smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NN(c2ccccc2)C(=O)C1C=Nc1ccccc1C(=O)[O-] ZINC000008573477 431401317 /nfs/dbraw/zinc/40/13/17/431401317.db2.gz ZRGRODYQPGDTGT-PTNGSMBKSA-N -1 2 321.336 3.103 40 10 DGCBLM