smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1 ZINC000013587607 581100471 /nfs/dbraw/zinc/10/04/71/581100471.db2.gz KWAQGJBZAIHRQW-UHFFFAOYSA-N -2 0 403.350 3.394 1 30 HGEFRL