smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[n+](=O)c(C(=O)C=C(NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C)c1C)c(C)n2O ZINC000136794639 717150797 /nfs/dbraw/zinc/15/07/97/717150797.db2.gz KWCBDJTZQFWGIB-UHFFFAOYSA-P 2 0 538.605 2.117 1 50 KEGFRP Cc1c(C(=O)C=C(NNC(=O)C[N+](C)(C)C)C(=O)Nc2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O ZINC000137049064 717151300 /nfs/dbraw/zinc/15/13/00/717151300.db2.gz KCUMKUMMAOTRDK-UHFFFAOYSA-P 2 0 514.970 2.145 1 50 KEGFRP