smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CC(CO)([N+](=O)[O-])[N+](=O)[O-]	687727601	571891969	/nfs/dbraw/zinc/89/19/69/571891969.db2.gz	VPKCKWPYQDWCIU-UHFFFAOYSA-N	1	2	179.132	-1.552	10	5		AABELO
CC(C[NH2+]CCO)([N+](=O)[O-])[N+](=O)[O-]	687728041	571902748	/nfs/dbraw/zinc/90/27/48/571902748.db2.gz	UQSKTDYQLGSCTO-UHFFFAOYSA-N	1	2	193.159	-1.162	10	5		AABELO
[NH2+]=C1N[C@@H]([N+](=O)[O-])[C@H]([N+](=O)[O-])N1	100452125	573419988	/nfs/dbraw/zinc/41/99/88/573419988.db2.gz	ZDEUDRBETDFZIK-LWMBPPNESA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1NC([N+](=O)[O-])[C@H]([N+](=O)[O-])N1	100452125	573420001	/nfs/dbraw/zinc/42/00/01/573420001.db2.gz	ZDEUDRBETDFZIK-LWMBPPNESA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1NC([N+](=O)[O-])C([N+](=O)[O-])N1	100452125	573420002	/nfs/dbraw/zinc/42/00/02/573420002.db2.gz	ZDEUDRBETDFZIK-LWMBPPNESA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1N[C@H]([N+](=O)[O-])[C@@H]([N+](=O)[O-])N1	100452129	573420352	/nfs/dbraw/zinc/42/03/52/573420352.db2.gz	ZDEUDRBETDFZIK-JCYAYHJZSA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1NC([N+](=O)[O-])[C@@H]([N+](=O)[O-])N1	100452129	573420357	/nfs/dbraw/zinc/42/03/57/573420357.db2.gz	ZDEUDRBETDFZIK-JCYAYHJZSA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1NC([N+](=O)[O-])C([N+](=O)[O-])N1	100452129	573420363	/nfs/dbraw/zinc/42/03/63/573420363.db2.gz	ZDEUDRBETDFZIK-JCYAYHJZSA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1N[C@@H]([N+](=O)[O-])[C@@H]([N+](=O)[O-])N1	100452120	573422018	/nfs/dbraw/zinc/42/20/18/573422018.db2.gz	ZDEUDRBETDFZIK-XIXRPRMCSA-N	1	2	175.104	-1.890	10	5		AABELO
[NH2+]=C1NC([N+](=O)[O-])C([N+](=O)[O-])N1	100452120	573422025	/nfs/dbraw/zinc/42/20/25/573422025.db2.gz	ZDEUDRBETDFZIK-XIXRPRMCSA-N	1	2	175.104	-1.890	10	5		AABELO