smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+](C)C3CC3)cc2F)CC1 ZINC000071883705 203136704 /nfs/dbraw/zinc/13/67/04/203136704.db2.gz FKWIPRVKDZEEBA-UHFFFAOYSA-N 2 1 348.466 1.678 50 10 EDCAMP COc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000096474690 442139238 /nfs/dbraw/zinc/13/92/38/442139238.db2.gz LKZQNQIHZTUOQI-UHFFFAOYSA-N 2 1 341.459 1.835 50 10 EDCAMP C[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3O)C[C@H]2CCO)CC1 ZINC000104399113 219383260 /nfs/dbraw/zinc/38/32/60/219383260.db2.gz SYYMOAYDYNHFCN-GOSISDBHSA-N 2 1 333.476 1.355 50 10 EDCAMP C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000237576385 443176478 /nfs/dbraw/zinc/17/64/78/443176478.db2.gz SJDSMNMYROUKJE-AWEZNQCLSA-N 2 1 334.439 1.336 50 10 EDCAMP