SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 | parp1 |
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCN(c4ncccn4)CC3)c21 | parp1 |
Oc1nc2ccncc2c2ccccc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccc(C(=O)N2CCCNCC2)cc1 | parp1 |
NC(=O)c1cccc2cn(Cc3ccccc3)nc12 | parp1 |
Cc1cccc2c(O)nc(-c3ccc([N+](=O)[O-])cc3)nc12 | parp1 |
O=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12 | parp1 |
O=c1[nH]c2cc(CNCCN3CCCC3)ccc2n2cccc12 | parp1 |
CC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1c1cccc(C(F)(F)F)c1 | parp1 |
O=C(CN1CCC(N2CCCC2)CC1)Nc1cnc2c(c1)nc(O)c1ccccc12 | parp1 |
O=C(NCCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 | parp1 |
O=C(NCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 | parp1 |
NC(=O)c1cccc2c1C(=O)N(C1CCCNC1)C2 | parp1 |
O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc2nc(O)c3ccccc3c2n1 | parp1 |
Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCC3 | parp1 |
O=C(NCc1ccncc1)c1ccc2c(c1)[nH]c(=O)c1cccn12 | parp1 |
O=C(CN1CCCCC1)Nc1ccc2nc(O)c3ccccc3c2n1 | parp1 |
O=C(NCCc1ccccc1)c1ccc2c(c1)nc(O)c1cc(F)ccc12 | parp1 |
O=C(Cn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccn2)CC1 | parp1 |
O=c1[nH]c2cc(-c3cccs3)nn2c2ccccc12 | parp1 |
Cc1nc(=O)c2c([nH]1)CCSC2 | parp1 |
O=c1[nH]c(C2=CC(N3CC=C(c4ccccc4)CC3)CCC2)nc2ccccc12 | parp1 |
CN(CCc1c[nH]cn1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 | parp1 |
O=c1[nH]c2cc(CNCc3ccccc3)ccc2n2cccc12 | parp1 |
CN1CCN(C(=O)c2cccc(-c3nc4cccc5c4n3CCNC5=O)c2)CC1 | parp1 |
O=C(NCCN1CCOCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 | parp1 |
O=C(CN1CCCCC1)N1CCc2c(nc(O)c3ccccc23)C1 | parp1 |
NC(=O)c1cccc2c1C(=O)N(CC1CCCNC1)C2 | parp1 |
Oc1nc2c(c3ccccc13)CCCC2 | parp1 |
Oc1nc2cnccc2c2ccccc12 | parp1 |
NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 | parp1 |
O=c1[nH]c2ccc(OC3CCN(CCN4CCCCC4)CC3)cc2c2c1CSCC2 | parp1 |
O=C1c2ccccc2C(=O)N1c1cccc(Cc2nnc(O)c3ccccc23)c1 | parp1 |
NC(=O)c1cccc2[nH]c(C3CCN3C3CCCC3)nc12 | parp1 |
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cocn3)c21 | parp1 |
O=C(CN1CCC(N2CCCC2)CC1)N1CCc2nc(O)c3ccccc3c2C1 | parp1 |
Cc1noc(-c2cccc(Cc3nnc(O)c4ccccc34)c2)n1 | parp1 |
CN(C)Cc1ccc2c(c1)NC(=O)C1CCCN21 | parp1 |
O=C1NCC2c3c(cccc31)CCN2Cc1ccccc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)N1CCN(c2ccccc2)CC1 | parp1 |
O=c1[nH]c2cc(-c3ccco3)nn2c2ccccc12 | parp1 |
O=c1[nH]c2cc(C3CCCCC3)nn2c2ccccc12 | parp1 |
O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=NC2CCOCC12 | parp1 |
O=S(=O)(CCN1CCCCC1)N1CCc2nc(O)c3ccccc3c2C1 | parp1 |
O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1 | parp1 |
O=C(CN1CCOCC1)NCCc1c[nH]c2ccc3c(c12)CCNC3=O | parp1 |
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCCN(Cc4ccccc4)CC3)c21 | parp1 |
CN(Cc1ccccn1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 | parp1 |
O=C(NCCN1CCCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12 | parp1 |
O=C(CCN1CCCCC1)N1CCc2c(nc(O)c3ccccc23)C1 | parp1 |
CCOC(=O)CCC(=O)Nc1nc(-c2ccccc2)cs1 | parp1 |
CCOc1ccc(-c2csc(/N=C/c3c[nH]c4ccccc34)n2)c(OCC)c1 | parp1 |
Nc1cccc2c(=O)[nH]ccc12 | parp1 |
O=C(CCN1CCC(N2CCCC2)CC1)N1CCc2c(nc(O)c3ccccc23)C1 | parp1 |
C[N+]1([O-])CCN(c2ccc3nc(O)c4ccccc4c3n2)CC1 | parp1 |
O=C1NCCn2c(-c3ccc(F)cc3)c(-c3cc[nH]n3)c3cccc1c32 | parp1 |
O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=NC2CCCC12 | parp1 |
O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2c1CCC2 | parp1 |
O=C(CCCCCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccn2)CC1 | parp1 |
CN(CCC(=O)Nc1cccc2c1CNC2=O)C(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | parp1 |
NC(=O)c1cccn2nc(-c3ccccc3)nc12 | parp1 |
CC1CCc2nc(CCCN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1 | parp1 |
CC(C)N1CCN(CC(=O)Nc2ccc3nc(O)c4ccccc4c3n2)CC1 | parp1 |
O=c1[nH]c2cc(CN3CCCC3)ccc2n2ccnc12 | parp1 |
O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN(CC2CC2)CC1 | parp1 |
CN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1 | parp1 |
O=S(=O)(NCCCn1ccnc1)c1ccc2c(c1)Cc1c-2nc(O)c2ccccc12 | parp1 |
O=S(=O)(NCCCNN1CCOCC1)c1cc2c(cc1F)-c1nc(O)c3ccccc3c1C2 | parp1 |
O=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12 | parp1 |
Oc1nc2ncccc2c2ccccc12 | parp1 |
NC(=O)c1cccc2c1C(=O)N(c1cccc(C3CCNCC3)c1)C2 | parp1 |
O=C(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2 | parp1 |
Oc1nc2ccc(NCCN3CCOCC3)nc2c2ccccc12 | parp1 |
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cn[nH]c3)c21 | parp1 |
O=S(=O)(CCN1CCC(N2CCCC2)CC1)N1CCc2c(nc(O)c3ccccc23)C1 | parp1 |
CC1(C)NC(C)(C)c2sc(-c3nc4c(C(N)=O)cccc4[nH]3)cc21 | parp1 |
O=S(=O)(CCN1CCC(N2CCCC2)CC1)N1CCc2nc(O)c3ccccc3c2C1 | parp1 |
NC(=O)c1cccc2c1C(=O)N(CC1CCCN1)C2 | parp1 |
O=S(=O)(CCN1CCCCC1)N1CCc2c(nc(O)c3ccccc23)C1 | parp1 |
O=C1NCCn2cc(C(O)c3ccccc3)c3cccc1c32 | parp1 |
NC(=O)c1cccc2c1C(=O)N(CC1CCNCC1)C2 | parp1 |
NC(=O)c1cccc2c1C(=O)N(c1cccc(CN3CCCC3)c1)C2 | parp1 |
O=C(CN1CCOCC1)Nc1ccc2c(c1)-c1nc(O)c3ccccc3c1C2 | parp1 |
O=S(=O)(c1cc2c(cc1F)-c1nc(O)c3ccccc3c1C2)n1ccnc1 | parp1 |
Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CSC3 | parp1 |
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1OCC1=CC(C)(C)NC1(C)C | parp1 |
O=c1[nH]c(C2CCC(N3CCC(c4ccccc4)CC3)C2)nc2ccccc12 | parp1 |
Nc1ncnc2c1ncn2C1O[C@H](CNC(=O)CCCC(=O)Nc2cccc3c2CNC3=O)[C@@H](O)[C@H]1O | parp1 |
CC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ccc21 | parp1 |
O=C(CCCN1CCCCC1)N1CCc2nc(O)c3ccccc3c2C1 | parp1 |
CC1=NC2CCSCC2C(=O)N1 | parp1 |
Cc1ccn2c(c1)nc1c3ccccc3c(=O)[nH]c12 | parp1 |
CC1(C)NC(C)(C)c2cc(-c3nc4c(C(N)=O)cccc4[nH]3)ncc21 | parp1 |
O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=NC2CCCCCC12 | parp1 |
O=C(c1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1)N1CCN2CCC[C@@H]2C1 | parp1 |
Cc1ccc2cccc(C(N)=O)c2n1 | parp1 |
O=c1[nH]c(N2CC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12 | parp1 |
CN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12 | parp1 |
COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1 | parp1 |
O=C1NCc2cccc3cccc1c23 | parp1 |
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