smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c(CCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000161340157 441987393 /nfs/dbraw/zinc/98/73/93/441987393.db2.gz CLWIKRFOISLVRU-CQSZACIVSA-N -1 2 341.415 1.109 20 70 EDIDLM Cc1nc(C)c(CCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000161340252 441987610 /nfs/dbraw/zinc/98/76/10/441987610.db2.gz CLWIKRFOISLVRU-AWEZNQCLSA-N -1 2 341.415 1.109 20 70 EDIDLM