smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2cc([N+](=O)[O-])c(-n3cncn3)cc2n([O-])c1=O ZINC000013759254 581101754 /nfs/dbraw/zinc/10/17/54/581101754.db2.gz WEALAXMZWOZCHH-UHFFFAOYSA-N -1 1 290.195 -0.584 1 5 CBBFMM