smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-][n+](O)nc2ccc([N+](=O)[O-])cc12	ZINC000002159000	363422159	/nfs/dbraw/zinc/42/21/59/363422159.db2.gz	BKYFXFGONFMJNN-UHFFFAOYSA-N	0	1	208.133	-0.123	10	5		BBBEMN
NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1	ZINC000034154334	181264873	/nfs/dbraw/zinc/26/48/73/181264873.db2.gz	GZVVTACFGLQAFF-QMMMGPOBSA-N	0	1	209.205	-0.050	10	5	in-vitro	BBBEMN
NC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1	ZINC000034154336	181277387	/nfs/dbraw/zinc/27/73/87/181277387.db2.gz	GZVVTACFGLQAFF-MRVPVSSYSA-N	0	1	209.205	-0.050	10	5	in-vitro	BBBEMN
CCOC(=O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000038222003	170237517	/nfs/dbraw/zinc/23/75/17/170237517.db2.gz	FRSVGJSYCRWTJK-UHFFFAOYSA-N	0	1	243.175	-0.580	10	5		BBBEMN
O=c1[nH]c(=O)n(CCCCO)cc1[N+](=O)[O-]	ZINC000082614778	182969955	/nfs/dbraw/zinc/96/99/55/182969955.db2.gz	SCGNFXPENAAJRL-UHFFFAOYSA-N	0	1	229.192	-0.783	10	5		BBBEMN
CC(=O)CCCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000104288273	187292323	/nfs/dbraw/zinc/29/23/23/187292323.db2.gz	VDQXHXRUPNOQRQ-UHFFFAOYSA-N	0	1	241.203	-0.186	10	5		BBBEMN
C[N+](C)(CCN)CCCS(=O)(=O)[O-]	ZINC000148528121	717153648	/nfs/dbraw/zinc/15/36/48/717153648.db2.gz	BTOABBIPPTYPKG-UHFFFAOYSA-O	0	1	211.307	-0.701	10	5		BBBEMN
Cn1cnc([N+](=O)[O-])c1NC[C@@H]1COCCN1	ZINC000236090149	346191039	/nfs/dbraw/zinc/19/10/39/346191039.db2.gz	SXERIPMMKZWTGT-SSDOTTSWSA-N	0	1	241.251	-0.271	10	5		BBBEMN
Cn1cnc([N+](=O)[O-])c1NC[C@H]1COCCN1	ZINC000236090306	346190918	/nfs/dbraw/zinc/19/09/18/346190918.db2.gz	SXERIPMMKZWTGT-ZETCQYMHSA-N	0	1	241.251	-0.271	10	5		BBBEMN
O=c1[nH]c2nc3ccccc3c(=O)[nH]n-2c1=O	ZINC000584617314	358282183	/nfs/dbraw/zinc/28/21/83/358282183.db2.gz	OAIGXUHQGSDKRP-UHFFFAOYSA-N	0	1	230.183	-0.388	10	5		BBBEMN
CC(C)(O)CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]	ZINC000584657780	411865480	/nfs/dbraw/zinc/86/54/80/411865480.db2.gz	IEZBRRBBCMJJND-UHFFFAOYSA-N	0	1	243.223	-0.145	10	5		BBBEMN