smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]C[C@@H](C)O)c2c1 ZINC000006491828 207142285 /nfs/dbraw/zinc/14/22/85/207142285.db2.gz ICWBFZWZJRCYGU-CYBMUJFWSA-N 2 0 373.884 3.822 40 10 FHCBRP Oc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccccc2)cc1O ZINC000003798745 571121245 /nfs/dbraw/zinc/12/12/45/571121245.db2.gz RYBJORHCUPVNMB-UHFFFAOYSA-N 2 0 356.510 3.623 40 10 world FHCBRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH2+]CC(C)(C)O)c2c1 ZINC000004428888 570591255 /nfs/dbraw/zinc/59/12/55/570591255.db2.gz YFDINUXFDJXWKJ-UHFFFAOYSA-N 2 0 373.884 3.822 40 10 FHCBRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]C[C@H](C)O)c2c1 ZINC000004428781 570591213 /nfs/dbraw/zinc/59/12/13/570591213.db2.gz ICWBFZWZJRCYGU-ZDUSSCGKSA-N 2 0 373.884 3.822 40 10 FHCBRP