smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000013801693 555621781 /nfs/dbraw/zinc/62/17/81/555621781.db2.gz NFHIRQXILAMCRO-WQRHYEAKSA-N -2 2 491.431 3.500 50 10 JHCALL Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000020025182 555603151 /nfs/dbraw/zinc/60/31/51/555603151.db2.gz KJRLODIKLNROKQ-MTJSOVHGSA-N -2 2 487.468 3.670 50 10 JHCALL