smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH2+]C[C@@H](C)O)c2c1 ZINC000006491828 207142290 /nfs/dbraw/zinc/14/22/90/207142290.db2.gz ICWBFZWZJRCYGU-CYBMUJFWSA-N 1 3 373.884 3.822 40 10 FHCBHO COc1ccc2nc3cc(Cl)ccc3c(NCC[NH2+]CC(C)(C)O)c2c1 ZINC000004428888 570591259 /nfs/dbraw/zinc/59/12/59/570591259.db2.gz YFDINUXFDJXWKJ-UHFFFAOYSA-N 1 3 373.884 3.822 40 10 FHCBHO COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH2+]C[C@H](C)O)c2c1 ZINC000004428781 570591217 /nfs/dbraw/zinc/59/12/17/570591217.db2.gz ICWBFZWZJRCYGU-ZDUSSCGKSA-N 1 3 373.884 3.822 40 10 FHCBHO