smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])c(O)cc2cc3c(c([O-])c12)C(=O)c1c(O)cc([O-])cc1C3=O ZINC000004654696 560198939 /nfs/dbraw/zinc/19/89/39/560198939.db2.gz OXCNORDLEQIUCT-UHFFFAOYSA-N -3 3 380.308 2.444 10 10 in-vitro GECEHL COc1cc(/C=C2\C(=O)N(CCC(=O)[O-])N=C2C)cc(Br)c1[O-] ZINC000013914644 210096572 /nfs/dbraw/zinc/09/65/72/210096572.db2.gz JVAMMWBLQLNIGD-YHYXMXQVSA-N -2 3 383.198 2.240 10 10 GECEHL