smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1 ZINC000043300334 563169171 /nfs/dbraw/zinc/16/91/71/563169171.db2.gz YZCBVINJGMGRIK-ZDUSSCGKSA-N 1 3 460.535 2.663 40 70 JFIBHO