SMILES
string | Y
int64 |
|---|---|
O=C(Cc1ccccc1)OCCN1CCN(CCOC(=O)Cc2ccccc2)CC1 | 0 |
O=C(CCc1ccccc1)OCCN1CCN(CCOC(=O)CCc2ccccc2)CC1 | 0 |
CC[C@H](C1=C([C@H](CC)c2ccccc2)OCCCN2CCN(CCCO1)CC2)c1ccccc1 | 0 |
CN(C)CCN(Cc1ccsc1)c1ccccn1 | 0 |
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 | 0 |
O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1 | 0 |
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2 | 0 |
COc1cc2nc(N3CCN(C(=O)c4nnc(SC)o4)CC3)nc(N)c2cc1OC | 0 |
CSc1ccccc1OC[C@H](O)CNC(C)C | 0 |
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 0 |
COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC | 0 |
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC | 0 |
O=C(O)COCCOCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1 | 0 |
NCCCCCCNSc1cccc2c(Cl)cccc12 | 0 |
NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | 0 |
COc1ccc(CN(CCN(C)C)c2nccs2)cc1 | 0 |
c1ccc(N2CCN(CCc3nn[nH]n3)CC2)cc1 | 0 |
O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2cc(O)cc(O)c12 | 1 |
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