smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
COCCCOc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1 | 12,800 |
CN(C)CCCNc1nncc(NCC2CCCO2)n1 | 12,801 |
Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)c(C)sc2n1 | 12,802 |
Cc1nc(C)c(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c(=O)[nH]1 | 12,803 |
CN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccc(F)c2)nc1 | 12,804 |
COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2F)CCCC4)cc1 | 12,805 |
O=C(Nc1cccc(Cl)c1-n1cccn1)[C@H]1CCCO1 | 12,806 |
O=C(c1cccc(OCC2CCCO2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 | 12,807 |
CC(O)C1CCN(C(=O)CCN)CC1 | 12,808 |
O=C(Nc1ccc(CN2CCOCC2)cc1)c1cncc(Br)c1 | 12,809 |
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCOCC(C4CCC4)C3)c2C)c1 | 12,810 |
Cc1cccn2cc(CCNC3CCCC(C)C3C)nc12 | 12,811 |
COc1ccc(-c2ccc(C(=O)N3CCC(c4nccn4C)CC3)o2)cc1 | 12,812 |
NCC(NC(=O)N1CC(F)C1)C1CCCC1 | 12,813 |
C=CCN1C(=O)C(C)Oc2cc(NC(=O)COc3ccccc3Cl)ccc21 | 12,814 |
Nc1cc([N+](=O)[O-])n[nH]1 | 12,815 |
COC(=O)CCN(C)Cc1cncc(Br)c1 | 12,816 |
Nc1ccc(F)cc1NC(=O)N1CCCCC1 | 12,817 |
CC1(O)CCN(C(=O)c2cc(Br)cnc2N)CC1 | 12,818 |
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cc(=O)n2c3c(sc2n1)CCCC3 | 12,819 |
O=C(O)c1ccc2c(c1)CCN2C(=O)CCc1nccs1 | 12,820 |
C=C(CC)C(=O)N1CCOC(c2ccco2)C1 | 12,821 |
COc1ccc(CNC(=O)NCC(c2ccccc2Cl)N(C)C)cc1 | 12,822 |
CCC(C)Oc1ccc(F)cc1N | 12,823 |
CC(C)NC(=O)NCC(=O)Nc1c(F)cccc1F | 12,824 |
CCCCN(C)S(=O)(=O)Cl | 12,825 |
Cc1scc(C(=O)Nc2nnn[nH]2)c1C | 12,826 |
NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)O1 | 12,827 |
CNC1(CC(=O)NN)CCCCC1 | 12,828 |
COCC(N)CCc1ccc(F)cc1Br | 12,829 |
COc1ccc2cc(CN(CC3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 | 12,830 |
COC(=O)C1CC=CC1 | 12,831 |
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2Cl)c1C#N | 12,832 |
O=C(Cl)c1cc(F)cc([N+](=O)[O-])c1OC(F)(F)F | 12,833 |
O=C(CCc1cc(F)ccc1F)N1CCC(N2CCNCC2)C1 | 12,834 |
Cc1ccc(CN2CC(C)NCC2C)cc1[N+](=O)[O-] | 12,835 |
OCc1cnc(Oc2cccc(I)c2)c(Cl)c1 | 12,836 |
CC(C)(O)C1CN(C(=O)Nc2c(F)cc(Br)cc2F)C1 | 12,837 |
CCOc1ccc(NC(=O)C(=O)NCCN2CCNCC2)cc1 | 12,838 |
CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 | 12,839 |
C=C(C)C(=O)OC[Si](C)(C)OCC | 12,840 |
Cc1ncc(CNCc2ccc(OC(F)(F)F)cc2)s1 | 12,841 |
CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(C2CC2)on1 | 12,842 |
N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 | 12,843 |
NC1CCCc2[nH]c(CCC(F)(F)F)nc21 | 12,844 |
O=C(NCCc1noc(C2CCC2)n1)N(Cc1ccncc1)C1CCCCC1 | 12,845 |
CC(O)C(C)Nc1ccc(C(F)(F)F)cc1Cl | 12,846 |
CC(CNC(=O)CCC1CCNCC1)N(C)C | 12,847 |
CS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cn1 | 12,848 |
CCN(CCCCC(C)O)c1ccccc1 | 12,849 |
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2F)n1 | 12,850 |
CCC1CNCCC1(O)c1cccs1 | 12,851 |
Cc1cc(C)cc(NC(=O)CCNC(=O)NCc2ccccc2)c1 | 12,852 |
Cn1cc(C(=O)c2cccc(Cl)c2)cc1C(=O)O | 12,853 |
O=C(Nc1cc[nH]n1)c1cnc[nH]1 | 12,854 |
COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C | 12,855 |
COc1ccc(C(=O)NC2CCCCC2NC(=O)c2ccc(OC)c(I)c2)cc1I | 12,856 |
C=CCNCC(=O)NC(C)c1ccco1 | 12,857 |
CC1CC1Cn1cnc(CBr)c1 | 12,858 |
O=C(NCC(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 | 12,859 |
CC(C)Oc1ccc(N(C)C(=O)C2CCn3ccnc3C2)cc1 | 12,860 |
CC1(C)Cc2c(sc3[nH]c(=O)n(-c4ccc(Cl)cc4)c(=O)c23)CO1 | 12,861 |
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(C)n(C2CC2)c1C | 12,862 |
CC(C(=O)O)N1CCC2(CCOCC2)C1 | 12,863 |
Cc1ccc(C2(O)CC2)cc1Cl | 12,864 |
Cn1ncc(NCc2ccc3c(c2)OCCO3)c(Cl)c1=O | 12,865 |
CCc1nnsc1C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 | 12,866 |
CNc1cc(C2CCCN(Cc3ccccc3)C2)nc(CN(C)C(C)=O)n1 | 12,867 |
CCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O | 12,868 |
NCC(CC(=O)NC1CC1)N1CCCCC1 | 12,869 |
CCCn1c(CO)nnc1COCC | 12,870 |
CC1Cc2cc(S(=O)(=O)N3CCC[C@@H]3c3nc[nH]n3)ccc2O1 | 12,871 |
NCc1cccc2c1OCCC2 | 12,872 |
O=C(NC1CCCC1)c1nn[nH]c1Nc1cccc(Cl)c1 | 12,873 |
CCC1(O)CCCN(C(C)c2nc(Cc3ccc(Cl)cc3)no2)C1 | 12,874 |
CC(C(=O)NCc1ccncc1)N(c1cccc(F)c1)S(C)(=O)=O | 12,875 |
N[C@@H]1CN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C[C@H]1c1ccccc1 | 12,876 |
CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 | 12,877 |
Cc1ccc(NC(=O)CCc2c(C)nn3cnnc3c2C)c(C)c1 | 12,878 |
CC(C)c1nc(CSC(C)(C)C)nc(Cl)c1Br | 12,879 |
CC(C)Oc1ncc(CBr)cc1Cl | 12,880 |
CONC(=O)C(C)NC(=O)C=Cc1ccccc1 | 12,881 |
O=Cc1cccc(-n2cnc(C(=O)O)c2)n1 | 12,882 |
CCCCCNC(=O)c1sc(=S)n(-c2ccccc2)c1N | 12,883 |
O=C(Cc1cccc(F)c1)NCC(=O)N1CCCC1C1CCOCC1 | 12,884 |
O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCC3CCC(C2)N3)CC1 | 12,885 |
CSCCCNc1cnn(CC(C)C)c(=O)c1Cl | 12,886 |
CC12CCN(C3c4ccccc4-c4ccccc43)CC1C2(F)F | 12,887 |
O=C(CNC(=O)N1CCCC1)NCc1ccnc(C(F)(F)F)c1 | 12,888 |
Nc1ncccc1OCC1CCCCC1 | 12,889 |
CCc1cc(Cl)c(OC(F)(F)F)cc1OC(F)F | 12,890 |
CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCc2cccs2)CC1 | 12,891 |
CCOc1c(CC)ccc(CC(=O)O)c1S | 12,892 |
O=C(O)C(=O)c1ccc2[nH]c(=O)oc2c1 | 12,893 |
OC(c1ccoc1Br)c1occc1Br | 12,894 |
CN(NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 | 12,895 |
CC(Cl)C1(Cc2ccsc2Br)CC1 | 12,896 |
CC(NCc1ccccc1)C1CCCO1 | 12,897 |
CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1ccc(F)c(C)c1)CC2 | 12,898 |
C[C@H]1CN(c2cncc(Br)c2)CCN1S(C)(=O)=O | 12,899 |
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