smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
Cc1ccc(-c2cc(C(=O)N3CCCCO3)[nH]n2)cc1C | 4,700 |
CCC1CN(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c2cc(C)ccc2O1 | 4,701 |
COCCN(C)S(=O)(=O)C1CCCN(Cc2cnoc2C)C1 | 4,702 |
CSc1ccc(Cl)c(C(=O)N(CCCl)C(C)C)c1 | 4,703 |
CC(/C=N/NC(=O)CNc1ccccc1)=C\c1ccc(C(C)C)cc1 | 4,704 |
C#CCNCC1CCCN(C)C1 | 4,705 |
CCC1CCC(C)CC1NCc1cc(=O)n2ccccc2n1 | 4,706 |
CC1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 | 4,707 |
O=C(CCc1ccco1)Nc1cccc(CCl)c1 | 4,708 |
COc1ccc(CN(CC(=O)O)C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1 | 4,709 |
CCCN(CCC)C(=O)NC1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 | 4,710 |
COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3N)cc1Cl | 4,711 |
CC(C)c1ccc2c(c1)CCCN2C(=O)CSC1CCS(=O)(=O)C1 | 4,712 |
CC1(C)CC2CC(C)(CN2C(=O)c2ccc(F)cc2)C1 | 4,713 |
COc1cccc(NCCC(=O)NCc2ccc(C)cc2)c1 | 4,714 |
CCNC(=O)Cc1ccc(NCC(=O)Nc2ccccc2OC)cc1 | 4,715 |
COc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cn1 | 4,716 |
CCN1CCN(C(=S)NCc2ccc(C(=O)OC)cc2)CC1 | 4,717 |
CNCCN(C)C(=O)C(c1c(F)cccc1Cl)N(C)C | 4,718 |
CCc1cc(C)nc(Nc2ccc3c(c2)OCC(=O)N3C)n1 | 4,719 |
Cc1cccc(NC(=O)CNC(=O)CCBr)c1C | 4,720 |
O=C(O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 | 4,721 |
O=C(C1CCOC1)N1CCC(c2ccon2)C1 | 4,722 |
CCc1ccc(C(=O)C(C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 | 4,723 |
CCn1c(C(=O)N2CCCC(C(=O)O)C2)c(C)c2cc(Cl)ccc21 | 4,724 |
Cc1cc(C)cc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3C)c2C)c1 | 4,725 |
NC(=O)Cn1ccnc1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 | 4,726 |
Cc1ccc(C(=O)N2CCC3(CCCCCC3)C2)cc1OCCN | 4,727 |
O=C(O)c1csc(NCCn2ccnn2)n1 | 4,728 |
CNCCN(C)C(=O)Nc1ccc(F)cc1 | 4,729 |
COc1ccccc1C1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCC1 | 4,730 |
COc1ccc([C@H]2OCC[C@@H]2NC(=O)Cc2c(C)noc2C)cn1 | 4,731 |
COCCCC(=O)Cc1cc(Cl)ccc1OC | 4,732 |
CCn1nc(C)c(NC(=O)CN(C)Cc2cc(-c3ccccn3)no2)c1C | 4,733 |
CCn1ncc(C(O)C(C)C)c1C | 4,734 |
CCOCC(C)n1c(N)nc2c(C#N)cccc21 | 4,735 |
Cc1ncc(CNS(=O)(=O)CCO)s1 | 4,736 |
CCC(NCCN)c1ccc2c(c1)CCO2 | 4,737 |
COc1ccc(C2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 | 4,738 |
CCCC(N)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 | 4,739 |
OCc1ccccc1-c1cc(O)ccn1 | 4,740 |
CN(Cc1ccccc1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O | 4,741 |
CC(N)Cc1nc(-c2cccc(C#N)c2)cs1 | 4,742 |
CC1CCCCC1NC(=O)NC1CCCc2c1cnn2C | 4,743 |
[N-]=[N+]=NCCCNC(=O)C1CCCS1 | 4,744 |
Oc1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 | 4,745 |
NC(=O)c1cc(C(=O)N2CC3(CCCCC3)C2)n[nH]1 | 4,746 |
COc1nc(N)nc(Oc2cccnc2C)n1 | 4,747 |
CCOC(=O)c1[nH]c(=O)[nH]c1CSc1ccccn1 | 4,748 |
Nc1c(Cl)cc(NC(=O)Cn2ncc3ccccc3c2=O)cc1Cl | 4,749 |
CC(C)(C)OC(=O)N1CC(C(=O)O)C2OCCC21 | 4,750 |
Cc1ccccc1C1(CC(=O)N2CCCC(C)C2)CC(=O)N(Cc2ccccc2)C1=O | 4,751 |
O=C(CCl)c1c(C(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] | 4,752 |
Cn1cc(C(=O)N[C@H]2CC2(C)C)c(-c2cccc(F)c2)n1 | 4,753 |
CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC2CCCC2(C(=O)O)C1 | 4,754 |
CC(C)(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 | 4,755 |
COc1ccc(CC(=O)Nc2ccc(NCc3ccccn3)nc2)cc1 | 4,756 |
COC(=O)c1cnn(-c2ccc(C(=O)NC(C)C)cc2)c1N | 4,757 |
COc1ccccc1-c1nn(Cc2ccc(F)cc2Cl)c(-c2ccccc2OC)c1Cl | 4,758 |
Nc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 | 4,759 |
Cc1cc(NC(=O)NCC2(C)CCCO2)n(-c2ccccn2)n1 | 4,760 |
COCCC1(N)CCC(C)CC1 | 4,761 |
CC(OC(=O)c1ccc(C(F)(F)F)nc1)C(=O)NC1CCCCCC1 | 4,762 |
O=C(CSc1nnc(COc2ccccc2)o1)N(c1ccccc1)c1ccccc1 | 4,763 |
C=C(Br)CNC1CCCC(C#N)C1 | 4,764 |
CC1(C)C(Nc2ccnc(N3CCCCC3)n2)C2CCOC21 | 4,765 |
CCN1CCCN(C(=O)NC2CCc3c2ccc(F)c3Br)CC1=O | 4,766 |
COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cc(C)ccc2F)cc1OC | 4,767 |
O=C1CC2(CCCC2)C(=O)N1Cc1cc(-c2ccco2)on1 | 4,768 |
CC(=O)N1CCN(CCNC(=O)C2CN(C)CCN(C)C2)CC1 | 4,769 |
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccc(O)c1 | 4,770 |
O=C(NC1CCS(=O)(=O)CC1)c1ccc(Br)cc1O | 4,771 |
O=C(CCn1ccc2ccc(F)cc21)Nc1nc(-c2ccncc2)cs1 | 4,772 |
Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1CN1CCN(c2ccccc2)CC1 | 4,773 |
COCCCNC(=O)C1CCN(c2ccnc3c(F)cccc23)CC1 | 4,774 |
CC1c2ccccc2CCN1C(=O)COc1cccc(F)c1 | 4,775 |
CCOC(=O)Cc1nc(C(F)(F)F)c(CN)cc1C(F)F | 4,776 |
CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 4,777 |
CCOCn1nc(C)c(CC(=O)N2CCN(CC=Cc3ccccc3)CC2)c1C | 4,778 |
Fc1ccc(F)c(C#CCCBr)c1 | 4,779 |
CC1CCN(CC(=O)NC2CC(=O)N(C)C2)CC1 | 4,780 |
CCOc1cccc(C2C(c3cc(Cl)cc(OC)c3OC)=C(O)C(=O)N2c2ccccc2C)c1 | 4,781 |
CC(C)N1CCC(N(C)C(=O)c2cc3c(F)cccc3[nH]2)C1 | 4,782 |
O=C(Cn1ccnc1Cl)NCCO | 4,783 |
CC(C)SCCCCCOc1ccccc1Br | 4,784 |
Cc1ccc(N2CCC(N[C@H]3COC[C@H]3Cc3ccncc3)CC2)cc1Cl | 4,785 |
CCc1cc(C(F)(F)F)c(CN)cc1Br | 4,786 |
COc1ccc(OC)c(NC(=O)CNC(C)C)c1 | 4,787 |
Cc1cc(SC(F)(F)F)c(C)cc1F | 4,788 |
CC1(C)C(C(=O)Cc2ccncc2)C1(C)C | 4,789 |
CC1(CNC(=O)CC2CC(O)C2(C)C)CCCCO1 | 4,790 |
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1nnnn1-c1ccccc1 | 4,791 |
O=C(O)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 | 4,792 |
CC(C)N(Cc1ccccc1)c1cncc(C(=O)Nc2ccc(F)cc2F)c1 | 4,793 |
Nc1cc(C(F)F)c(Br)c(I)n1 | 4,794 |
CC(=O)C1C(=O)C(C)N(C)C1=O | 4,795 |
COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(OC)c(OC)c(OC)c1 | 4,796 |
CC1Nc2ccnn2C(C)C1CCC(=O)N1CCC(C(=O)N(C)C)C1 | 4,797 |
CN(Cc1ccccc1NCc1cc2n(n1)CCCC2)C(=O)c1cccs1 | 4,798 |
CCN(CC)c1ccc(NC(=O)c2cnc(N(CC)c3ccccc3)nc2)cc1 | 4,799 |
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