smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004007916 406719505 /nfs/dbraw/zinc/71/95/05/406719505.db2.gz RLINILWAXFKMDS-UHFFFAOYSA-N 2 1 304.394 1.811 50 5 DDBAMP C[NH+]1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004746338 181146960 /nfs/dbraw/zinc/14/69/60/181146960.db2.gz GHTAQAKQABMGFL-UHFFFAOYSA-N 2 1 318.421 1.807 50 5 DDBAMP C[NH+]1CCN(CCC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000097050870 407276718 /nfs/dbraw/zinc/27/67/18/407276718.db2.gz LMWRYRAWVMENBJ-UHFFFAOYSA-N 2 1 318.421 1.590 50 5 DDBAMP