smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Br)cc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)c1[O-] ZINC000002972836 562931392 /nfs/dbraw/zinc/93/13/92/562931392.db2.gz UYDUEDPSEYLRAT-VGOFMYFVSA-N -2 3 449.282 3.944 10 10 IHCEHL