smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2O)C[C@H]1c1ccc(Br)cc1 ZINC000101764474 560801019 /nfs/dbraw/zinc/80/10/19/560801019.db2.gz DHPZIBHWYOSINM-LBPRGKRZSA-N -2 2 423.292 2.609 50 0 HFAALL CC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2O)C[C@@H]1c1ccc(Br)cc1 ZINC000101764477 560801061 /nfs/dbraw/zinc/80/10/61/560801061.db2.gz DHPZIBHWYOSINM-GFCCVEGCSA-N -2 2 423.292 2.609 50 0 HFAALL