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]c(-c2ccc(-c3ccccc3)cc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000015444305 556528571 /nfs/dbraw/zinc/52/85/71/556528571.db2.gz MFFDHNVSNLHTSV-UHFFFAOYSA-N 0 2 433.792 5.706 30 0 IKACLN