smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1c(=O)c2c(Cl)ccc(Br)c2[n-]c1Nc1ccc(Cl)cc1 ZINC000040897169 563110546 /nfs/dbraw/zinc/11/05/46/563110546.db2.gz URUPDOIKTMCJNA-UHFFFAOYSA-N -1 3 426.097 5.544 20 0 IKADHM