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[n-]c(-c2ccc(-c3ccccc3)cc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000015444305 556528569 /nfs/dbraw/zinc/52/85/69/556528569.db2.gz MFFDHNVSNLHTSV-UHFFFAOYSA-N -1 0 433.792 5.706 30 0 IKACRM Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)[O-] ZINC000169335815 568934356 /nfs/dbraw/zinc/93/43/56/568934356.db2.gz MIXIIJCBELCMCZ-VWLOTQADSA-N -1 0 442.515 5.634 30 0 IKACRM