smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc([C@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000391454931 333514493 /nfs/dbraw/zinc/51/44/93/333514493.db2.gz WRIVEGLCBBHUMF-HNNXBMFYSA-N 1 0 324.493 5.059 20 10 DKCDRO CSc1ccc([C@@H](C)[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000391454936 333514400 /nfs/dbraw/zinc/51/44/00/333514400.db2.gz WRIVEGLCBBHUMF-OAHLLOKOSA-N 1 0 324.493 5.059 20 10 DKCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000479456883 339536056 /nfs/dbraw/zinc/53/60/56/339536056.db2.gz ULQIQVFXKPHBJU-LBPRGKRZSA-N 1 0 318.873 5.052 20 10 DKCDRO