smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
C[C@@H]1CNCCN1C(=O)c1ccc(=O)oc1 | 1,700 |
NNc1ccc(C(=O)N2CCCC2)nc1 | 1,701 |
Nc1ccc(-c2ncno2)cc1Cl | 1,702 |
Cc1noc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1-c1ccccc1 | 1,703 |
Cc1n[nH]cc1C1CCN(c2nc(C#N)ccc2Cl)CC1 | 1,704 |
CC(C)(C)C(=O)NC(c1nccs1)C1CCN(CCc2ccccc2)CC1 | 1,705 |
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 | 1,706 |
CNCc1cncn1C1CCC(C)CC1 | 1,707 |
Cc1cc(N)ncc1-c1noc(C2CC2C2CCCCC2)n1 | 1,708 |
CCCNC(C(C)C)C(CC)c1ccc(Cl)cc1 | 1,709 |
Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2CCCO2)cc1 | 1,710 |
Cc1ccc(C2=C(O)C(=O)N(c3cccc(Br)c3)C2=O)cc1 | 1,711 |
CCCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1 | 1,712 |
O=C(CC1CCCCCN1C(=O)c1cn[nH]c(=O)c1)c1ccccc1 | 1,713 |
COCC1(C(=O)NC2CC(=O)Nc3ccccc32)CCC1 | 1,714 |
C=C(CN(C)Cc1cc(Br)cs1)C(=O)O | 1,715 |
Cc1nc(C)c(C(=O)N2CCCCC2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)o1 | 1,716 |
NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 | 1,717 |
CSCC[C@H](NC(=O)C1CSCCN1)C(=O)O | 1,718 |
O=C(O)[C@@H]1CN(C(=O)c2scnc2C(F)(F)F)C[C@@H]1c1ccccc1 | 1,719 |
CCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(-c2cc(C)nc(C)c2)cc1 | 1,720 |
COc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)cc1OC | 1,721 |
CC(CC(N)=O)NC(=O)NC1(C(=O)O)CCOC1 | 1,722 |
CCOc1c(Br)cc(Cl)cc1NC | 1,723 |
COc1ccc(NC(=O)NC(c2nccn2C)C(C)C)c(OC)n1 | 1,724 |
O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)C1c1ccccc1F)c1ccc2c(c1)CCO2 | 1,725 |
O=C(NCC1CCN(C(=O)CC2CCCC2)CC1)c1cccnc1 | 1,726 |
CC(C)CC(=O)N1CCC(NC(=O)C2(O)CCCC2)CC1 | 1,727 |
CSCc1ccc(CNC2C=CS(=O)(=O)C2)o1 | 1,728 |
COc1cc(C(C)=O)ccc1OC(=O)c1ccco1 | 1,729 |
NC(CCO)c1ccc(F)c(F)c1 | 1,730 |
Cc1cc(F)c2c(c1)CC(C(C)C)CN2 | 1,731 |
Cn1ccc2cc(CC3COCCN(C(=O)c4ccco4)C3)ccc21 | 1,732 |
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 | 1,733 |
Fc1cccnc1CN1CCc2nc[nH]c2C12CCC2 | 1,734 |
COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC | 1,735 |
Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1C | 1,736 |
CC(NC(=O)Cn1cnc(N)n1)c1ccc(Cl)s1 | 1,737 |
Cc1cc(C=C(C#N)C(=O)OC(C)C)c(C)n1-c1cc(Cl)ccc1Cl | 1,738 |
NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O | 1,739 |
COC(=O)c1ccccc1Nc1ccnc(Nc2ccc(C)cc2)n1 | 1,740 |
CCONCc1cnn2ccccc12 | 1,741 |
O=S1(=O)NC(CN2CCCc3occc3C2)=Nc2ccccc21 | 1,742 |
OC1CCN(c2cc(C(F)(F)F)ccn2)CC1 | 1,743 |
O=C(Nc1ncccc1O)C1CN(C2CCOC2)C1 | 1,744 |
CCCC(=O)c1ccc2c(c1)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)C(C)O2 | 1,745 |
O=[N+]([O-])c1cc(F)ccc1NCc1cccnc1 | 1,746 |
CN(C(=O)CCc1cccc(Br)c1)c1ccccc1 | 1,747 |
CCOc1nc2c(F)cccc2o1 | 1,748 |
CS(=O)(=O)C1CCCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)C1 | 1,749 |
CCOC(=O)c1cc(NC(=O)C2CC(=O)N(c3ccccc3OCC)C2)[nH]n1 | 1,750 |
Cn1cc(CCNC2CCSc3ccc(Cl)cc32)cn1 | 1,751 |
CC(C)C(C)C(=O)NC1CC(Cn2cccn2)C1 | 1,752 |
CC(Oc1ccc2c(c1)OCO2)C(=O)NCCn1c(=O)[nH]c2ncccc2c1=O | 1,753 |
Cc1cc(C(=O)NCCC2=CCCCC2)nn1C1CCS(=O)(=O)C1 | 1,754 |
CC(C)(CNC(=O)c1ccc(Cl)c(N)c1)c1ccccc1 | 1,755 |
CC1CCCC(CN)N1C1CCC1 | 1,756 |
CO[C@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@H]1Cc1cc(C)no1 | 1,757 |
COc1cc(CNCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C | 1,758 |
CCCC(CCC)=NNC(=O)c1cc(Cl)ccc1OC | 1,759 |
COc1ccc(C2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O | 1,760 |
Cc1cccc(C2(C(=O)N3CCc4c(cccc4S(=O)(=O)N(C)C)C3)CCC2)c1 | 1,761 |
CC1(N2CCOCC2)CN(C(=O)CCn2ccc3ccccc32)C1 | 1,762 |
CC(C)n1cnnc1CC(=O)Nc1nc2cccnc2s1 | 1,763 |
Nc1c(O)cc(Cl)cc1C(=O)CBr | 1,764 |
COc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 | 1,765 |
Cc1cc(N(C)CCC(=O)O)nc(C)n1 | 1,766 |
CCCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1CC | 1,767 |
CC(=O)Nc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)cc1 | 1,768 |
Cc1occc1CN(C)Cc1cc(N)cc(Br)c1 | 1,769 |
Cc1ccc2cccc(NC(=O)NC(C)C3CN(C)CCO3)c2n1 | 1,770 |
CCCN(CCC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C | 1,771 |
c1ccc2c(c1)CCC2C1CCN1 | 1,772 |
CCN(C(=O)c1cc(NC(=O)N2CCC(C(=O)O)C2)ccc1Cl)C(C)C | 1,773 |
CCCCC(CN)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 | 1,774 |
Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3O)CC2)no1 | 1,775 |
O=C(Cn1nc(C(F)F)cc1C1CC1)NC1(c2nnc[nH]2)CCC1 | 1,776 |
CC(=O)Nc1cccc(C(=O)C=Cc2ccco2)c1 | 1,777 |
CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C | 1,778 |
Cn1ccnc1C(=O)c1cccc(-c2ccccc2CN2CCOCC2)c1 | 1,779 |
CCOc1cc(/C=N/NS(=O)(=O)c2cccs2)cc(Cl)c1O | 1,780 |
O=C(Cc1ccc(Cl)cc1)NCCCC1CCOCC1 | 1,781 |
Cn1ccnc1C(=O)c1c(F)cc(Br)cc1F | 1,782 |
CC1(C2CCN(C(=O)CCNC(=O)C3CCCCC3)CC2)NC(=O)NC1=O | 1,783 |
COc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 | 1,784 |
Cc1nn(C)cc1C1CC(O)=Nc2c1c(C)nn2C1CCS(=O)(=O)C1 | 1,785 |
CSc1ncccc1C(=O)N1CCN(Cc2nnc[nH]2)CC1 | 1,786 |
NCC1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] | 1,787 |
CCCCN(CCO)C(=O)c1cn[nH]c1 | 1,788 |
Nc1cn[nH]c1-c1cccc(Br)c1 | 1,789 |
CN(C)c1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 | 1,790 |
COc1ccccc1N1CC(C(=O)Nc2nnc(CC(C)C)s2)CC1=O | 1,791 |
CC1(CC2CC2)CC1CN | 1,792 |
Clc1ccc(CNc2cccc3ccncc23)o1 | 1,793 |
CCCOCCCNc1ncnc2c1cnn2C | 1,794 |
CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccn(C)c2=O)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 | 1,795 |
Cc1cccc(C(=O)OCc2ccnn2C)c1Cl | 1,796 |
COc1ccccc1C(NC(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1 | 1,797 |
O=C(Nc1cccc(N2CCC2=O)c1)NC1CC2CC1C1CCCC21 | 1,798 |
CC1CCC(NC(=O)NC(C)C)C1 | 1,799 |
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