smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 | 11,700 |
Cc1ccccc1-n1ncc(CCCO)c1N | 11,701 |
CCc1ccccc1Nc1nc(C)cc(C(=O)Nc2cccc(C(C)=O)c2)n1 | 11,702 |
COc1ccc(CCN2CC(C(=O)OCC(=O)NCCc3ccccc3)CC2=O)cc1OC | 11,703 |
O=C(NCCCN1CCCC1=O)c1cccnc1N1CCN(CCO)CC1 | 11,704 |
CNC(=O)C(CC(C)C)NC(=O)c1cc2cc(F)ccc2oc1=O | 11,705 |
CCOc1ccccc1OS(=O)(=O)c1ccccc1Br | 11,706 |
CCNC(=O)C(C)NS(=O)(=O)c1ccc2[nH]c(=O)c(C)cc2c1 | 11,707 |
COc1c(F)cccc1C(=O)N1CCCN(CCn2cnc3ccccc32)CC1 | 11,708 |
COc1ccncc1C(O)CN | 11,709 |
CC(=O)NC(CN1CCCCCC1)C(=O)O | 11,710 |
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Oc1c(C)cccc1C | 11,711 |
Cc1nc(NC(=O)CC2C=CCC2)n(C)n1 | 11,712 |
O=C(Nc1cc(C(F)(F)F)c2cn[nH]c2c1)C1(n2cccn2)CC1 | 11,713 |
O=C(NCc1cc(F)cc(F)c1)c1ccc(NC(=O)C2CC2)cc1N1CCOCC1 | 11,714 |
Cc1occc1CN(C)CCC(C)O | 11,715 |
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccccc1C(=O)OC | 11,716 |
O=C(CCc1cc2c(cn1)[nH]c1ccccc12)N1CCN(c2ccc(F)cc2)CC1 | 11,717 |
N#Cc1c(OC(F)(F)F)ccc([N+](=O)[O-])c1O | 11,718 |
CCCCc1cc(=O)oc2cc(OC(C)C(=O)O)c(Cl)cc12 | 11,719 |
CCNC(CC(N)=O)c1cccc2ccccc12 | 11,720 |
CC(CF)Nc1ccc(Cl)cn1 | 11,721 |
CCc1ccc(-c2cn3c(CC(=O)Nc4ccc(O)c(C(=O)O)c4)csc3n2)cc1 | 11,722 |
COC(=O)c1ccc(CNC(=S)Nc2c(C)cc(C)cc2Cl)cc1 | 11,723 |
O=C(O)C=CC(=O)Nc1ccc(OC(F)F)cc1 | 11,724 |
C#CCN(C)c1ccc(C(C)N)nc1 | 11,725 |
Cc1ccc(Oc2ccc(NC(=O)N3CCC4(CCOC4)C3)cn2)cc1C | 11,726 |
CC(C)n1ccc(COC2CCNCC2)n1 | 11,727 |
CC(C)(CO)CNC(=O)Cn1cnnn1 | 11,728 |
CCOc1nc(N)nc(NCC(C)(O)CO)n1 | 11,729 |
CN(CC#N)Cc1nn(C)c(=O)[nH]1 | 11,730 |
CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)cc1 | 11,731 |
CN(CCCC(=N)N)CCc1ccncc1 | 11,732 |
Cc1cc(Br)c(O)c(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c1 | 11,733 |
O=[N+]([O-])c1nn(Cc2ccc(I)cc2)cc1Br | 11,734 |
Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 | 11,735 |
O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(-c2ccc(Br)cc2)o1 | 11,736 |
Cc1ccccc1C(O)CC(C)(C)N | 11,737 |
CC1(C)C[C@@H]1C(=O)NC1(CC(=O)O)CCC1 | 11,738 |
CC1CCN(c2ccc(NC(=O)C(=O)Nc3ccccc3F)cc2)CC1 | 11,739 |
CCCOc1cccc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)C2c2ccc(OC)c(O)c2)c1 | 11,740 |
COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)O)cc2)c1 | 11,741 |
CCN(CCO)C(=O)c1cccc(N2CCCCCC2)n1 | 11,742 |
COc1ccc2c3c(c(=O)oc2c1OCC(=O)C(C)(C)C)CCCC3 | 11,743 |
CC1CN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CCS(=O)C1 | 11,744 |
CN(Cc1ccccc1)C(=O)CNC(=O)N1CCCC(N2CCCC2)C1 | 11,745 |
CC(C)=CC(=O)CC1CCCC(C)C1 | 11,746 |
C=CCC(C(=O)N1CCC(c2ncc[nH]2)C1)N(C)C | 11,747 |
CCOCCCNC(=O)Nc1ccc2sc(NS(=O)(=O)c3ccccc3)nc2c1 | 11,748 |
O=C(C1CCC2(C1)N=N2)N1CCC(CO)(Cc2ccccc2)CC1 | 11,749 |
N[C@H](Cc1ccc2c(c1)OCCO2)C(=O)O | 11,750 |
Fc1cc(Br)ccc1C1NCCS1 | 11,751 |
OCCn1nnnc1SCc1cccc(F)c1F | 11,752 |
Cc1cccc(C(CNC(=O)CCc2cccc(F)c2)N2CCOCC2)c1 | 11,753 |
COCCCNC(=O)c1cc(-c2cccc(OC)c2)nc(O)n1 | 11,754 |
CC1(N)CCCCC1C(=O)NCCC(=O)Nc1ccccc1 | 11,755 |
Cc1ccccc1NC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 | 11,756 |
CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[C@H]1CCCN1C | 11,757 |
COc1ccc(N2CCN(c3cc(C)nc(Nc4cccc(F)c4)n3)CC2)cc1 | 11,758 |
CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 | 11,759 |
COc1ccc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)o1 | 11,760 |
Cc1nc(C(=O)NC(C)C(F)F)c(C)[nH]1 | 11,761 |
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1 | 11,762 |
O=C(O)C1(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 | 11,763 |
O=C(NCC1(c2ccccc2)CCOCC1)c1n[nH]c2c1CCC2 | 11,764 |
Cc1ccc(-n2c(SCC(=O)NNC(=O)C3CCC3)nnc2-c2ccccc2)cc1 | 11,765 |
Cc1cnn(-c2ccc(F)cc2N)c1 | 11,766 |
O=C(NCCc1ccccc1F)c1ccc(Nc2ccc(F)c(F)c2)cn1 | 11,767 |
CCOc1cccc(OC(=O)Nc2cccc(Cl)c2)c1 | 11,768 |
CCC(C)n1nc(NC(=O)N2CCC(n3ccnc3)CC2)cc1C | 11,769 |
CCC1CCC(=NNc2ccc(Cl)c(C(=O)O)c2)CC1 | 11,770 |
Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1C | 11,771 |
COc1ccc2c(CCl)cccc2c1 | 11,772 |
CC(NC(=O)C1(Cl)CC2CCC1O2)C(C)N1CCOCC1 | 11,773 |
Cc1cc(N)n(-c2ccncn2)n1 | 11,774 |
NCC1CCCCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 | 11,775 |
CCC(C(=O)NC(C)c1cc(C)sc1C)n1ccnc1 | 11,776 |
CCOc1cc(C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O | 11,777 |
CCNC(=O)CCSc1cc(N)ccc1C | 11,778 |
N#CCCCCNC(=O)c1ccncc1 | 11,779 |
C=CC(=O)N1CCC(C(=O)NCCNc2ccc3ccccc3n2)CC1 | 11,780 |
COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccc(C(C)C)cc1 | 11,781 |
COc1ccc(CNC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)cc1 | 11,782 |
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 | 11,783 |
COc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)nn1 | 11,784 |
CCn1ccnc(Oc2c(N)cccc2Br)c1=O | 11,785 |
CC1(C)SCC1NC(=O)N1CCC(N2CCCC2=O)C1 | 11,786 |
CCCCC(NC(=O)c1cnn(C(C)(C)C)c1)C(=O)O | 11,787 |
C=CCNc1ncc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1 | 11,788 |
O=Cc1ccc(Oc2cccc(F)c2F)s1 | 11,789 |
O=C(c1cccc(Cl)c1)N(Cc1ccccc1)c1ccccn1 | 11,790 |
CN(Cc1cccs1)C(CN)CC(=O)NC1CC1 | 11,791 |
CN1c2ccncc2NC(=O)CC12CCCCC2 | 11,792 |
COc1ccc2occ(C(=O)NCC3CCN(C4CC4)CC3)c2c1 | 11,793 |
COc1c(F)cccc1S(=O)(=O)N1CCNC(=O)C1 | 11,794 |
CC1CCCCN1C(=O)C=Cc1c(Cl)nc2sccn12 | 11,795 |
CC1(C(=O)NCc2cccc(N)n2)CC1 | 11,796 |
CN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2F)nc1 | 11,797 |
CCCC(C#N)N1CCN(CCCCO)CC1 | 11,798 |
CC(COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)C1CCC1 | 11,799 |
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