mc_labels listlengths 18 18 | input stringlengths 5 167 | n_tokens int64 1 114 |
|---|---|---|
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[
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13,
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[
222.027671292,
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[
400.24744088399996,
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[
183.083018416,
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12,
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1,
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[
332.19000626,
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24,
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[
322.0722167,
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21,
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0,
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[
358.97393791200005,
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0,
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[
348.15862588,
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26,
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[
376.226311516,
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28,
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[
420.1355074879999,
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[
223.103085164,
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[
427.20265487999995,
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[
237.11134134,
0.45454545454545453,
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17,
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0,
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] | COc1ccc([N+](=O)[O-])c2c1CN[C@@H](C)CN2 | 26 |
[
260.15247788,
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[
268.193948768,
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20,
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[
390.10609918,
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26,
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] | CCN(CC(O)=N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(F)cc1F | 35 |
[
310.0987280559999,
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[
274.15420919599995,
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[
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1,
0,
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[
344.257611644,
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] | CN1CCN(c2ncccc2CN=C(O)C2(C)CCCCCC2)CC1 | 15 |
[
285.071368348,
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] | N#Cc1cccc(-n2c(CO)nc3ccc(F)c(F)c32)c1 | 20 |
[
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20,
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1,
2,
0,
1,
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1,
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] | OC(C1=CCC(Cl)C=C1)(c1cccs1)C1CCNCC1 | 16 |
[
378.141341816,
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26,
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0,
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0,
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] | C[C@@H](CN(C)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccccc1 | 41 |
[
422.13002818399997,
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30,
5,
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3,
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] | CCN1CCOc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2C1=O | 21 |
[
317.148789468,
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] | CC(=O)[C@H](C)n1c(=O)c2c(nc3n(C)c(C)c(C)n23)n(C)c1=O | 41 |
[
269.005140724,
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15,
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1,
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0,
0,
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] | C=C(Br)CN=C(O)[C@H](O)c1ccccc1 | 21 |
[
308.1194635,
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21,
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1
] | O=C(O)C(NC(O)=NCC1CCCCS1)c1ccccc1 | 16 |
[
374.22055744,
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27,
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1,
1
] | CCCN(CC1COc2ccccc2O1)C(=O)C1CCCN(C(=O)CC)C1 | 19 |
[
340.15870613199996,
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[
279.137162164,
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21,
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2,
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] | CN=C(O)c1ccc(C)c(NCc2ccccc2C#N)c1 | 17 |
[
242.105527688,
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18,
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1,
2,
1,
0,
1,
1,
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1
] | CN1C(=O)C(=C2CCCC2=O)Nc2ccccc21 | 13 |
[
285.155120736,
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20,
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2,
0,
0,
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[
333.070260812,
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22,
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0,
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] | CC(C)N(CCC#N)C(=O)c1csc(-c2ccccc2Cl)n1 | 21 |
[
308.08307799199997,
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] | CC1OCCC1(O)CN=C(O)c1cc(-c2cccs2)on1 | 16 |
[
356.144867636,
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26,
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3,
0,
1,
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] | Fc1ccc(CN2CCCC(c3noc(-c4ccncc4)n3)C2)c(F)c1 | 18 |
[
264.122240372,
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] | COC(=O)c1cnc(C)nc1NC1CCC(O)=NC1 | 15 |
[
352.11898483199997,
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24,
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1,
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] | CCN(CC1CC1)C(=O)C(=O)Nc1cc2c(cc1Cl)OCCCO2 | 19 |
[
309.0935831,
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22,
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] | Cc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1 | 12 |
[
255.070699652,
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] | CCOC(=O)c1cc(C(F)F)cc(OC)c1C#N | 20 |
[
304.226311516,
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22,
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1,
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2
] | CC(C)CN(C(O)=NC1CCCCC1n1cccn1)C1CC1 | 14 |
[
320.14193026,
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22,
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2,
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0,
1,
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] | CCCc1n[nH]c(=NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 | 26 |
[
324.15862588,
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24,
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3,
1,
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] | CCOc1ccccc1-c1nc(O)n2cnc(C3CCCC3)c2n1 | 11 |
[
487.20986550000003,
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34,
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4,
1,
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0,
3,
3
] | CN1C=C2C(=O)N(N3CCN(C(=O)C4CCCN(C(=O)Nc5ccc(Cl)cc5)C4)CC3)CN2C1 | 34 |
[
305.1739415960001,
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22,
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2,
0,
1,
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1,
1,
2
] | COc1ccc(OC2CCN(C(=O)C3CCCCC3)C2)nn1 | 14 |
[
325.115359868,
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19,
4,
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1,
1,
0,
1,
1,
0,
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1
] | CC(C)CC1CN(Cc2cncc(Br)c2)C(C)CN1 | 17 |
[
296.16371126,
0.23529411764705882,
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0,
2,
5,
22,
7,
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0,
0,
0,
0,
2,
2,
0,
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0
] | CCn1ccnc1C=CC=CC(=O)C=Cc1nccn1CC | 12 |
[
207.17354767199998,
0.75,
3,
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15,
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0,
1,
1,
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1,
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0,
0,
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] | CCCC(CC)c1n[nH]c2c1CCNC2 | 9 |
[
257.11642672,
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2,
3,
5,
19,
3,
0,
0,
1,
1,
1,
1,
2,
0,
1,
1
] | O=C(O)c1cnc(-c2cccc(N3CCCC3)c2)[nH]1 | 19 |
[
377.07332183200003,
0.2222222222222222,
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3,
8,
26,
6,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] | CCS(=O)(=O)c1ccc2oc(COc3ccc(C(C)=O)cc3F)nc2c1 | 23 |
[
228.16264864,
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0,
2,
2,
17,
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0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | CCCN(CCC)c1ccnc2ccccc12 | 5 |
[
247.106924656,
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2,
2,
7,
18,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | Cc1ccc(-n2[nH]nnc2=NCCC(=O)O)cc1 | 17 |
[
176.058577496,
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1,
2,
4,
13,
1,
0,
0,
2,
2,
0,
0,
0,
0,
0,
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] | COc1ccc2ncc(=O)cc-2[nH]1 | 12 |
[
232.14364451199998,
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3,
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17,
2,
0,
0,
1,
1,
0,
2,
2,
0,
0,
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] | Cn1cncc1-c1nnc2n1CCC(CN)C2 | 7 |
[
389.17731272400005,
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6,
1,
3,
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27,
8,
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0,
1,
1,
1,
1,
2,
0,
1,
1
] | COc1ccc(NC(=O)CN(C)CC(c2cccs2)N2CCOCC2)cc1 | 18 |
[
397.211389724,
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1,
4,
8,
29,
4,
0,
0,
2,
2,
1,
1,
2,
0,
1,
1
] | CC(C)Oc1ncnc2ccc(N3CCN(C(=O)C4CCC(O)=NC4)CC3)cc12 | 23 |
[
297.03233401600005,
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2,
5,
19,
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0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | OCc1cc(Cl)cc(Cl)c1OCCc1cccnc1 | 9 |
[
281.18919773600004,
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2,
6,
3,
21,
2,
0,
1,
3,
4,
1,
1,
2,
1,
1,
2
] | Cn1c2c(c3cccc(C4(CN)CC4)c31)C1CCN2CC1 | 13 |
[
289.15143023599995,
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4,
2,
8,
20,
2,
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1,
0,
1,
0,
1,
1,
1,
0,
1
] | CC1CCC(N=c2cc(C(F)(F)F)nc(NN)[nH]2)CC1 | 25 |
[
293.177964356,
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2,
0,
4,
2,
22,
1,
0,
1,
1,
2,
2,
0,
2,
0,
1,
1
] | C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c4c(cccc24)CC3)C1 | 30 |
[
308.209992756,
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5,
1,
2,
5,
22,
8,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | CCC(O)CN1CCN(CCOc2cccc(OC)c2)CC1 | 13 |
[
210.01730694,
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0,
2,
3,
13,
1,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | COc1ccc2c(C)csc2c1S | 5 |
[
322.18273245200004,
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2,
3,
6,
22,
3,
0,
0,
2,
2,
0,
1,
1,
0,
2,
2
] | CC(C)c1cnc(N=C(O)N2CCCC(C3CCNC3)C2)s1 | 19 |
[
265.1478071,
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3,
1,
2,
4,
19,
5,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | COc1ccc(F)cc1C(=O)CCC1CCCNC1 | 10 |
[
403.19124507,
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1,
4,
6,
28,
2,
0,
4,
0,
4,
0,
0,
0,
2,
0,
2
] | CC(=O)O[C@]1(C#N)CC[C@H]2[C@@H]3CC=C4C=C([PH](=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | 65 |
[
289.215412484,
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21,
6,
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1,
1,
1,
0,
1,
0,
1,
1
] | CCCN1CCC(CN=C(O)C(N)c2ccccc2)CC1 | 15 |
[
233.141578848,
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3,
3,
17,
3,
0,
1,
1,
2,
0,
1,
1,
1,
1,
2
] | c1cncc(OCC2CCC3(CCCC3)O2)c1 | 9 |
[
354.205576072,
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1,
2,
1,
1,
2,
1,
1,
2
] | Cc1ccc(-n2[nH]c(C(=O)N3CCC(NCC4CC4)CC3)cc2=O)cc1 | 25 |
[
230.15497641599998,
1,
2,
0,
2,
3,
15,
2,
0,
0,
2,
2,
0,
0,
0,
0,
2,
2
] | CC1CCC(Cl)CN1CC1CCCN1C | 5 |
[
329.221560484,
0.6666666666666666,
6,
0,
3,
6,
24,
3,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] | Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC(C)CC(C)C1 | 18 |
[
262.04846066,
0.36363636363636365,
2,
1,
1,
6,
17,
3,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] | Cc1cccc(Cl)c1NCC(C#N)C(F)(F)F | 18 |
[
247.16060004,
1,
3,
1,
1,
4,
16,
3,
0,
0,
1,
1,
0,
0,
0,
0,
1,
1
] | CC(C)(C)CCS(=O)(=O)C1CCCNCC1 | 17 |
[
392.09211845199997,
0.5,
9,
2,
2,
11,
25,
5,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | CC(CN)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.Cl | 40 |
[
313.14601259600005,
0.5,
6,
4,
1,
7,
21,
4,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] | Cc1ccc(N=C(O)C(C)N)cc1S(=O)(=O)NC(C)(C)C | 31 |
[
223.05123962,
0.2,
4,
1,
2,
5,
15,
3,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] | OCc1nccn1Cc1ccncc1Cl | 1 |
[
274.120509056,
0.25,
4,
1,
2,
4,
20,
4,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] | COc1ccc(-c2cc(O)c(C)c(OC)c2OC)cc1 | 18 |
[
337.20015634399994,
0.8235294117647058,
7,
2,
3,
7,
24,
2,
0,
0,
3,
3,
0,
0,
0,
0,
3,
3
] | CC(=O)N1CC2(CCN(C(=O)[C@@H]3CCCCN3)CC2)C[C@@H]1C(=O)O | 37 |
[
307.17835828,
0.5882352941176471,
5,
1,
2,
5,
22,
7,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | COc1ccc(COCCCC(=O)N2CCC(C)(O)C2)cc1 | 17 |
[
348.11437811999997,
0.35294117647058826,
6,
1,
2,
7,
24,
8,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | CCOc1ccc(-c2nc(CC(=O)N(C)CCC(=O)O)cs2)cc1 | 24 |
[
317.246712612,
0.631578947368421,
4,
1,
2,
4,
23,
5,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | CCCCCN=C(O)N1CCN(c2c(C)cc(C)cc2C)CC1 | 19 |
[
396.071069336,
0.2777777777777778,
5,
1,
3,
8,
26,
4,
0,
0,
1,
1,
2,
0,
2,
0,
1,
1
] | O=C(c1ccc(NS(=O)(=O)c2ccccc2F)cc1Cl)N1CCCCC1 | 20 |
[
322.20451345199996,
0.2857142857142857,
3,
1,
2,
3,
24,
6,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] | CC(=Cc1ccccc1)CN(C)CC(O)=Nc1c(C)cccc1C | 19 |
[
289.124484812,
0.5714285714285714,
3,
1,
1,
5,
19,
10,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] | CCOCCCCNCCOc1ccc(F)cc1Cl | 5 |
[
271.137242416,
0.23529411764705882,
2,
1,
2,
3,
20,
5,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] | C[C@@H](C(O)=NCCc1cccc(F)c1)c1ccccc1 | 20 |
[
225.080121464,
0.36363636363636365,
4,
2,
2,
5,
16,
1,
0,
0,
1,
1,
1,
0,
1,
0,
0,
0
] | COC(=O)C1(N)COc2ccc(F)cc2C1 | 14 |
[
448.13358934000007,
0.38095238095238093,
7,
0,
4,
9,
30,
3,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] | Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)n(C)c(=O)n4C)CC2)c1C | 31 |
[
282.056194548,
0.46153846153846156,
5,
0,
3,
6,
19,
4,
0,
2,
0,
2,
1,
0,
1,
1,
0,
1
] | CCOS(=O)(=O)OC1CC2C(=O)C1c1ccccc12 | 15 |
[
381.022522104,
0,
6,
2,
4,
7,
24,
3,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] | O=C(Nc1ccc(-n2cncn2)cc1)c1c[nH]c2cccc(Br)c12 | 20 |
[
274.168127944,
0.75,
4,
0,
4,
4,
20,
2,
0,
2,
2,
4,
0,
0,
0,
2,
0,
2
] | C(=CC1=NC2CCCCC2O1)C1=NC2CCCCC2O1 | 10 |
[
270.2307282,
0.9333333333333333,
4,
1,
1,
4,
19,
7,
0,
0,
1,
1,
0,
0,
0,
0,
1,
1
] | CN(CCCCCO)CC(=O)N1CCCCCCC1 | 10 |
[
295.225977168,
0.875,
5,
2,
2,
5,
21,
1,
0,
0,
2,
2,
0,
0,
0,
0,
1,
1
] | CC1(C)CCCCN(C(O)=N[C@H]2CCC(O)=NC2(C)C)C1 | 29 |
[
375.26342529600004,
0.75,
7,
0,
3,
7,
27,
7,
0,
0,
2,
2,
0,
1,
1,
0,
2,
2
] | CCOC(=O)CCC1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 | 18 |
[
353.150619308,
0.5294117647058824,
6,
1,
2,
7,
24,
7,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | COCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 | 19 |
[
387.048148408,
0.5,
5,
0,
2,
7,
23,
4,
0,
0,
1,
1,
1,
0,
1,
0,
1,
1
] | COC(=O)C1CCN(Cc2cc(F)ccc2Br)C(C(=O)OC)C1 | 23 |
[
312.13615912,
0.2631578947368421,
4,
0,
2,
4,
23,
8,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] | O=C(CCCc1ccccc1)OCC(=O)OCc1ccccc1 | 12 |
[
456.146740868,
0.22727272727272727,
9,
2,
3,
10,
32,
9,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] | COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OCC(C)C)cc2)ncn1 | 27 |
[
445.11299821600005,
0.3333333333333333,
7,
1,
4,
9,
30,
6,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] | CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc1 | 34 |
[
243.18344366,
0.9230769230769231,
4,
1,
1,
4,
17,
3,
0,
0,
1,
1,
0,
0,
0,
0,
1,
1
] | CCCC(O)C1CCN(C(=O)OC(C)(C)C)C1 | 21 |
[
354.16132831199997,
0.5882352941176471,
6,
1,
2,
7,
24,
4,
0,
1,
0,
1,
1,
0,
1,
1,
0,
1
] | CN(C)S(=O)(=O)c1ccc(N(C(=O)O)C2CCCCCCC2)cc1 | 27 |
[
395.18206166799996,
0.4,
5,
2,
2,
8,
28,
7,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] | CCC(CC)C(NC(O)=Nc1cccn(CC(F)(F)F)c1=O)c1ccccc1 | 27 |
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