smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1	ZINC000003912675	132315648	/nfs/dbraw/zinc/31/56/48/132315648.db2.gz	HEDYFGRLHPGNND-UHFFFAOYSA-N	1	2	238.251	-0.281	50	5		BBBALO
CC1(C)C2([N+](=O)[O-])CNCC1([N+](=O)[O-])C[NH2+]C2	ZINC000019882127	388750786	/nfs/dbraw/zinc/75/07/86/388750786.db2.gz	YPURPDUJCCOAIV-UHFFFAOYSA-N	1	2	244.251	-0.750	50	5		BBBALO
Nc1nc(N)[nH+]c(Cn2cnc([N+](=O)[O-])c2)n1	ZINC000026123519	356473535	/nfs/dbraw/zinc/47/35/35/356473535.db2.gz	UTESVYODLOAFCJ-UHFFFAOYSA-N	1	2	236.195	-0.811	50	5		BBBALO
C[C@H]1C[N@H+]2CN3CN1C[C@]([N+](=O)[O-])(C3)C2	ZINC000252636954	358218623	/nfs/dbraw/zinc/21/86/23/358218623.db2.gz	XOGJVWJJPCMYCI-DTWKUNHWSA-N	1	2	212.253	-0.748	50	5		BBBALO
C[C@H]1C[N@@H+]2CN3CN1C[C@]([N+](=O)[O-])(C3)C2	ZINC000252636954	358218622	/nfs/dbraw/zinc/21/86/22/358218622.db2.gz	XOGJVWJJPCMYCI-DTWKUNHWSA-N	1	2	212.253	-0.748	50	5		BBBALO
C[C@@H]1C[N@H+]2CN3CN1C[C@]([N+](=O)[O-])(C3)C2	ZINC000252636955	398289931	/nfs/dbraw/zinc/28/99/31/398289931.db2.gz	XOGJVWJJPCMYCI-RKDXNWHRSA-N	1	2	212.253	-0.748	50	5		BBBALO
C[C@@H]1C[N@@H+]2CN3CN1C[C@]([N+](=O)[O-])(C3)C2	ZINC000252636955	398289929	/nfs/dbraw/zinc/28/99/29/398289929.db2.gz	XOGJVWJJPCMYCI-RKDXNWHRSA-N	1	2	212.253	-0.748	50	5		BBBALO