smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228971605 976602876 /nfs/dbraw/zinc/60/28/76/976602876.db2.gz QVBXUJYTOXAEAO-ZETCQYMHSA-N -2 3 241.243 2.573 20 5 BFBDHL