smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000513495915 1071084193 /nfs/dbraw/zinc/08/41/93/1071084193.db2.gz XBTUIGIECJNUHP-UHFFFAOYSA-N -1 3 500.002 5.073 20 30 KKEDHM