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(C(=O)[C@H](O)CO)C(CNNc1nc2ccccc2c(=O)[nH]1)NNc1nc2ccccc2c(=O)[nH]1 ZINC000102979965 569830403 /nfs/dbraw/zinc/83/04/03/569830403.db2.gz PCCSGRWGPDJRMM-SJYIGCHYSA-N 0 2 494.468 -0.900 40 30 JBEBLN