smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-n1c2nnc(SCc3cc(=O)oc4cc([O-])c(O)cc34)n2c2ccccc2c1=O ZINC000003366757 194303774 /nfs/dbraw/zinc/30/37/74/194303774.db2.gz HHMHNHBNZOEKQB-UHFFFAOYSA-N -1 1 498.520 4.152 10 10 JICEMM