smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001470932181 1068823600 /nfs/dbraw/zinc/82/36/00/1068823600.db2.gz FGSMHSPFJBBRLJ-INIZCTEOSA-N -1 2 450.427 1.492 20 0 JDADLM CCOC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1 ZINC001474792536 1069257330 /nfs/dbraw/zinc/25/73/30/1069257330.db2.gz YFYFMFDNFYPSKA-UHFFFAOYSA-N -1 2 451.524 1.283 20 0 JDADLM O=C(CSc1n[n-]c(=S)s1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001468008143 1068136697 /nfs/dbraw/zinc/13/66/97/1068136697.db2.gz KYZHLYYDBSMUBU-KOLCDFICSA-N -1 2 456.537 1.994 20 0 JDADLM O=C(c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001470932182 1068823531 /nfs/dbraw/zinc/82/35/31/1068823531.db2.gz FGSMHSPFJBBRLJ-MRXNPFEDSA-N -1 2 450.427 1.492 20 0 JDADLM O=C(c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)N1CCOC[C@H]1c1nn[n-]n1 ZINC001470935322 1068824426 /nfs/dbraw/zinc/82/44/26/1068824426.db2.gz PFSZZSPVYUAKHA-INIZCTEOSA-N -1 2 450.427 1.492 20 0 JDADLM O=C(c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001470935323 1068824568 /nfs/dbraw/zinc/82/45/68/1068824568.db2.gz PFSZZSPVYUAKHA-MRXNPFEDSA-N -1 2 450.427 1.492 20 0 JDADLM