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(NCc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1[O-] ZINC000216996654 351944247 /nfs/dbraw/zinc/94/42/47/351944247.db2.gz MHKAZBQPTBNBSR-UHFFFAOYSA-N -2 1 284.275 0.887 50 70 CCIAML