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stringlengths 46
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<|startoftext|><L><mask_1:7>[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:7> | 8 | 0 | 7 | CC(=O)OC | 7 | O=C(O)C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | O=C(O)C |
<|startoftext|><L>CC(=O)OC[C@@]12C=C[C@@H]<mask_1:10>)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:10> | 3 | 24 | 10 | (O1 | 11 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H](C)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | (O1)[C@H](C |
<|startoftext|><L>CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc<mask_1:7>[N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:7> | 1 | 48 | 7 | ( | 7 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(=O)O[N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | (C(=O)O |
<|startoftext|><L><mask_1:11>O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:11> | 4 | 0 | 11 | CC(= | 11 | CC(C)CCNC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(C)CCNC(= |
<|startoftext|><L>CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1<mask_1:6>cc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:6> | 11 | 35 | 6 | C(=O)N(c3cc | 6 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | C(c3cc |
<|startoftext|><L>CC(=O)OC[C@@]12C=<mask_1:8>1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:8> | 9 | 17 | 8 | C[C@@H](O | 8 | CC(=O)OC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | C[C@H](O |
<|startoftext|><L>CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])<mask_1:6>)C(=O)[C@@H]12<mask_1:6> | 2 | 62 | 6 | c3 | 6 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(C)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | c3)C(C |
<|startoftext|><L>CC(<mask_1:4>12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:4> | 10 | 3 | 4 | =O)OC[C@@] | 4 | CC(=O)C12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | =O)C |
<|startoftext|><L>CC(=O)OC<mask_1:10>12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12<mask_1:10> | 5 | 8 | 10 | [C@@] | 10 | CC(=O)OC(OC(C)=O)C12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | (OC(C)=O)C |
<|startoftext|><L>CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc<mask_1:8>(=O)[O-])c3)C(=O)[C@@H]12<mask_1:8> | 7 | 46 | 8 | cc([N+] | 7 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 | cc([N+] |
<|startoftext|><L>C[C@<mask_1:6>2CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1<mask_1:6> | 3 | 4 | 6 | @]1 | 6 | C[C@@H]1CN2CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | @H]1CN |
<|startoftext|><L>C[C@@]12CC<mask_1:2>[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1<mask_1:2> | 8 | 10 | 2 | [C@@H](C | 2 | C[C@@]12CCC([C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C( |
<|startoftext|><L>C[C@@]12CC[C@@H](C<mask_1:4>1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1<mask_1:4> | 5 | 18 | 4 | [C@H] | 4 | C[C@@]12CC[C@@H](C[C@]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | [C@] |
<|startoftext|><L>C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=<mask_1:7>ccc2O1<mask_1:7> | 6 | 54 | 7 | O)c2cc | 7 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)Nc2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | O)Nc2cc |
<|startoftext|><L>C[C@@]12CC<mask_1:4>C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1<mask_1:4> | 7 | 10 | 4 | [C@@H]( | 4 | C[C@@]12CCN(CCC[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | N(CC |
<|startoftext|><L>C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2c<mask_1:8>c2O1<mask_1:8> | 3 | 59 | 8 | ccc | 7 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2cc(Cl)ccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | c(Cl)cc |
<|startoftext|><L>C[C@@]12<mask_1:7>CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1<mask_1:7> | 0 | 8 | 7 | 7 | C[C@@]12CC(=O)CCC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | CC(=O)C |
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<|startoftext|><L>C[C@@]12CC[C@@<mask_1:8>1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1<mask_1:8> | 9 | 14 | 8 | H](C[C@H] | 8 | C[C@@]12CC[C@@H](C[C@]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | H](C[C@] |
<|startoftext|><L>C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC<mask_1:6>@]1(C2)NC(=O)c2ccccc2O1<mask_1:6> | 5 | 38 | 6 | 1)[C@ | 6 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1=O)[C@]1(C2)NC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | 1=O)[C |
<|startoftext|><L>C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1<mask_1:8>(=O)c2ccccc2O1<mask_1:8> | 6 | 46 | 8 | (C2)NC | 8 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NCCC(=O)c2ccccc2O1 | C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 | (C2)NCCC |
<|startoftext|><L>COc1ccc([C@@H]<mask_1:5>c2ncc([N+](=O)[O-])c(N)n2)cc1<mask_1:5> | 6 | 14 | 5 | 2CCCN2 | 5 | COc1ccc([C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | (C)CN |
<|startoftext|><L>COc1ccc([C@@H]2C<mask_1:4>CN2c2ncc([N+](=O)[O-])c(N)n2)cc1<mask_1:4> | 1 | 16 | 4 | C | 4 | COc1ccc([C@@H]2CCCCCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | CCCC |
<|startoftext|><L>COc1ccc([C@@H]2CCCN2c2nc<mask_1:3>([N+](=O)[O-])c(N)n2)cc1<mask_1:3> | 1 | 24 | 3 | c | 3 | COc1ccc([C@@H]2CCCN2c2nc(N)([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | (N) |
<|startoftext|><L>COc1ccc([C@@H]2CCCN2c2ncc(<mask_1:6>=O)[O-])c(N)n2)cc1<mask_1:6> | 5 | 26 | 6 | [N+]( | 5 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | [N+]( |
<|startoftext|><L>COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)<mask_1:4>(N)n2)cc1<mask_1:4> | 6 | 34 | 4 | [O-])c | 5 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | [O-]) |
<|startoftext|><L>COc1ccc([C<mask_1:3>H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1<mask_1:3> | 2 | 10 | 3 | @@ | 2 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | @@ |
<|startoftext|><L>C<mask_1:6>1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1<mask_1:6> | 2 | 1 | 6 | Oc | 6 | CC(C)Nc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | C(C)Nc |
<|startoftext|><L>COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N<mask_1:3>)n2)cc1<mask_1:3> | 0 | 42 | 3 | 3 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(NCCO)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | CCO |
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<|startoftext|><L>COc1ccc(<mask_1:5>C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1<mask_1:5> | 1 | 8 | 5 | [ | 5 | COc1ccc(N(C)[C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | N(C)[ |
<|startoftext|><L>COc1ccc([C@@H]2CCCN2c<mask_1:7>ncc([N+](=O)[O-])c(N)n2)cc1<mask_1:7> | 1 | 21 | 7 | 2 | 7 | COc1ccc([C@@H]2CCCN2c2cc(Cl)ncc([N+](=O)[O-])c(N)n2)cc1 | COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)cc1 | 2cc(Cl) |
<|startoftext|><L>OCC<mask_1:3>CN1CCN(Cc2ccoc2)CC1<mask_1:3> | 2 | 3 | 3 | OC | 3 | OCCOCCCN1CCN(Cc2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | OCC |
<|startoftext|><L>OCCOCCN1CCN(Cc2ccoc2<mask_1:3>C1<mask_1:3> | 2 | 20 | 3 | )C | 3 | OCCOCCN1CCN(Cc2ccoc2)CCC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | )CC |
<|startoftext|><L>OCCOCCN1CCN(<mask_1:2>ccoc2)CC1<mask_1:2> | 3 | 12 | 2 | Cc2 | 2 | OCCOCCN1CCN(c2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | c2 |
<|startoftext|><L>OCCOCCN1CCN(Cc2cco<mask_1:3>)CC1<mask_1:3> | 2 | 18 | 3 | c2 | 3 | OCCOCCN1CCN(Cc2ccoc2F)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | c2F |
<|startoftext|><L>OCCOCCN1CCN(<mask_1:2>c2ccoc2)CC1<mask_1:2> | 1 | 12 | 2 | C | 2 | OCCOCCN1CCN(CCc2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | CC |
<|startoftext|><L>OCCO<mask_1:1>CCN1CCN(Cc2ccoc2)CC1<mask_1:1> | 0 | 4 | 1 | 1 | OCCOCCCN1CCN(Cc2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | C |
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<|startoftext|><L><mask_1:3>OCCOCCN1CCN(Cc2ccoc2)CC1<mask_1:3> | 0 | 0 | 3 | 3 | N#COCCOCCN1CCN(Cc2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | N#C |
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<|startoftext|><L>OCCOCCN1CCN(Cc2ccoc2)CC<mask_1:2>1<mask_1:2> | 0 | 23 | 2 | 2 | OCCOCCN1CCN(Cc2ccoc2)CCCC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | CC |
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<|startoftext|><L>OCCOCCN1CC<mask_1:3>(Cc2ccoc2)CC1<mask_1:3> | 1 | 10 | 3 | N | 3 | OCCOCCN1CCCCN(Cc2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | CCN |
<|startoftext|><L>OCCOCCN1CCN<mask_1:2>Cc2ccoc2)CC1<mask_1:2> | 1 | 11 | 2 | ( | 2 | OCCOCCN1CCN(CCc2ccoc2)CC1 | OCCOCCN1CCN(Cc2ccoc2)CC1 | (C |
<|startoftext|><L>CCCCCn1c(<mask_1:6>)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21<mask_1:6> | 1 | 9 | 6 | O | 6 | CCCCCn1c(C(=O)O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | C(=O)O |
<|startoftext|><L>CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccc<mask_1:3>cc21<mask_1:3> | 0 | 39 | 3 | 3 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccc(C)cc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | (C) |
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<|startoftext|><L>CCCCCn1c<mask_1:3>(=O)NCc2cccnc2)c(=O)c2ccccc21<mask_1:3> | 6 | 8 | 3 | (O)c(C | 3 | CCCCCn1cc(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | c(C |
<|startoftext|><L>CCCCCn1c(O)c(C(=O)<mask_1:4>c2cccnc2)c(=O)c2ccccc21<mask_1:4> | 2 | 18 | 4 | NC | 4 | CCCCCn1c(O)c(C(=O)NCCOc2cccnc2)c(=O)c2ccccc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | NCCO |
<|startoftext|><L>CCCCCn1c(O)c(C(=O)<mask_1:2>NCc2cccnc2)c(=O)c2ccccc21<mask_1:2> | 0 | 18 | 2 | 2 | CCCCCn1c(O)c(C(=O)NCNCc2cccnc2)c(=O)c2ccccc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | NC |
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<|startoftext|><L>CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2cc<mask_1:5>21<mask_1:5> | 3 | 38 | 5 | ccc | 5 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2cc(F)sc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | (F)sc |
<|startoftext|><L>CCCCCn1c(O)c<mask_1:1>NCc2cccnc2)c(=O)c2ccccc21<mask_1:1> | 6 | 12 | 1 | (C(=O) | 1 | CCCCCn1c(O)c(NCc2cccnc2)c(=O)c2ccccc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | ( |
<|startoftext|><L>CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccc<mask_1:3>cc21<mask_1:3> | 0 | 39 | 3 | 3 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccc(F)cc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | (F) |
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<|startoftext|><L>CCCCCn1c(O)c(C(=O)NCc2c<mask_1:4>)c(=O)c2ccccc21<mask_1:4> | 5 | 23 | 4 | ccnc2 | 4 | CCCCCn1c(O)c(C(=O)NCc2ccco2)c(=O)c2ccccc21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | cco2 |
<|startoftext|><L>CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccc<mask_1:4>c21<mask_1:4> | 1 | 39 | 4 | c | 4 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2cccc(C)c21 | CCCCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 | c(C) |
<|startoftext|><L>CCCC/C<mask_1:6>N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:6> | 5 | 6 | 6 | (CC)= | 6 | CCCC/C(CC)=NN/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | (CC)=N |
<|startoftext|><L>C<mask_1:4>CCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:4> | 0 | 1 | 4 | 4 | CC(C)CCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | C(C) |
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<|startoftext|><L>CCCC<mask_1:5>C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:5> | 1 | 4 | 5 | / | 5 | CCCC(C)/CC(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | (C)/C |
<|startoftext|><L>CC<mask_1:3>CC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:3> | 0 | 2 | 3 | 3 | CCCCCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCC |
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<|startoftext|><L><mask_1:2>(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:2> | 6 | 0 | 2 | CCCC/C | 2 | CC(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CC |
<|startoftext|><L>CCCC/C(CC)=N/NS(=O)(=O)c1cc<mask_1:5>([N+](=O)[O-])cc1<mask_1:5> | 1 | 27 | 5 | c | 5 | CCCC/C(CC)=N/NS(=O)(=O)c1cc(OC)c([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | (OC)c |
<|startoftext|><L>CCCC/C(CC)=N/NS(<mask_1:3>)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:3> | 2 | 16 | 3 | =O | 2 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | =O |
<|startoftext|><L>CCCC/C(CC)=<mask_1:4>NS(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:4> | 2 | 11 | 4 | N/ | 4 | CCCC/C(CC)=N/OCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | N/OC |
<|startoftext|><L>CCCC/C(CC<mask_1:5>(=O)(=O)c1ccc([N+](=O)[O-])cc1<mask_1:5> | 6 | 9 | 5 | )=N/NS | 5 | CCCC/C(CC)=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | )=N/S |
<|startoftext|><L>CCCC/C(CC)=N/NS(=O)(=O)c1ccc<mask_1:3>N+](=O)[O-])cc1<mask_1:3> | 2 | 28 | 3 | ([ | 3 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc(N[N+](=O)[O-])cc1 | CCCC/C(CC)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 | (N[ |
<|startoftext|><L>N#Cc1c(-c2ccc<mask_1:2>)c(-c2ccccc2)nn(CC(=O)O)c1=O<mask_1:2> | 3 | 13 | 2 | cc2 | 2 | N#Cc1c(-c2cccs2)c(-c2ccccc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | s2 |
<|startoftext|><L>N#Cc1c(-c2ccccc2)c(-c2cccc<mask_1:4>2)nn(CC(=O)O)c1=O<mask_1:4> | 1 | 26 | 4 | c | 4 | N#Cc1c(-c2ccccc2)c(-c2cccc(F)c2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | (F)c |
<|startoftext|><L>N#Cc1c(-c2ccccc<mask_1:4>(-c2ccccc2)nn(CC(=O)O)c1=O<mask_1:4> | 3 | 15 | 4 | 2)c | 4 | N#Cc1c(-c2ccccc2F)c(-c2ccccc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | 2F)c |
<|startoftext|><L>N#Cc1c(-c2ccccc2)c(-<mask_1:2>cccc2)nn(CC(=O)O)c1=O<mask_1:2> | 3 | 20 | 2 | c2c | 2 | N#Cc1c(-c2ccccc2)c(-n2cccc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | n2 |
<|startoftext|><L>N#C<mask_1:3>c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O<mask_1:3> | 5 | 3 | 3 | c1c(- | 3 | N#CC1(c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | C1( |
<|startoftext|><L>N#Cc1c(-c2ccccc2)c(-c2c<mask_1:6>cc2)nn(CC(=O)O)c1=O<mask_1:6> | 2 | 23 | 6 | cc | 6 | N#Cc1c(-c2ccccc2)c(-c2ccc(Br)cc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | cc(Br) |
<|startoftext|><L>N#<mask_1:3>1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O<mask_1:3> | 2 | 2 | 3 | Cc | 3 | N#CCc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | CCc |
<|startoftext|><L>N#Cc1<mask_1:4>c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O<mask_1:4> | 3 | 5 | 4 | c(- | 4 | N#Cc1c(OCc2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | c(OC |
<|startoftext|><L>N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn<mask_1:5>=O)O)c1=O<mask_1:5> | 4 | 31 | 5 | (CC( | 5 | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CCC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | (CCC( |
<|startoftext|><L>N#Cc1c(-c2ccccc2)c(-c2ccccc2<mask_1:3>nn(CC(=O)O)c1=O<mask_1:3> | 1 | 28 | 3 | ) | 3 | N#Cc1c(-c2ccccc2)c(-c2ccccc2Cl)nn(CC(=O)O)c1=O | N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O | Cl) |
<|startoftext|><L><mask_1:1>COc1ccc(I)cc1<mask_1:1> | 2 | 0 | 1 | NC | 1 | CCOc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | C |
<|startoftext|><L><mask_1:1>COc1ccc(I)cc1<mask_1:1> | 2 | 0 | 1 | NC | 1 | CCOc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | C |
<|startoftext|><L>NCCOc1ccc(I)<mask_1:1>1<mask_1:1> | 2 | 12 | 1 | cc | 1 | NCCOc1ccc(I)s1 | NCCOc1ccc(I)cc1 | s |
<|startoftext|><L>NCCOc1c<mask_1:2>cc(I)cc1<mask_1:2> | 0 | 7 | 2 | 2 | NCCOc1ccccc(I)cc1 | NCCOc1ccc(I)cc1 | cc |
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<|startoftext|><L>NCCOc1cc<mask_1:2>c(I)cc1<mask_1:2> | 0 | 8 | 2 | 2 | NCCOc1ccccc(I)cc1 | NCCOc1ccc(I)cc1 | cc |
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<|startoftext|><L>NC<mask_1:1>COc1ccc(I)cc1<mask_1:1> | 0 | 2 | 1 | 1 | NCCCOc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | C |
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<|startoftext|><L><mask_1:1>NCCOc1ccc(I)cc1<mask_1:1> | 0 | 0 | 1 | 1 | CNCCOc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | C |
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<|startoftext|><L>NCC<mask_1:1>1ccc(I)cc1<mask_1:1> | 2 | 3 | 1 | Oc | 1 | NCCc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | c |
<|startoftext|><L>NC<mask_1:1>c1ccc(I)cc1<mask_1:1> | 2 | 2 | 1 | CO | 1 | NCCc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | C |
<|startoftext|><L>N<mask_1:1>CCOc1ccc(I)cc1<mask_1:1> | 0 | 1 | 1 | 1 | N#CCOc1ccc(I)cc1 | NCCOc1ccc(I)cc1 | # |
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<|startoftext|><L>Cc1ccc(S(=O)(=O)N2C(=O)C<mask_1:3>]2C(=O)O)cc1<mask_1:3> | 6 | 24 | 3 | C[C@@H | 3 | Cc1ccc(S(=O)(=O)N2C(=O)C[C@]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | [C@ |
<|startoftext|><L>Cc1ccc(S(=O)(=O<mask_1:5>O)CC[C@@H]2C(=O)O)cc1<mask_1:5> | 6 | 15 | 5 | )N2C(= | 5 | Cc1ccc(S(=O)(=O)N2N(O)CC[C@@H]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | )N2N( |
<|startoftext|><L>Cc1ccc<mask_1:6>O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1<mask_1:6> | 4 | 6 | 6 | (S(= | 6 | Cc1ccc(CNS(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | (CNS(= |
<|startoftext|><L>Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)<mask_1:3>)cc1<mask_1:3> | 1 | 37 | 3 | O | 3 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCC)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | NCC |
<|startoftext|><L>Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=<mask_1:4>)cc1<mask_1:4> | 3 | 35 | 4 | O)O | 4 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NO)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | O)NO |
<|startoftext|><L>Cc1ccc(S(=O)(=O)N<mask_1:1>2C(=O)CC[C@@H]2C(=O)O)cc1<mask_1:1> | 0 | 17 | 1 | 1 | Cc1ccc(S(=O)(=O)NN2C(=O)CC[C@@H]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | N |
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<|startoftext|><L>C<mask_1:5>1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1<mask_1:5> | 1 | 1 | 5 | c | 5 | COCCOc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | OCCOc |
<|startoftext|><L>Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=<mask_1:6>cc1<mask_1:6> | 4 | 35 | 6 | O)O) | 6 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)OCC)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | O)OCC) |
<|startoftext|><L>C<mask_1:5>c(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1<mask_1:5> | 4 | 1 | 5 | c1cc | 5 | CCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | Cc1cc |
<|startoftext|><L>Cc1ccc(S(=O)(=O)N2<mask_1:3>)CC[C@@H]2C(=O)O)cc1<mask_1:3> | 4 | 18 | 3 | C(=O | 3 | Cc1ccc(S(=O)(=O)N2N(C)CC[C@@H]2C(=O)O)cc1 | Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)O)cc1 | N(C |
<|startoftext|><L>O=[N+]([O-]<mask_1:7>cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:7> | 3 | 11 | 7 | )c1 | 7 | O=[N+]([O-])C(F)c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | )C(F)c1 |
<|startoftext|><L>O=[N+]([O-])c1cccc<mask_1:3>CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:3> | 1 | 18 | 3 | ( | 3 | O=[N+]([O-])c1cccc(SCCS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | (SC |
<|startoftext|><L>O=[N+](<mask_1:3>[O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:3> | 0 | 7 | 3 | 3 | O=[N+]([O][O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | [O] |
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<|startoftext|><L>O=[N+]([O-])c<mask_1:2>cc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:2> | 3 | 13 | 2 | 1cc | 2 | O=[N+]([O-])c1scc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | 1s |
<|startoftext|><L>O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)<mask_1:4>])ccc2Cl)c1<mask_1:4> | 3 | 43 | 4 | [O- | 3 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | [O- |
<|startoftext|><L>O=[N+]([O-])c1cccc(CS(=<mask_1:7>(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:7> | 2 | 23 | 7 | O) | 7 | O=[N+]([O-])c1cccc(CS(=O)(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O)(=O)C |
<|startoftext|><L>O=[N+]([O-])c1ccc<mask_1:4>S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:4> | 3 | 17 | 4 | c(C | 4 | O=[N+]([O-])c1cccc(OCS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | c(OC |
<|startoftext|><L>O=[N+]([O-])c1cccc(CS(=O)(=O)<mask_1:7>2cc([N+](=O)[O-])ccc2Cl)c1<mask_1:7> | 2 | 29 | 7 | Nc | 7 | O=[N+]([O-])c1cccc(CS(=O)(=O)NC(=S)c2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | NC(=S)c |
<|startoftext|><L>O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O<mask_1:4>c2Cl)c1<mask_1:4> | 5 | 45 | 4 | -])cc | 4 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])sc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | -])s |
<|startoftext|><L>O=[N+]([O-])c1cccc(CS(=O)(=O<mask_1:6>c([N+](=O)[O-])ccc2Cl)c1<mask_1:6> | 5 | 28 | 6 | )Nc2c | 6 | O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 | O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 | )NCc2c |