smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(NNC(=O)C[N+](C)(C)C)=C(CN(C)C)C(=O)Nc1ccccc1 ZINC000016958067 717112394 /nfs/dbraw/zinc/11/23/94/717112394.db2.gz RRZSYXWJRYGDBN-ZGPWBKFBSA-O 1 1 348.471 1.001 40 50 EDGBMO CC(NNC(=O)C[N+](C)(C)C)=C(CN(C)C)C(=O)Nc1ccccc1 ZINC000005503125 717100070 /nfs/dbraw/zinc/10/00/70/717100070.db2.gz RRZSYXWJRYGDBN-ZHTGWBIJSA-O 1 1 348.471 1.001 40 50 EDGBMO