smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000020290932 553635362 /nfs/dbraw/zinc/63/53/62/553635362.db2.gz NMZRXPWZGGZKRE-UHFFFAOYSA-N -1 3 514.523 3.847 10 5 KHBEHM COc1cccc(NC(=O)C([O-])=Cc2nc3cc([N+](=O)[O-])ccc3nc2C(=O)Nc2ccccc2OC)c1 ZINC000048547666 554322493 /nfs/dbraw/zinc/32/24/93/554322493.db2.gz SMZGGEBVVNYHNA-UHFFFAOYSA-N -1 3 515.482 3.558 10 5 KHBEHM