smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
Cc1nc(CNc2ccc(C(=O)N(C)C)c(C)c2)cs1 | 5,700 |
CCCC(C)(N)C(=O)Nc1ccc(NC(N)=O)c(OC)c1 | 5,701 |
CCNC(=O)CCC1CCCN(S(=O)(=O)c2ccccc2F)C1 | 5,702 |
CC1(C2CNC(=O)CO2)CCCCC1 | 5,703 |
Cc1cc(C(F)(F)F)nc(N2CCC(Nc3ccccn3)C2)n1 | 5,704 |
O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Oc2cccc3ccccc23)cc1 | 5,705 |
O=C(c1cccs1)N1CCC(c2nc(O)c3nnn(Cc4c(Cl)cccc4Cl)c3n2)CC1 | 5,706 |
Cc1cccc(C2(C(=O)N3CCCC(Cc4cccc5cccnc45)C3)CCOCC2)c1 | 5,707 |
CSCC1CCCN1C(=O)C1CCC(Cl)CC1 | 5,708 |
CCCCOC1CCCC(NCC)(C(=O)OC)C1 | 5,709 |
CC(C)N(C)CCCCC1(O)CC1 | 5,710 |
COc1ccc2[nH]cc(CCNC(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C(=O)c3ccccc3)[C@@H]45)c2c1 | 5,711 |
CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)C2c2ccc(C)o2)cc1 | 5,712 |
Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(NC(=O)NCC4CCCO4)cc3)o2)cc1 | 5,713 |
NC(=O)C1CN(C(=O)C2(c3ccccc3)CC2)C1 | 5,714 |
COc1ccc(NC(=O)c2ccccc2C(=O)O)c2ncccc12 | 5,715 |
CCNC(c1ccc(F)c(F)c1)c1nccs1 | 5,716 |
COc1ccccc1CCNC(=O)c1ccc(NC2CCCC2)cn1 | 5,717 |
Cc1cccc(C(=O)N2CCC(CO)CC2)c1NC(=O)c1ccncc1 | 5,718 |
COCC(CCO)NS(=O)(=O)N(C)C | 5,719 |
O=C(c1ccc(O)nc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)CC1CCCO1 | 5,720 |
CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1cc(Cl)ccc1C | 5,721 |
NC(=O)N1CCC(NC(=O)CS)C1 | 5,722 |
ONCc1ccc(F)c(Br)c1F | 5,723 |
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H]1CCO[C@@H]1C | 5,724 |
O=[N+]([O-])c1cc(OC(F)F)c(Cl)cc1I | 5,725 |
OCc1cccc(Br)c1OCCN1CCCCC1 | 5,726 |
Cc1ccc(C(C)N(C)C(=O)c2ccnc(-n3ccnc3)c2)s1 | 5,727 |
Nc1ccc(NCCn2ccnn2)c(F)c1 | 5,728 |
CCN(CC1CC1)c1nc(C)cc(C)c1C(=O)O | 5,729 |
CNC(=O)C1CN(C(=O)c2ccc(Cl)s2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 | 5,730 |
Cc1nn(-c2ccccc2)c2c1P(=S)(N1CCOCC1)OC(c1ccc(Cl)cc1)=N2 | 5,731 |
Nc1ncc(Br)c(C(F)F)c1O | 5,732 |
Cc1cc(C)nc(C2CN(C(=O)c3cccc4c3COC4)C2)n1 | 5,733 |
Cn1ccnc1C1(O)CN(C(=O)C(C)(C)c2ccccc2Cl)C1 | 5,734 |
CC(C)(C)NC(=O)C(=O)NCC#N | 5,735 |
CC(C)(C(N)Cc1cncs1)N1CCCCCC1 | 5,736 |
O=C(N1CCC(B(O)O)C1)C1(C2CC2)CCOCC1 | 5,737 |
COCC(O)CCc1cc(Br)cc2c1OCC2 | 5,738 |
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)c1 | 5,739 |
CCOC(CN)CC(C)(C)OC | 5,740 |
Cc1nncn1-c1cccc(NC(=O)C2CCC3CC(C)CN3C2)c1 | 5,741 |
CNC(=O)NN=C1CCC(C)C1 | 5,742 |
CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1 | 5,743 |
CCC(NC(=O)C1COc2cc(OC)ccc2C1)C(F)(F)F | 5,744 |
O=S(=O)(c1ccccc1)C(F)F | 5,745 |
CN(C)C(C)(C)CNC(=O)CCCc1cccc(Cl)c1 | 5,746 |
N#Cc1nccc(NCC2(c3ccc(F)cc3)CCC2)n1 | 5,747 |
CC1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCC1CCNCC1 | 5,748 |
O=C1Nc2ccccc2SC1CC(=O)N1CCCC1C1CCCCC1 | 5,749 |
COCc1c(Br)cccc1NC(=O)NCC1(C(C)CCO)CCC1 | 5,750 |
N#Cc1cccnc1NCc1ccc(-c2ccn[nH]2)cc1 | 5,751 |
O=C(Nc1ccc(-n2nccn2)cc1)N(CCO)Cc1ccsc1 | 5,752 |
CNc1nccc(Sc2ncco2)n1 | 5,753 |
CNC(C)CCCOc1ccc(OC)cc1 | 5,754 |
CCOCCCNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12 | 5,755 |
CCC(OC)C(=O)N1CCCCC1c1nc2ccccc2s1 | 5,756 |
c1ccc2c(c1)SCC2NC1CCN(C2CCOC2)CC1 | 5,757 |
NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2c(Br)cccc21 | 5,758 |
CCN(C1CC1)S(=O)(=O)c1ccc(CO)o1 | 5,759 |
CC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | 5,760 |
O=C(Nc1cccc(Br)c1)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | 5,761 |
Cn1ncc(N)c1C1OCC[C@H]1CNC(=O)OC(C)(C)C | 5,762 |
COc1cccc(CNn2cccc2)n1 | 5,763 |
Cc1cc(N(C)CC2CCCCC2O)n2nc(C(F)(F)F)nc2n1 | 5,764 |
CC(=O)Nc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3ccccc3)C2=O)cc1 | 5,765 |
O=C(O)c1cc(-c2cccc(O)c2O)[nH]n1 | 5,766 |
CNC(=O)NC1CCN(C)CC1 | 5,767 |
COc1ccc(Cl)cc1NC(=O)Nc1sccc1-c1nc2ccccc2s1 | 5,768 |
CCCOc1ccc(C(=O)Nc2cnn(C)c2C(N)=O)cc1 | 5,769 |
N#CC1CCCCN1S(=O)(=O)CC1CCCCC1 | 5,770 |
CC(=O)NCCc1ccc(S(=O)(=O)N2CCCn3nncc3C2)s1 | 5,771 |
CCCCNC(=O)C(CC)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 | 5,772 |
Cc1cc(OS(=O)(=O)[O-])n(-c2ccccc2)n1 | 5,773 |
Cc1cc(C(C)NC2COC2)c(C)o1 | 5,774 |
CC(CCN(C)C)NCC1(O)CCCCC1 | 5,775 |
Cc1cc(C)n(CCCC(=O)N(C)CCc2noc(C)n2)n1 | 5,776 |
CC(C)c1nnc2sc(CCC(=O)NCCN3CCOCC3)nn12 | 5,777 |
NOCc1c(Cl)ncnc1Cl | 5,778 |
Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)N4CCC(C)CC4)C3)CC2)c1 | 5,779 |
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)s3)[C@H](C)C2)n[nH]1 | 5,780 |
O=C(CCCOc1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1 | 5,781 |
Nc1ccc(Br)c(C(=O)C2CCCC2)c1 | 5,782 |
CCNC(=NCC(OC)c1ccccc1)NCC | 5,783 |
CCC(CO)NC(=O)c1ccc(OC)c(OC)c1 | 5,784 |
CN(CCc1cccs1)c1cc(O)nc(N)n1 | 5,785 |
CC(O)(CO)CNCc1cc(F)cc(Br)c1 | 5,786 |
CCNS(=O)(=O)N1CC2CCCN2CC1CC | 5,787 |
COc1ccc(Cl)cc1Nc1ccnc(Nc2ccc(NC(C)=O)cc2)n1 | 5,788 |
CC12CN(Cc3ccccc3)CC1(C)CN(C(=O)c1c[nH]c(C(N)=O)c1)C2 | 5,789 |
Cc1cc(C)c(NC(=O)CS(=O)CC(=O)O)c(C)c1 | 5,790 |
Cc1ccc(S(=O)(=O)N2CC(C(=O)Nc3c(C)cccc3C)Oc3ccc(Cl)cc32)cc1 | 5,791 |
C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1 | 5,792 |
COc1ccc(C=O)c(OCCOC(C)(C)C)c1 | 5,793 |
CCC1(C(=O)NCC(C)(C)CBr)CCCC1 | 5,794 |
CCCOc1ccc(C2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2cc(C)ccc2C)cc1OC | 5,795 |
CCCN(CCO)c1nc2ccccn2c1C=O | 5,796 |
O=C(c1cnc(C2CC2)[nH]c1=O)N(CCc1ccccn1)Cc1ccc(F)cc1 | 5,797 |
COc1cccc(OCC(=O)NC2CCCNC2C)c1 | 5,798 |
CCOC1CC(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C12CCOCC2 | 5,799 |
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