O)Cc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1 with aldehyde.,COC(=O)Cc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1,halo,aldehyde
146815,Please substitute a halo in the molecule O=C(NN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S)c1ccccc1O by thiol.,O=C(NN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S)c1ccccc1O,halo,thiol
121595,Replace a halo in the molecule C[C@H]1C[C@H](NC(=O)c2cccc(F)c2)CN1c1ccccc1 by hydroxyl.,C[C@H]1C[C@H](NC(=O)c2cccc(F)c2)CN1c1ccccc1,halo,hydroxyl
232786,Modify the molecule O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 by substituting a hydroxyl with carboxyl.,O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1,hydroxyl,carboxyl
60938,Please substitute a halo in the molecule O=c1[nH]cnc2cc(NCCOc3ccc(Cl)cc3)c([N+](=O)[O-])cc12 by nitro.,O=c1[nH]cnc2cc(NCCOc3ccc(Cl)cc3)c([N+](=O)[O-])cc12,halo,nitro
63031,Please substitute a halo in the molecule CC(C)(CNC(=O)CCC(F)(F)F)c1ccccc1F by carboxyl.,CC(C)(CNC(=O)CCC(F)(F)F)c1ccccc1F,halo,carboxyl
73834,Please replace a halo in the molecule O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1 with nitro.,O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1,halo,nitro
38595,Modify the molecule OCc1cc(F)c(OC2CCCC2)c(F)c1 by substituting a halo with hydroxyl.,OCc1cc(F)c(OC2CCCC2)c(F)c1,halo,hydroxyl
97532,Please replace a halo in the molecule CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] with carboxyl.,CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-],halo,carboxyl
210939,Replace a halo in the molecule Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 by thiol.,Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1,halo,thiol
210576,Replace a halo in the molecule Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 by nitrile.,Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1,halo,nitrile
117677,Replace a halo in the molecule CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 by carboxyl.,CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1,halo,carboxyl
242748,Please replace a halo in the molecule CSc1nc(Cl)cc(N(C)C[C@@H]2CCCC[NH2+]2)n1 with hydroxyl.,CSc1nc(Cl)cc(N(C)C[C@@H]2CCCC[NH2+]2)n1,halo,hydroxyl
161118,Substitute a halo in the molecule Cc1cc(F)ccc1[C@H](O)c1ncc[nH]1 with carboxyl.,Cc1cc(F)ccc1[C@H](O)c1ncc[nH]1,halo,carboxyl
107972,Please substitute a halo in the molecule C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 by nitrile.,C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1,halo,nitrile
232436,Please substitute a nitrile in the molecule N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1 by thiol.,N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1,nitrile,thiol
144805,Modify the molecule Cc1ccc(SCCC(=O)Nc2nc3c(F)cccc3s2)cc1 by replacing a halo by aldehyde.,Cc1ccc(SCCC(=O)Nc2nc3c(F)cccc3s2)cc1,halo,aldehyde
201315,Please substitute a hydroxyl in the molecule COc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1OC(C)C by nitrile.,COc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1OC(C)C,hydroxyl,nitrile
137109,Modify the molecule N#C/C(=C\C1=c2ccccc2=[NH+]C1)C(=O)N[C@H]1CCS(=O)(=O)C1 by replacing a nitrile by thiol.,N#C/C(=C\C1=c2ccccc2=[NH+]C1)C(=O)N[C@H]1CCS(=O)(=O)C1,nitrile,thiol
176508,Replace a halo in the molecule O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(N2CCCC2=O)ccc1Cl by nitro.,O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(N2CCCC2=O)ccc1Cl,halo,nitro
100429,Substitute a halo in the molecule Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc12 with nitro.,Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc12,halo,nitro
22753,Modify the molecule COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 by substituting a hydroxyl with thiol.,COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1,hydroxyl,thiol
112788,Please substitute a halo in the molecule COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 by hydroxyl.,COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1,halo,hydroxyl
28289,Please substitute a halo in the molecule CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 by carboxyl.,CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1,halo,carboxyl
173781,Substitute a halo in the molecule COCC1CCN([C@H](C[NH3+])c2ccc(Br)c(C)c2)CC1 with nitrile.,COCC1CCN([C@H](C[NH3+])c2ccc(Br)c(C)c2)CC1,halo,nitrile
65454,Modify the molecule Cc1cc(F)c([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1F by substituting a halo with nitro.,Cc1cc(F)c([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1F,halo,nitro
14544,Substitute a halo in the molecule N#C[C@H]1C(=N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2CSCC=C12 with carboxyl.,N#C[C@H]1C(=N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2CSCC=C12,halo,carboxyl
204570,Please replace a nitrile in the molecule CCc1nn(C)c(OC)c1CNc1c(C#N)c(=O)n(C)c(=O)n1C with nitro.,CCc1nn(C)c(OC)c1CNc1c(C#N)c(=O)n(C)c(=O)n1C,nitrile,nitro
34578,Substitute a halo in the molecule C[C@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)C1 with aldehyde.,C[C@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)C1,halo,aldehyde
189048,Substitute a halo in the molecule Cc1nn(C)c2c1nc(N)n2-c1ccc(Br)cc1Cl with thiol.,Cc1nn(C)c2c1nc(N)n2-c1ccc(Br)cc1Cl,halo,thiol
89635,Please substitute a hydroxyl in the molecule N/C(=N/O)[C@H]1CN(CCN2CCOCC2)CCO1 by halo.,N/C(=N/O)[C@H]1CN(CCN2CCOCC2)CCO1,hydroxyl,halo
38961,Replace a halo in the molecule Cc1noc([C@@H](C)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 by nitrile.,Cc1noc([C@@H](C)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1,halo,nitrile
114929,Modify the molecule O=C(NC1C[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCCO1)c1cc(F)ccc1F by substituting a halo with nitrile.,O=C(NC1C[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCCO1)c1cc(F)ccc1F,halo,nitrile
113692,Please substitute a halo in the molecule C[C@H](OC(=O)C1CCC(C(N)=O)CC1)c1nc2cc(Cl)ccc2n1C by thiol.,C[C@H](OC(=O)C1CCC(C(N)=O)CC1)c1nc2cc(Cl)ccc2n1C,halo,thiol
146038,Please replace a hydroxyl in the molecule O=C(Nc1nc[nH]n1)c1ccccc1O with nitrile.,O=C(Nc1nc[nH]n1)c1ccccc1O,hydroxyl,nitrile
16711,Replace a hydroxyl in the molecule CC(C)(C)c1cc[n+](C2=C([O-])C(=[OH+])N(Nc3ccccc3)C2=O)cc1 by halo.,CC(C)(C)c1cc[n+](C2=C([O-])C(=[OH+])N(Nc3ccccc3)C2=O)cc1,hydroxyl,halo
218871,Modify the molecule O=C([O-])c1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)nc1 by substituting a nitro with carboxyl.,O=C([O-])c1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)nc1,nitro,carboxyl
110431,Please replace a halo in the molecule C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccccc2)C1=O with nitrile.,C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccccc2)C1=O,halo,nitrile
59824,Replace a halo in the molecule O=C(NCc1ccsc1)N[C@H]1C[C@H]1c1cccc(Cl)c1 by thiol.,O=C(NCc1ccsc1)N[C@H]1C[C@H]1c1cccc(Cl)c1,halo,thiol
64241,Please replace a halo in the molecule Cc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 with hydroxyl.,Cc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1,halo,hydroxyl
82790,Please replace a halo in the molecule CC1(C)CCC[NH+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 with hydroxyl.,CC1(C)CCC[NH+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1,halo,hydroxyl
50196,Replace a hydroxyl in the molecule COc1ccc(C[C@@H](C)CNC(=O)c2ccc(O)c(Cl)c2)cc1 by nitro.,COc1ccc(C[C@@H](C)CNC(=O)c2ccc(O)c(Cl)c2)cc1,hydroxyl,nitro
218847,Substitute a halo in the molecule COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(Cl)c1 with nitrile.,COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(Cl)c1,halo,nitrile
15106,Modify the molecule COc1cc(C)cc(O)c1C=O by replacing a aldehyde by hydroxyl.,COc1cc(C)cc(O)c1C=O,aldehyde,hydroxyl
10597,Substitute a halo in the molecule COc1ccccc1N1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 with hydroxyl.,COc1ccccc1N1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1,halo,hydroxyl
226805,Please substitute a halo in the molecule Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1 by aldehyde.,Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1,halo,aldehyde
140871,Substitute a nitrile in the molecule CS(=O)(=O)Cc1nc(CN2CCO[C@@H](C#N)C2)cs1 with thiol.,CS(=O)(=O)Cc1nc(CN2CCO[C@@H](C#N)C2)cs1,nitrile,thiol
159046,Please replace a hydroxyl in the molecule CC[C@@H](CO)NC(=O)NCc1ccc(-n2cncn2)cc1 with nitrile.,CC[C@@H](CO)NC(=O)NCc1ccc(-n2cncn2)cc1,hydroxyl,nitrile
19599,Please replace a halo in the molecule O=C(c1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 with nitrile.,O=C(c1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1,halo,nitrile
207354,Please substitute a halo in the molecule CCc1nc(CS(=O)(=O)CC(F)(F)F)cs1 by nitrile.,CCc1nc(CS(=O)(=O)CC(F)(F)F)cs1,halo,nitrile
123819,Replace a halo in the molecule COc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cn1 by carboxyl.,COc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cn1,halo,carboxyl
160155,Modify the molecule Cc1cn(-c2ccccc2)nc1[C@@H](O)n1nnc2ccccc21 by replacing a hydroxyl by halo.,Cc1cn(-c2ccccc2)nc1[C@@H](O)n1nnc2ccccc21,hydroxyl,halo
54869,Please replace a nitrile in the molecule C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OCCCC#N)c1 with thiol.,C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OCCCC#N)c1,nitrile,thiol
179639,Substitute a halo in the molecule Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 with nitrile.,Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1,halo,nitrile
178897,Please replace a nitro in the molecule C[C@H]1CN(c2cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)ncn2)C[C@@H](C)O1 with thiol.,C[C@H]1CN(c2cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)ncn2)C[C@@H](C)O1,nitro,thiol
142286,Please substitute a halo in the molecule C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C[NH+]1CCCC1 by nitro.,C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C[NH+]1CCCC1,halo,nitro
3299,Please replace a halo in the molecule COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)NC(C)C)c1C with thiol.,COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)NC(C)C)c1C,halo,thiol
244271,Modify the molecule O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 by replacing a nitro by hydroxyl.,O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1,nitro,hydroxyl
64774,Replace a halo in the molecule CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 by carboxyl.,CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1,halo,carboxyl
234849,Substitute a halo in the molecule Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)c1ccc(F)cc1 with nitro.,Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)c1ccc(F)cc1,halo,nitro
209407,Modify the molecule Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O by replacing a nitrile by hydroxyl.,Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O,nitrile,hydroxyl
247552,Replace a hydroxyl in the molecule N#C/C(C(=O)N/N=C/c1cccc(O)c1)=C1\CCc2ccccc21 by nitrile.,N#C/C(C(=O)N/N=C/c1cccc(O)c1)=C1\CCc2ccccc21,hydroxyl,nitrile
184906,Please substitute a halo in the molecule Cc1nc2cc(NC(=O)CCNC(=O)c3ccccc3Cl)ccc2o1 by nitro.,Cc1nc2cc(NC(=O)CCNC(=O)c3ccccc3Cl)ccc2o1,halo,nitro
162611,Substitute a halo in the molecule CCN1c2cc(Cl)c(Cl)cc2NC(=O)C[C@H]1C with nitrile.,CCN1c2cc(Cl)c(Cl)cc2NC(=O)C[C@H]1C,halo,nitrile
171049,Please replace a halo in the molecule COC(=O)c1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1 with aldehyde.,COC(=O)c1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1,halo,aldehyde
141028,Modify the molecule COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC by substituting a halo with nitro.,COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC,halo,nitro
154716,Please replace a nitrile in the molecule CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 with hydroxyl.,CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1,nitrile,hydroxyl
28577,Please substitute a hydroxyl in the molecule C[C@@H](O)CNC1=NC(=O)[C@@H](C)N=[NH+]1 by carboxyl.,C[C@@H](O)CNC1=NC(=O)[C@@H](C)N=[NH+]1,hydroxyl,carboxyl
45941,Modify the molecule C[C@H](CNC(=O)NCCc1cc(F)ccc1F)N1CCOCC1 by replacing a halo by aldehyde.,C[C@H](CNC(=O)NCCc1cc(F)ccc1F)N1CCOCC1,halo,aldehyde
56405,Please replace a nitrile in the molecule N#Cc1cc(Cl)nc(NNC(=O)c2ccc(F)c(F)c2)c1 with halo.,N#Cc1cc(Cl)nc(NNC(=O)c2ccc(F)c(F)c2)c1,nitrile,halo
113263,Please replace a halo in the molecule Cc1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1C(N)=O with aldehyde.,Cc1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1C(N)=O,halo,aldehyde
4389,Replace a hydroxyl in the molecule Cc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccccn2)n1 by nitro.,Cc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccccn2)n1,hydroxyl,nitro
11254,Substitute a halo in the molecule Cc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 with thiol.,Cc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1,halo,thiol
118741,Modify the molecule CCc1c(NC(=O)N2CC[C@@H](C)[C@H](O)C2)noc1-c1ccc(Cl)s1 by substituting a halo with nitrile.,CCc1c(NC(=O)N2CC[C@@H](C)[C@H](O)C2)noc1-c1ccc(Cl)s1,halo,nitrile
148273,Please replace a halo in the molecule CCCNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 with aldehyde.,CCCNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1,halo,aldehyde
213363,Replace a halo in the molecule COCc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 by nitro.,COCc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1,halo,nitro
19721,Modify the molecule C[NH+](Cc1ccccc1)C[C@H](O)Cn1cnc2cc(F)c(F)cc21 by replacing a halo by aldehyde.,C[NH+](Cc1ccccc1)C[C@H](O)Cn1cnc2cc(F)c(F)cc21,halo,aldehyde
145350,Please substitute a halo in the molecule COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccc(Cl)cc2)cc1 by carboxyl.,COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccc(Cl)cc2)cc1,halo,carboxyl
117448,Substitute a halo in the molecule C[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccc(F)cc2)O1 with nitro.,C[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccc(F)cc2)O1,halo,nitro
212022,Please substitute a halo in the molecule C=CCOc1cc(Br)c(C(=O)NN)cc1OCC by thiol.,C=CCOc1cc(Br)c(C(=O)NN)cc1OCC,halo,thiol
112849,Substitute a nitrile in the molecule C[C@@H]1CCc2c(sc3nc(CCN(C)CCC#N)nc(N)c23)C1 with halo.,C[C@@H]1CCc2c(sc3nc(CCN(C)CCC#N)nc(N)c23)C1,nitrile,halo
224668,Please replace a halo in the molecule O=S(=O)(CC[C@@H]1CCCO1)N1CCc2cc(F)ccc2C1 with nitro.,O=S(=O)(CC[C@@H]1CCCO1)N1CCc2cc(F)ccc2C1,halo,nitro
145097,Please substitute a halo in the molecule Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1C by thiol.,Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1C,halo,thiol
99318,Modify the molecule Cc1cc(C[NH+]2C[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1Br by substituting a halo with aldehyde.,Cc1cc(C[NH+]2C[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1Br,halo,aldehyde
37736,Modify the molecule COCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 by substituting a halo with nitrile.,COCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1,halo,nitrile
125724,Replace a halo in the molecule Cc1cccc2[nH]c([C@](C)(N)C(F)(F)F)nc12 by hydroxyl.,Cc1cccc2[nH]c([C@](C)(N)C(F)(F)F)nc12,halo,hydroxyl
126502,Modify the molecule Oc1ccc(Cl)cc1CNc1ccccc1 by substituting a hydroxyl with carboxyl.,Oc1ccc(Cl)cc1CNc1ccccc1,hydroxyl,carboxyl
182226,Please substitute a halo in the molecule COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 by thiol.,COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1,halo,thiol
186749,Substitute a halo in the molecule CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(C)c(Br)s1 with hydroxyl.,CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(C)c(Br)s1,halo,hydroxyl
228409,Modify the molecule CO[C@@H](C(=O)N[C@H](CO)C(C)C)c1ccccc1 by substituting a hydroxyl with nitrile.,CO[C@@H](C(=O)N[C@H](CO)C(C)C)c1ccccc1,hydroxyl,nitrile
136121,Please replace a halo in the molecule COc1ccc2nc(N3CC(C(=O)Nc4cccc(C(F)(F)F)c4)C3)sc2c1 with aldehyde.,COc1ccc2nc(N3CC(C(=O)Nc4cccc(C(F)(F)F)c4)C3)sc2c1,halo,aldehyde
125641,Modify the molecule CCCCCCn1ccc([C@H](O)C(C)C)c1 by replacing a hydroxyl by thiol.,CCCCCCn1ccc([C@H](O)C(C)C)c1,hydroxyl,thiol
200188,Substitute a nitrile in the molecule CC[C@@H](C)C[C@@]1(C#N)CCC(C)(C)C1=O with nitro.,CC[C@@H](C)C[C@@]1(C#N)CCC(C)(C)C1=O,nitrile,nitro
67112,Modify the molecule CC(=O)[C@@H](C)Oc1ccc(Cl)c2ccccc12 by replacing a halo by carboxyl.,CC(=O)[C@@H](C)Oc1ccc(Cl)c2ccccc12,halo,carboxyl
123962,Please substitute a halo in the molecule CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(F)cc1F by hydroxyl.,CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(F)cc1F,halo,hydroxyl
107108,Please replace a nitrile in the molecule N#C[C@@H](NC(=O)c1ccoc1)C1CCCCC1 with halo.,N#C[C@@H](NC(=O)c1ccoc1)C1CCCCC1,nitrile,halo
16855,Substitute a halo in the molecule Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c(C(N)=O)cc1F with aldehyde.,Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c(C(N)=O)cc1F,halo,aldehyde
171042,Modify the molecule C[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C[C@H]1O by replacing a halo by aldehyde.,C[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C[C@H]1O,halo,aldehyde
141357,Substitute a halo in the molecule Cc1ccc(NC(=O)CS[C@H]2[NH+]=c3cc[nH+]cc3=[NH+]2)cc1F with nitrile.,Cc1ccc(NC(=O)CS[C@H]2[NH+]=c3cc[nH+]cc3=[NH+]2)cc1F,halo,nitrile
98928,Replace a halo in the molecule O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1 by nitrile.,O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1,halo,nitrile
165657,Please replace a halo in the molecule CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)no1 with aldehyde.,CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)no1,halo,aldehyde
203499,Substitute a halo in the molecule O=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 with hydroxyl.,O=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,halo,hydroxyl
160335,Substitute a halo in the molecule Cc1cc(NCc2cn(C)nc2-c2cccnc2)ccc1F with thiol.,Cc1cc(NCc2cn(C)nc2-c2cccnc2)ccc1F,halo,thiol
124368,Please replace a halo in the molecule C[C@@H](CNC(=O)C1CC[NH+](C)CC1)Oc1ccc(Cl)cc1 with nitrile.,C[C@@H](CNC(=O)C1CC[NH+](C)CC1)Oc1ccc(Cl)cc1,halo,nitrile
11517,Please replace a halo in the molecule CC[NH+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 with hydroxyl.,CC[NH+]1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1,halo,hydroxyl
87314,Modify the molecule CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 by substituting a halo with thiol.,CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1,halo,thiol
81819,Modify the molecule CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1 by substituting a halo with thiol.,CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1,halo,thiol
47711,Please replace a halo in the molecule Cc1noc(CNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)n1 with nitro.,Cc1noc(CNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)n1,halo,nitro
88113,Please replace a hydroxyl in the molecule C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O with nitro.,C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O,hydroxyl,nitro
958,Please replace a hydroxyl in the molecule Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC2 with nitro.,Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC2,hydroxyl,nitro
4051,Please substitute a nitrile in the molecule CC[C@H]1CC[C@](O)([C@]2(C#N)CCc3ccccc32)C1 by nitro.,CC[C@H]1CC[C@](O)([C@]2(C#N)CCc3ccccc32)C1,nitrile,nitro
20066,Replace a nitrile in the molecule CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 by aldehyde.,CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2,nitrile,aldehyde
604,Modify the molecule Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccs1 by replacing a halo by thiol.,Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccs1,halo,thiol
181412,Substitute a halo in the molecule CN(C)C(=O)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 with nitro.,CN(C)C(=O)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1,halo,nitro
242015,Modify the molecule CC(=O)c1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 by replacing a nitrile by aldehyde.,CC(=O)c1csc(NC(=O)Cc2cccc(OCC#N)c2)n1,nitrile,aldehyde
96224,Replace a hydroxyl in the molecule O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(nn(-c3ccccc3)c1O)N2 by carboxyl.,O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(nn(-c3ccccc3)c1O)N2,hydroxyl,carboxyl
47055,Substitute a hydroxyl in the molecule CCC[C@H]1CN(Cc2cccc(O)c2)CCO1 with nitro.,CCC[C@H]1CN(Cc2cccc(O)c2)CCO1,hydroxyl,nitro
80346,Substitute a nitrile in the molecule Cc1cc(N(C)c2cccc(C#N)c2)[nH+]cc1N with nitro.,Cc1cc(N(C)c2cccc(C#N)c2)[nH+]cc1N,nitrile,nitro
142548,Replace a halo in the molecule Br[C@H](Cc1nc2ccccc2o1)[C@H]1CCOC1 by aldehyde.,Br[C@H](Cc1nc2ccccc2o1)[C@H]1CCOC1,halo,aldehyde
83973,Substitute a nitrile in the molecule Cc1nonc1Cn1ccnc1C#N with carboxyl.,Cc1nonc1Cn1ccnc1C#N,nitrile,carboxyl
225286,Please replace a halo in the molecule Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 with carboxyl.,Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1,halo,carboxyl
3791,Replace a hydroxyl in the molecule CC[C@@H]1CC[C@@](C[NH3+])([C@H](O)c2ccccc2)C1 by nitrile.,CC[C@@H]1CC[C@@](C[NH3+])([C@H](O)c2ccccc2)C1,hydroxyl,nitrile
129944,Modify the molecule C=CCCCSc1ccc(N)c(F)c1 by replacing a halo by aldehyde.,C=CCCCSc1ccc(N)c(F)c1,halo,aldehyde
129152,Modify the molecule CCn1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2[O-])c2ccccc21 by replacing a halo by hydroxyl.,CCn1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2[O-])c2ccccc21,halo,hydroxyl
248995,Replace a halo in the molecule CCN(Cc1ccoc1)C(=O)c1ncccc1C(F)(F)F by nitrile.,CCN(Cc1ccoc1)C(=O)c1ncccc1C(F)(F)F,halo,nitrile
156632,Substitute a halo in the molecule Cc1cc(C)c(CNC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)c(=O)[nH]1 with carboxyl.,Cc1cc(C)c(CNC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)c(=O)[nH]1,halo,carboxyl
119359,Substitute a halo in the molecule C[C@@H](NC1COC1)c1c(F)cccc1F with nitrile.,C[C@@H](NC1COC1)c1c(F)cccc1F,halo,nitrile
3200,Substitute a halo in the molecule C[C@H](Oc1ccccc1N)C(=O)c1ccc(Cl)cc1 with nitro.,C[C@H](Oc1ccccc1N)C(=O)c1ccc(Cl)cc1,halo,nitro
155132,Replace a nitro in the molecule COc1cccc(/C=c2/s/c(=C\[N+](=O)[O-])n(C)c2=O)c1 by thiol.,COc1cccc(/C=c2/s/c(=C\[N+](=O)[O-])n(C)c2=O)c1,nitro,thiol
100368,Substitute a halo in the molecule Cn1cc(N2CCC[C@H](SCc3nccn3C(F)F)C2=O)cn1 with thiol.,Cn1cc(N2CCC[C@H](SCc3nccn3C(F)F)C2=O)cn1,halo,thiol
162274,Modify the molecule C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCOc2ccccc21 by substituting a halo with aldehyde.,C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCOc2ccccc21,halo,aldehyde
148127,Replace a nitrile in the molecule C[C@H]1CN(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)C[C@@H](C)O1 by nitro.,C[C@H]1CN(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)C[C@@H](C)O1,nitrile,nitro
75566,Modify the molecule COc1cc(F)cc(CNC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1 by replacing a halo by hydroxyl.,COc1cc(F)cc(CNC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1,halo,hydroxyl
118860,Modify the molecule C[C@H](c1ccccn1)N(C)C(=O)Nc1cccnc1Cl by substituting a halo with aldehyde.,C[C@H](c1ccccn1)N(C)C(=O)Nc1cccnc1Cl,halo,aldehyde
106747,Replace a nitrile in the molecule C/C(=C\C(=O)N(CC#N)C1CCCC1)C(C)(C)C by carboxyl.,C/C(=C\C(=O)N(CC#N)C1CCCC1)C(C)(C)C,nitrile,carboxyl
148335,Modify the molecule Cc1cc(F)ccc1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C by substituting a halo with nitro.,Cc1cc(F)ccc1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C,halo,nitro
53907,Substitute a hydroxyl in the molecule CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 with nitro.,CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1,hydroxyl,nitro
23807,Modify the molecule CC(C)(CNC(=O)NC1(c2cccc(Cl)c2)CC1)NS(C)(=O)=O by substituting a halo with nitrile.,CC(C)(CNC(=O)NC1(c2cccc(Cl)c2)CC1)NS(C)(=O)=O,halo,nitrile
150704,Replace a halo in the molecule O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NC1CCCCC1 by nitrile.,O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NC1CCCCC1,halo,nitrile
226541,Substitute a halo in the molecule Cl[C@@H](Cc1ccc2ccccc2n1)c1ccoc1 with nitro.,Cl[C@@H](Cc1ccc2ccccc2n1)c1ccoc1,halo,nitro
51405,Please replace a halo in the molecule Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN)c1 with nitrile.,Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN)c1,halo,nitrile
106517,Please replace a halo in the molecule CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(F)cc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 with nitro.,CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(F)cc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1,halo,nitro
5919,Please substitute a halo in the molecule CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(Br)c[nH]2)C1=O by thiol.,CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(Br)c[nH]2)C1=O,halo,thiol
132788,Replace a halo in the molecule C/C(=C/C(=O)NC(C)(C)C)NNC(=O)COc1cc(C)c(Cl)c(C)c1 by aldehyde.,C/C(=C/C(=O)NC(C)(C)C)NNC(=O)COc1cc(C)c(Cl)c(C)c1,halo,aldehyde
65029,Modify the molecule Cc1cccc(N2CC[NH+](CCCNc3cnccc3C#N)CC2)c1 by replacing a nitrile by aldehyde.,Cc1cccc(N2CC[NH+](CCCNc3cnccc3C#N)CC2)c1,nitrile,aldehyde
223474,Substitute a halo in the molecule COCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C with nitrile.,COCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C,halo,nitrile
159885,Modify the molecule NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc(Br)cc1 by replacing a halo by thiol.,NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc(Br)cc1,halo,thiol
6197,Please replace a halo in the molecule C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCc3ccccc3Br)CC2)C1 with nitro.,C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCc3ccccc3Br)CC2)C1,halo,nitro
170717,Modify the molecule COc1cc(-c2noc(Cc3ccc(Cl)nc3)n2)ccn1 by substituting a halo with thiol.,COc1cc(-c2noc(Cc3ccc(Cl)nc3)n2)ccn1,halo,thiol
196983,Modify the molecule CC(C)(CNc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C by replacing a nitro by thiol.,CC(C)(CNc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C,nitro,thiol
112410,Please substitute a halo in the molecule C#CC[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)C1CC1 by thiol.,C#CC[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)C1CC1,halo,thiol
11393,Please substitute a halo in the molecule CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 by thiol.,CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1,halo,thiol
45413,Please substitute a halo in the molecule CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 by nitrile.,CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1,halo,nitrile
223765,Modify the molecule CNC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH+](C)C1)c1ccc(F)c(F)c1 by substituting a halo with nitrile.,CNC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH+](C)C1)c1ccc(F)c(F)c1,halo,nitrile
114178,Please replace a hydroxyl in the molecule C[C@@H]1CCC[C@](C#N)([C@]2(O)CCCCC2(C)C)C1 with aldehyde.,C[C@@H]1CCC[C@](C#N)([C@]2(O)CCCCC2(C)C)C1,hydroxyl,aldehyde
115526,Replace a halo in the molecule Cc1c(NC(=O)C2=Cc3cc(F)ccc3OC2)cnn1-c1ccccc1 by aldehyde.,Cc1c(NC(=O)C2=Cc3cc(F)ccc3OC2)cnn1-c1ccccc1,halo,aldehyde
16303,Substitute a halo in the molecule CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 with thiol.,CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1,halo,thiol
238543,Substitute a halo in the molecule CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1Cc2ccccc2O1 with aldehyde.,CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1Cc2ccccc2O1,halo,aldehyde
110044,Please substitute a halo in the molecule Cc1ccccc1COC(=O)c1c(Cl)nc2sccn12 by aldehyde.,Cc1ccccc1COC(=O)c1c(Cl)nc2sccn12,halo,aldehyde
96498,Replace a halo in the molecule CNc1nc(-c2cnn(C)c2C)nc(COC)c1Br by nitrile.,CNc1nc(-c2cnn(C)c2C)nc(COC)c1Br,halo,nitrile
69676,Modify the molecule CC[C@@H](O)c1ccn(Cc2cccc3cccnc23)c1 by replacing a hydroxyl by thiol.,CC[C@@H](O)c1ccn(Cc2cccc3cccnc23)c1,hydroxyl,thiol
95790,Modify the molecule O=C([O-])c1cc(-c2ccccn2)nc2ccc(F)cc12 by substituting a halo with aldehyde.,O=C([O-])c1cc(-c2ccccn2)nc2ccc(F)cc12,halo,aldehyde
65118,Modify the molecule [NH3+]C[C@H]1CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 by replacing a nitro by hydroxyl.,[NH3+]C[C@H]1CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1,nitro,hydroxyl
36672,Modify the molecule CCn1nc(C)c(NC(=O)N(C)Cc2ccccc2F)c1C by substituting a halo with aldehyde.,CCn1nc(C)c(NC(=O)N(C)Cc2ccccc2F)c1C,halo,aldehyde
4474,Please substitute a halo in the molecule C[C@H]1C[C@@H](NCCc2nc3cc(F)ccc3n2C)C[NH+]1C by nitro.,C[C@H]1C[C@@H](NCCc2nc3cc(F)ccc3n2C)C[NH+]1C,halo,nitro
71404,Substitute a halo in the molecule Cn1nccc1CNC(=O)CCl with carboxyl.,Cn1nccc1CNC(=O)CCl,halo,carboxyl
11400,Please replace a nitro in the molecule COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12 with aldehyde.,COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12,nitro,aldehyde
70051,Please substitute a nitrile in the molecule CC1(C[NH2+]C/C=C/c2ccc(C#N)cc2)COC1 by nitro.,CC1(C[NH2+]C/C=C/c2ccc(C#N)cc2)COC1,nitrile,nitro
89177,Please substitute a nitro in the molecule Cc1cc(C(=O)NCc2cc(-c3ccncc3)n(C)n2)ccc1[N+](=O)[O-] by aldehyde.,Cc1cc(C(=O)NCc2cc(-c3ccncc3)n(C)n2)ccc1[N+](=O)[O-],nitro,aldehyde
209475,Please replace a halo in the molecule CCC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 with nitrile.,CCC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1,halo,nitrile
186574,Please substitute a halo in the molecule Cc1cc(NC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)ccc1Br by nitrile.,Cc1cc(NC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)ccc1Br,halo,nitrile
201886,Substitute a hydroxyl in the molecule COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](CO)C1)[NH+]1CCCC1 with aldehyde.,COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](CO)C1)[NH+]1CCCC1,hydroxyl,aldehyde
70271,Modify the molecule O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1 by replacing a halo by thiol.,O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1,halo,thiol
162815,Replace a halo in the molecule COC(=O)[C@H](c1ccc(F)cc1)N(C)CC[C@H]1CCCC[NH+]1C by hydroxyl.,COC(=O)[C@H](c1ccc(F)cc1)N(C)CC[C@H]1CCCC[NH+]1C,halo,hydroxyl
232579,Replace a nitro in the molecule CCNc1ccc([N+](=O)[O-])c(-c2ccc(OCC)cc2)n1 by nitrile.,CCNc1ccc([N+](=O)[O-])c(-c2ccc(OCC)cc2)n1,nitro,nitrile
210433,Modify the molecule O=C(NCCOc1cccc2ccccc12)N(CCO)C1CC1 by replacing a hydroxyl by thiol.,O=C(NCCOc1cccc2ccccc12)N(CCO)C1CC1,hydroxyl,thiol
28895,Please replace a halo in the molecule COc1ccc(C(=O)N/N=C(/C)CC(N)=O)cc1I with nitrile.,COc1ccc(C(=O)N/N=C(/C)CC(N)=O)cc1I,halo,nitrile
111586,Replace a halo in the molecule COc1ccc([C@@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1 by thiol.,COc1ccc([C@@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1,halo,thiol
220227,Modify the molecule O=C(c1cnccn1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 by replacing a hydroxyl by nitrile.,O=C(c1cnccn1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1,hydroxyl,nitrile
118963,Substitute a halo in the molecule O=C(Nc1ccccc1)c1nc(-n2cnnc2)ccc1Br with carboxyl.,O=C(Nc1ccccc1)c1nc(-n2cnnc2)ccc1Br,halo,carboxyl
2372,Please replace a halo in the molecule CC1(C)CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[S@@]1=O with thiol.,CC1(C)CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[S@@]1=O,halo,thiol
24192,Please replace a halo in the molecule O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 with aldehyde.,O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2,halo,aldehyde
54851,Modify the molecule C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1Cl)c1ccccc1 by substituting a halo with carboxyl.,C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1Cl)c1ccccc1,halo,carboxyl
203238,Modify the molecule CC(C)Cn1ncc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C(F)F by replacing a halo by nitro.,CC(C)Cn1ncc(C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C(F)F,halo,nitro
76572,Please replace a halo in the molecule C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1 with hydroxyl.,C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1,halo,hydroxyl
207772,Please replace a nitrile in the molecule COCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N with hydroxyl.,COCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N,nitrile,hydroxyl
125962,Substitute a nitrile in the molecule C[C@@H](C#N)CNC(=O)C1C(C)(C)C1(C)C with thiol.,C[C@@H](C#N)CNC(=O)C1C(C)(C)C1(C)C,nitrile,thiol
245296,Please substitute a nitro in the molecule CN1C(=O)C(=Cc2ccc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O by aldehyde.,CN1C(=O)C(=Cc2ccc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O,nitro,aldehyde
210221,Replace a halo in the molecule COC1CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 by aldehyde.,COC1CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1,halo,aldehyde
48639,Modify the molecule CCN(C)C(=O)C[NH+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 by substituting a halo with carboxyl.,CCN(C)C(=O)C[NH+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1,halo,carboxyl
51736,Substitute a halo in the molecule O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)NCc1ccc2c(c1)OCO2 with hydroxyl.,O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)NCc1ccc2c(c1)OCO2,halo,hydroxyl
218467,Modify the molecule CC1(C)CCCN(C(=O)c2ccc(C#N)cn2)c2ccccc21 by replacing a nitrile by halo.,CC1(C)CCCN(C(=O)c2ccc(C#N)cn2)c2ccccc21,nitrile,halo
39587,Modify the molecule COCCn1c(C(=O)N[C@H](CO)c2ccccc2F)cc2ccccc21 by replacing a hydroxyl by nitro.,COCCn1c(C(=O)N[C@H](CO)c2ccccc2F)cc2ccccc21,hydroxyl,nitro
230392,Modify the molecule O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1CCN(C(=O)c2cccs2)CC1 by replacing a halo by nitro.,O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1CCN(C(=O)c2cccs2)CC1,halo,nitro
5942,Substitute a halo in the molecule C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1 with nitrile.,C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1,halo,nitrile
237475,Modify the molecule COc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 by substituting a halo with carboxyl.,COc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1,halo,carboxyl
239269,Modify the molecule O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)o2)o1 by substituting a halo with thiol.,O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)o2)o1,halo,thiol
169167,Replace a nitro in the molecule CC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC by thiol.,CC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC,nitro,thiol
104856,Please replace a halo in the molecule COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1OC with carboxyl.,COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1OC,halo,carboxyl
243503,Modify the molecule Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 by replacing a nitro by carboxyl.,Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1,nitro,carboxyl
77971,Substitute a nitrile in the molecule CC[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 with carboxyl.,CC[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1,nitrile,carboxyl
7273,Replace a halo in the molecule C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1)n1cncn1 by thiol.,C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1)n1cncn1,halo,thiol
208865,Please replace a halo in the molecule Cc1cccc(NC(=O)C[NH+](C)Cc2cc(Br)ccc2O)n1 with carboxyl.,Cc1cccc(NC(=O)C[NH+](C)Cc2cc(Br)ccc2O)n1,halo,carboxyl
19763,Please substitute a halo in the molecule O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1 by nitro.,O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1,halo,nitro
85142,Please replace a nitro in the molecule O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1OC1CCCC1 with hydroxyl.,O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1OC1CCCC1,nitro,hydroxyl
70653,Modify the molecule C=CCC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1CC1 by replacing a hydroxyl by thiol.,C=CCC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1CC1,hydroxyl,thiol
207654,Please substitute a nitro in the molecule O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 by carboxyl.,O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1,nitro,carboxyl
71747,Substitute a halo in the molecule COc1ccccc1O[C@H](C)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 with aldehyde.,COc1ccccc1O[C@H](C)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12,halo,aldehyde
225124,Replace a halo in the molecule COc1ccc(Cl)cc1CNC(=O)[C@@H](C)OCc1ccccc1 by carboxyl.,COc1ccc(Cl)cc1CNC(=O)[C@@H](C)OCc1ccccc1,halo,carboxyl
79733,Please replace a nitrile in the molecule N#Cc1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 with carboxyl.,N#Cc1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2,nitrile,carboxyl
237540,Modify the molecule NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12 by substituting a hydroxyl with nitro.,NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12,hydroxyl,nitro
118373,Modify the molecule CC[C@@H]1S/C(=N\N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O by substituting a halo with aldehyde.,CC[C@@H]1S/C(=N\N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O,halo,aldehyde
151206,Please substitute a halo in the molecule C[C@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 by carboxyl.,C[C@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1,halo,carboxyl
8154,Modify the molecule COc1cc(CN2CCC([NH+]3CCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1O by replacing a hydroxyl by carboxyl.,COc1cc(CN2CCC([NH+]3CCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1O,hydroxyl,carboxyl
135079,Please replace a hydroxyl in the molecule O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccncc2)C1 with thiol.,O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccncc2)C1,hydroxyl,thiol
102567,Substitute a halo in the molecule O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1C(F)(F)F with hydroxyl.,O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1C(F)(F)F,halo,hydroxyl
149217,Substitute a nitro in the molecule CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 with thiol.,CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1,nitro,thiol
217835,Replace a halo in the molecule Cc1cncc(NC(=O)NCc2ccccc2OCC(F)(F)F)c1 by aldehyde.,Cc1cncc(NC(=O)NCc2ccccc2OCC(F)(F)F)c1,halo,aldehyde
69295,Please substitute a halo in the molecule C[C@H]1CC[NH+](Cc2cccc(Br)c2)C[C@@H]1O by hydroxyl.,C[C@H]1CC[NH+](Cc2cccc(Br)c2)C[C@@H]1O,halo,hydroxyl
198251,Replace a halo in the molecule CN(c1nc(C(F)F)nc2ccccc12)C1CCS(=O)CC1 by thiol.,CN(c1nc(C(F)F)nc2ccccc12)C1CCS(=O)CC1,halo,thiol
193313,Replace a halo in the molecule C[NH+]1CCN(C(C)(C)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 by nitrile.,C[NH+]1CCN(C(C)(C)C(=O)NCc2cccc(C(F)(F)F)c2)CC1,halo,nitrile
7823,Please substitute a nitrile in the molecule Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C by carboxyl.,Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C,nitrile,carboxyl
33501,Substitute a halo in the molecule O=S1(=O)N=C(SCc2cccc(F)c2)Nc2ccccc21 with aldehyde.,O=S1(=O)N=C(SCc2cccc(F)c2)Nc2ccccc21,halo,aldehyde
40986,Substitute a nitrile in the molecule CN(C)S(=O)(=O)c1ccc(N2CCO[C@@H](C#N)C2)c(N)c1 with carboxyl.,CN(C)S(=O)(=O)c1ccc(N2CCO[C@@H](C#N)C2)c(N)c1,nitrile,carboxyl
132856,Modify the molecule O=C(NCCN1C(=O)CCC1=O)c1ncccc1C(F)(F)F by replacing a halo by aldehyde.,O=C(NCCN1C(=O)CCC1=O)c1ncccc1C(F)(F)F,halo,aldehyde
30782,Modify the molecule CCOc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] by replacing a nitro by nitrile.,CCOc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-],nitro,nitrile
32685,Modify the molecule Cc1cc(C)c2c(N)c(-c3cc(=O)oc4ccc(O)cc34)sc2n1 by replacing a hydroxyl by halo.,Cc1cc(C)c2c(N)c(-c3cc(=O)oc4ccc(O)cc34)sc2n1,hydroxyl,halo
216727,Modify the molecule O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CCCc2ccc(F)cc21 by substituting a halo with nitrile.,O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CCCc2ccc(F)cc21,halo,nitrile
209939,Modify the molecule CC(C)(O)C(=O)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12 by substituting a halo with nitrile.,CC(C)(O)C(=O)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12,halo,nitrile
86793,Please substitute a halo in the molecule COc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC by thiol.,COc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC,halo,thiol
241953,Substitute a halo in the molecule NNC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 with hydroxyl.,NNC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1,halo,hydroxyl
3843,Please replace a halo in the molecule O=C(Nc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1 with carboxyl.,O=C(Nc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1,halo,carboxyl
220838,Replace a nitrile in the molecule Cc1c(NC(=O)c2ccc(C#N)cn2)cccc1N1CCOC1=O by aldehyde.,Cc1c(NC(=O)c2ccc(C#N)cn2)cccc1N1CCOC1=O,nitrile,aldehyde