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stringlengths 46
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| first_mask_count
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| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
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| generated_smiles
stringlengths 9
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| original_smiles
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<|startoftext|><L>O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)<mask_1:3>N1CCCCC1<mask_1:3> | 0 | 39 | 3 | 3 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)NCCN1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | NCC |
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<|startoftext|><L>O=C(c1cccnc1N1<mask_1:4>](COc2ccccc2Cl)C1)N1CCCCC1<mask_1:4> | 7 | 14 | 4 | CCC[C@H | 4 | O=C(c1cccnc1N1C[C@](COc2ccccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | C[C@ |
<|startoftext|><L>O=C(c1cccnc1N1CCC[C@<mask_1:7>Oc2ccccc2Cl)C1)N1CCCCC1<mask_1:7> | 4 | 20 | 7 | H](C | 7 | O=C(c1cccnc1N1CCC[C@](O)(CCOc2ccccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | ](O)(CC |
<|startoftext|><L>O=C(c1cccnc1N1CCC[C@H](COc2c<mask_1:6>cc2Cl)C1)N1CCCCC1<mask_1:6> | 2 | 28 | 6 | cc | 6 | O=C(c1cccnc1N1CCC[C@H](COc2ccc(Cl)cc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | cc(Cl) |
<|startoftext|><L>O=C(c1cccnc1N1CCC[C@H](COc<mask_1:7>2Cl)C1)N1CCCCC1<mask_1:7> | 6 | 26 | 7 | 2ccccc | 6 | O=C(c1cccnc1N1CCC[C@H](COc2ncccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | 2ncccc |
<|startoftext|><L>O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N<mask_1:4>1<mask_1:4> | 6 | 40 | 4 | 1CCCCC | 4 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)NC1CC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | C1CC |
<|startoftext|><L>O=C(c1c<mask_1:4>nc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1<mask_1:4> | 2 | 7 | 4 | cc | 4 | O=C(c1c[nH]nc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | [nH] |
<|startoftext|><L>O=C(c1cccnc1N1CCC[C<mask_1:3>Oc2ccccc2Cl)C1)N1CCCCC1<mask_1:3> | 5 | 19 | 3 | @H](C | 3 | O=C(c1cccnc1N1CCC[CH](Oc2ccccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | H]( |
<|startoftext|><L>O=<mask_1:4>c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1<mask_1:4> | 2 | 2 | 4 | C( | 4 | O=C(COc1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | C(CO |
<|startoftext|><L>O=C(c1cccnc1<mask_1:5>N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1<mask_1:5> | 0 | 12 | 5 | 5 | O=C(c1cccnc1)N(CCN1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | O=C(c1cccnc1N1CCC[C@H](COc2ccccc2Cl)C1)N1CCCCC1 | )N(CC |
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<|startoftext|><L>CCOC<mask_1:5>O)[C@H]1CCCN(Cc2cccc(F)c2)C1<mask_1:5> | 2 | 4 | 5 | (= | 5 | CCOCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | CNC(= |
<|startoftext|><L>CCOC(=O)[C@H]1CCCN(C<mask_1:1>ccc(F)c2)C1<mask_1:1> | 3 | 20 | 1 | c2c | 1 | CCOC(=O)[C@H]1CCCN(C2ccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | 2 |
<|startoftext|><L>C<mask_1:5>C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1<mask_1:5> | 2 | 1 | 5 | CO | 5 | COCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | OCCCN |
<|startoftext|><L>CCOC(=O)[C@H]1CCCN(Cc2cccc(F)<mask_1:5>1<mask_1:5> | 4 | 29 | 5 | c2)C | 5 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2F)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | c2F)C |
<|startoftext|><L>CCOC(=O<mask_1:5>[C@H]1CCCN(Cc2cccc(F)c2)C1<mask_1:5> | 1 | 7 | 5 | ) | 5 | CCOC(=O)CCCN[C@H]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | )CCCN |
<|startoftext|><L>CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C<mask_1:1>1<mask_1:1> | 0 | 33 | 1 | 1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)CC1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | C |
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<|startoftext|><L>CCOC(<mask_1:2>O)[C@H]1CCCN(Cc2cccc(F)c2)C1<mask_1:2> | 1 | 5 | 2 | = | 2 | CCOC(=NO)[C@H]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | =N |
<|startoftext|><L>CCOC(=O)<mask_1:4>1CCCN(Cc2cccc(F)c2)C1<mask_1:4> | 5 | 8 | 4 | [C@H] | 4 | CCOC(=O)[C@]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | [C@] |
<|startoftext|><L>CCOC(=O)[<mask_1:2>1CCCN(Cc2cccc(F)c2)C1<mask_1:2> | 4 | 9 | 2 | C@H] | 2 | CCOC(=O)[C]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | C] |
<|startoftext|><L>CC<mask_1:2>O)[C@H]1CCCN(Cc2cccc(F)c2)C1<mask_1:2> | 4 | 2 | 2 | OC(= | 2 | CC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 | (= |
<|startoftext|><L>CCN<mask_1:3>CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1<mask_1:3> | 4 | 3 | 3 | (CC) | 3 | CCN(C)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | (C) |
<|startoftext|><L>CCN(CC)CC1CCN(C(=O<mask_1:4>)c2cccc3cn[nH]c23)CC1<mask_1:4> | 0 | 18 | 4 | 4 | CCN(CC)CC1CCN(C(=O)N(C)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | )N(C |
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<|startoftext|><L>CCN(CC)CC<mask_1:5>N(C(=O)c2cccc3cn[nH]c23)CC1<mask_1:5> | 3 | 9 | 5 | 1CC | 5 | CCN(CC)CCOC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | OC1CC |
<|startoftext|><L>CCN(CC)CC1CCN(<mask_1:2>(=O)c2cccc3cn[nH]c23)CC1<mask_1:2> | 1 | 14 | 2 | C | 2 | CCN(CC)CC1CCN(CC(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CC |
<|startoftext|><L>CCN(<mask_1:3>CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1<mask_1:3> | 0 | 4 | 3 | 3 | CCN(CC#CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CC# |
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<|startoftext|><L>CCN(CC)CC1CCN(<mask_1:2>O)c2cccc3cn[nH]c23)CC1<mask_1:2> | 3 | 14 | 2 | C(= | 2 | CCN(CC)CC1CCN(C(O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | C( |
<|startoftext|><L><mask_1:4>CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1<mask_1:4> | 0 | 0 | 4 | 4 | CCOCCCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCOC |
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<|startoftext|><L>CCN(CC)C<mask_1:2>CN(C(=O)c2cccc3cn[nH]c23)CC1<mask_1:2> | 3 | 8 | 2 | C1C | 2 | CCN(CC)C1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | 1C |
<|startoftext|><L>CC<mask_1:4>CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1<mask_1:4> | 5 | 2 | 4 | N(CC) | 4 | CC(=O)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | (=O) |
<|startoftext|><L>CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c2<mask_1:4>C1<mask_1:4> | 3 | 34 | 4 | 3)C | 4 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CCC1 | CCN(CC)CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1 | 3)CC |
<|startoftext|><L>CSc1cc<mask_1:6>)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1<mask_1:6> | 7 | 6 | 6 | (Cl)c(C | 6 | CSc1cc(C)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | (C)c(C |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1c<mask_1:6>)cc1<mask_1:6> | 4 | 39 | 6 | cc(F | 6 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(C#N)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | cc(C#N |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NN<mask_1:4>cc(F)cc1<mask_1:4> | 3 | 36 | 4 | c1c | 4 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNCc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | Cc1c |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(<mask_1:2>O)NNc1ccc(F)cc1<mask_1:2> | 1 | 31 | 2 | \ | 2 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(/CO)NNc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | /C |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc<mask_1:6>1<mask_1:6> | 5 | 41 | 6 | (F)cc | 6 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(Cl)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | (Cl)cc |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)N<mask_1:4>(F)cc1<mask_1:4> | 6 | 35 | 4 | Nc1ccc | 4 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)Nc1sc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | c1sc |
<|startoftext|><L>C<mask_1:7>Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1<mask_1:7> | 6 | 1 | 7 | Sc1cc( | 7 | CCOc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | COc1cc( |
<|startoftext|><L>CSc1cc(Cl<mask_1:7>c1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1<mask_1:7> | 6 | 9 | 7 | )c(C)c | 7 | CSc1cc(Cl)cc(Cl)c1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | )cc(Cl) |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/<mask_1:5>\O)NNc1ccc(F)cc1<mask_1:5> | 4 | 27 | 5 | N=C( | 5 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\\O)NNc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | N=C(\ |
<|startoftext|><L>CSc1cc(Cl)c(C)cc1S(=O)(=O)/<mask_1:5>\O)NNc1ccc(F)cc1<mask_1:5> | 4 | 27 | 5 | N=C( | 5 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\\O)NNc1ccc(F)cc1 | CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(F)cc1 | N=C(\ |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H](C(=O)N2CC<mask_1:6>CC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:6> | 1 | 29 | 6 | C | 6 | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCC(CO)CC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | CC(CO) |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H](C(=O)N2CCCC<mask_1:7>H]1O)c1cc2n(n1)CCNC2=O<mask_1:7> | 8 | 31 | 7 | C2)CC[C@ | 7 | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)C[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | C2)C[C@ |
<|startoftext|><L>O=C(<mask_1:2>N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:2> | 0 | 4 | 2 | 2 | O=C(CCN[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | CC |
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<|startoftext|><L>O=C(N[C@@H]1C[C@@H](C(<mask_1:5>=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:5> | 0 | 22 | 5 | 5 | O=C(N[C@@H]1C[C@@H](C(=O)C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | =O)C( |
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<|startoftext|><L>O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)<mask_1:2>@H]1O)c1cc2n(n1)CCNC2=O<mask_1:2> | 4 | 34 | 2 | CC[C | 2 | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | [C |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H](<mask_1:6>CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:6> | 7 | 20 | 6 | C(=O)N2 | 6 | O=C(N[C@@H]1C[C@@H](O)C2(CCCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O)C2(C |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H](<mask_1:4>CCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:4> | 8 | 20 | 4 | C(=O)N2C | 4 | O=C(N[C@@H]1C[C@@H](OC2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | OC2C |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H]<mask_1:5>=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:5> | 3 | 19 | 5 | (C( | 5 | O=C(N[C@@H]1C[C@@H](OCC(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | (OCC( |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)C<mask_1:4>2=O<mask_1:4> | 3 | 55 | 4 | CNC | 4 | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | CCNC |
<|startoftext|><L>O=C(N[C@@H]1C[C@@H](C(=O)<mask_1:5>CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O<mask_1:5> | 2 | 25 | 5 | N2 | 5 | O=C(N[C@@H]1C[C@@H](C(=O)NCC2=CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | O=C(N[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1O)c1cc2n(n1)CCNC2=O | NCC2= |
<|startoftext|><L>CCC(=O)NCc1ccc(N2CC<mask_1:3>C2)cc1<mask_1:3> | 1 | 19 | 3 | C | 3 | CCC(=O)NCc1ccc(N2CCCCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | CCC |
<|startoftext|><L>CCC(=O<mask_1:2>NCc1ccc(N2CCCC2)cc1<mask_1:2> | 1 | 6 | 2 | ) | 2 | CCC(=O)NNCc1ccc(N2CCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | )N |
<|startoftext|><L>CCC(=O)NCc1ccc(N2CCCC2<mask_1:1>1<mask_1:1> | 3 | 22 | 1 | )cc | 1 | CCC(=O)NCc1ccc(N2CCCC2)1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | ) |
<|startoftext|><L>CCC(=O)NCc1ccc(N2CCCC2)<mask_1:1>1<mask_1:1> | 2 | 23 | 1 | cc | 1 | CCC(=O)NCc1ccc(N2CCCC2)o1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | o |
<|startoftext|><L>CCC(=O)NCc1ccc(N2CCC<mask_1:3>)cc1<mask_1:3> | 2 | 20 | 3 | C2 | 3 | CCC(=O)NCc1ccc(N2CCCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | CC2 |
<|startoftext|><L>CC<mask_1:2>O)NCc1ccc(N2CCCC2)cc1<mask_1:2> | 3 | 2 | 2 | C(= | 2 | CC(=O)NCc1ccc(N2CCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | (= |
<|startoftext|><L>CCC(=O)<mask_1:1>NCc1ccc(N2CCCC2)cc1<mask_1:1> | 0 | 7 | 1 | 1 | CCC(=O)CNCc1ccc(N2CCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | C |
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<|startoftext|><L>CCC(=O)NCc1ccc(N2CC<mask_1:1>)cc1<mask_1:1> | 3 | 19 | 1 | CC2 | 1 | CCC(=O)NCc1ccc(N2CC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | 2 |
<|startoftext|><L><mask_1:1>CCC(=O)NCc1ccc(N2CCCC2)cc1<mask_1:1> | 0 | 0 | 1 | 1 | CCCC(=O)NCc1ccc(N2CCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | C |
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<|startoftext|><L>CCC(=O<mask_1:2>NCc1ccc(N2CCCC2)cc1<mask_1:2> | 1 | 6 | 2 | ) | 2 | CCC(=O)NNCc1ccc(N2CCCC2)cc1 | CCC(=O)NCc1ccc(N2CCCC2)cc1 | )N |
<|startoftext|><L>Cc1ccc(N<mask_1:3>=C2/CCCNC2=O)c(Br)c1<mask_1:3> | 2 | 8 | 3 | /N | 3 | Cc1ccc(NC/N=C2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | C/N |
<|startoftext|><L><mask_1:1>1ccc(N/N=C2/CCCNC2=O)c(Br)c1<mask_1:1> | 2 | 0 | 1 | Cc | 1 | c1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | c |
<|startoftext|><L>C<mask_1:4>c1ccc(N/N=C2/CCCNC2=O)c(Br)c1<mask_1:4> | 0 | 1 | 4 | 4 | CC(C)c1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | C(C) |
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<|startoftext|><L>Cc1ccc(N/N=C2/<mask_1:3>CCNC2=O)c(Br)c1<mask_1:3> | 1 | 14 | 3 | C | 3 | Cc1ccc(N/N=C2/CCCCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | CCC |
<|startoftext|><L>Cc1ccc(<mask_1:1>N=C2/CCCNC2=O)c(Br)c1<mask_1:1> | 2 | 7 | 1 | N/ | 1 | Cc1ccc(/N=C2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | / |
<|startoftext|><L><mask_1:2>Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1<mask_1:2> | 0 | 0 | 2 | 2 | N#Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | N# |
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<|startoftext|><L>Cc1ccc(N/N=C2/CCCNC<mask_1:2>=O)c(Br)c1<mask_1:2> | 1 | 19 | 2 | 2 | 2 | Cc1ccc(N/N=C2/CCCNCC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | C2 |
<|startoftext|><L>Cc1ccc(N/N=C2/<mask_1:1>C2=O)c(Br)c1<mask_1:1> | 4 | 14 | 1 | CCCN | 1 | Cc1ccc(N/N=C2/CC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | C |
<|startoftext|><L>Cc1ccc(<mask_1:1>C2/CCCNC2=O)c(Br)c1<mask_1:1> | 4 | 7 | 1 | N/N= | 1 | Cc1ccc(/C2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | / |
<|startoftext|><L>Cc1ccc(N/N<mask_1:2>C2/CCCNC2=O)c(Br)c1<mask_1:2> | 1 | 10 | 2 | = | 2 | Cc1ccc(N/N=NC2/CCCNC2=O)c(Br)c1 | Cc1ccc(N/N=C2/CCCNC2=O)c(Br)c1 | =N |
<|startoftext|><L>C=CC(=O)N1CCC[C@@<mask_1:5>H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1<mask_1:5> | 0 | 17 | 5 | 5 | C=CC(=O)N1CCC[C@@H][C@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | H][C@ |
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<|startoftext|><L>C=CC(=O)N1CCC[C@@H](C(=O)<mask_1:7>Br)c3c(c2)OCCO3)C1<mask_1:7> | 6 | 25 | 7 | Nc2cc( | 7 | C=CC(=O)N1CCC[C@@H](C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | NCc2cc( |
<|startoftext|><L>C<mask_1:5>(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1<mask_1:5> | 3 | 1 | 5 | =CC | 5 | CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | S(=O) |
<|startoftext|><L>C=CC(=O)N1CCC[C@@H](<mask_1:7>C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1<mask_1:7> | 0 | 20 | 7 | 7 | C=CC(=O)N1CCC[C@@H](C(=O)NCC(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C(=O)NC |
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<|startoftext|><L>C=CC(=O)N1CCC[C@@H](C(=O)<mask_1:3>2cc(Br)c3c(c2)OCCO3)C1<mask_1:3> | 2 | 25 | 3 | Nc | 3 | C=CC(=O)N1CCC[C@@H](C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | NCc |
<|startoftext|><L>C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3<mask_1:4>)C1<mask_1:4> | 0 | 46 | 4 | 4 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C(C)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | )C(C |
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<|startoftext|><L>C=CC(=O)N1CCC[C@@H](C(=O<mask_1:5>(Br)c3c(c2)OCCO3)C1<mask_1:5> | 6 | 24 | 5 | )Nc2cc | 5 | C=CC(=O)N1CCC[C@@H](C(=O)c2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | )c2cc |
<|startoftext|><L>C=<mask_1:5>O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1<mask_1:5> | 4 | 2 | 5 | CC(= | 5 | C=CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | CCC(= |
<|startoftext|><L>C=C<mask_1:2>CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1<mask_1:2> | 7 | 3 | 2 | C(=O)N1 | 2 | C=CN1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | N1 |
<|startoftext|><L><mask_1:3>O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1<mask_1:3> | 6 | 0 | 3 | C=CC(= | 3 | C(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)c3c(c2)OCCO3)C1 | C(= |
<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c<mask_1:6>OC)n1<mask_1:6> | 1 | 37 | 6 | ( | 6 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(C(=O)OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | (C(=O) |
<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)<mask_1:2>1<mask_1:2> | 6 | 36 | 2 | c(OC)n | 2 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)cc1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | cc |
<|startoftext|><L>COc1cc<mask_1:6>c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1<mask_1:6> | 3 | 6 | 6 | c(- | 6 | COc1cc(C)c(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | (C)c(- |
<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(<mask_1:2>CC(C)C)no3)cn2)c(OC)n1<mask_1:2> | 0 | 21 | 2 | 2 | COc1ccc(-c2ccc(-c3nc(CCCC(C)C)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | CC |
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<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(CC<mask_1:5>)no3)cn2)c(OC)n1<mask_1:5> | 4 | 23 | 5 | (C)C | 5 | COc1ccc(-c2ccc(-c3nc(CC(=O)O)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | (=O)O |
<|startoftext|><L>COc1ccc(-c2ccc(<mask_1:5>nc(CC(C)C)no3)cn2)c(OC)n1<mask_1:5> | 3 | 15 | 5 | -c3 | 5 | COc1ccc(-c2ccc(CNCc3nc(CC(C)C)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | CNCc3 |
<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)<mask_1:4>C)n1<mask_1:4> | 3 | 36 | 4 | c(O | 4 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OCC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | c(OC |
<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(C<mask_1:6>)no3)cn2)c(OC)n1<mask_1:6> | 5 | 22 | 6 | C(C)C | 6 | COc1ccc(-c2ccc(-c3nc(C4CCCC4)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | 4CCCC4 |
<|startoftext|><L>COc1ccc(-c2ccc(-c3nc(CC(C)<mask_1:1>C)no3)cn2)c(OC)n1<mask_1:1> | 0 | 26 | 1 | 1 | COc1ccc(-c2ccc(-c3nc(CC(C)OC)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | O |
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<|startoftext|><L>COc1c<mask_1:5>(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1<mask_1:5> | 2 | 5 | 5 | cc | 5 | COc1cc(C)c(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c(OC)n1 | c(C)c |
<|startoftext|><L>Cc1nn(C(C)(C)C)c(=O)n1C<mask_1:4>c1ccccc1<mask_1:4> | 2 | 23 | 4 | OC | 4 | Cc1nn(C(C)(C)C)c(=O)n1CCCCOc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | CCCO |
<|startoftext|><L>Cc1nn(C(C)(C)C)c(=O)n1CO<mask_1:4>c1ccccc1<mask_1:4> | 1 | 24 | 4 | C | 4 | Cc1nn(C(C)(C)C)c(=O)n1COCCCOc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | CCCO |
<|startoftext|><L>Cc1nn(C<mask_1:3>(C)(C)C)c(=O)n1COCc1ccccc1<mask_1:3> | 0 | 7 | 3 | 3 | Cc1nn(CCNC(C)(C)C)c(=O)n1COCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | CNC |
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<|startoftext|><L><mask_1:3>1nn(C(C)(C)C)c(=O)n1COCc1ccccc1<mask_1:3> | 2 | 0 | 3 | Cc | 3 | CCc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | CCc |
<|startoftext|><L>Cc1nn(C(C)<mask_1:1>)c(=O)n1COCc1ccccc1<mask_1:1> | 4 | 10 | 1 | (C)C | 1 | Cc1nn(C(C)C)c(=O)n1COCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | C |
<|startoftext|><L>Cc1nn(C<mask_1:2>C)C)c(=O)n1COCc1ccccc1<mask_1:2> | 4 | 7 | 2 | (C)( | 2 | Cc1nn(CC(C)C)c(=O)n1COCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | C( |
<|startoftext|><L>Cc1nn(C(C)(C)C)c(=O)<mask_1:4>OCc1ccccc1<mask_1:4> | 3 | 20 | 4 | n1C | 4 | Cc1nn(C(C)(C)C)c(=O)n1CCOCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | n1CC |
<|startoftext|><L>Cc1nn(C(C)(C)C)c(=O)n<mask_1:4>Cc1ccccc1<mask_1:4> | 3 | 21 | 4 | 1CO | 4 | Cc1nn(C(C)(C)C)c(=O)n1CCSCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | 1CCS |
<|startoftext|><L>C<mask_1:1>c1nn(C(C)(C)C)c(=O)n1COCc1ccccc1<mask_1:1> | 0 | 1 | 1 | 1 | CCc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | C |
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<|startoftext|><L>Cc1nn(C(C)(C)C)c(=O)n1C<mask_1:3>c1ccccc1<mask_1:3> | 2 | 23 | 3 | OC | 3 | Cc1nn(C(C)(C)C)c(=O)n1CCCOc1ccccc1 | Cc1nn(C(C)(C)C)c(=O)n1COCc1ccccc1 | CCO |