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+](C)C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000000245623	172350740	/nfs/dbraw/zinc/35/07/40/172350740.db2.gz	YLWAFVBXTFWGLP-ONEGZZNKSA-N	0	1	226.192	-0.496	50	5		BBBAMN
Nc1ncnc(NN2CCOCC2)c1[N+](=O)[O-]	ZINC000003912540	385940227	/nfs/dbraw/zinc/94/02/27/385940227.db2.gz	IDXDSODJAHYIBT-UHFFFAOYSA-N	0	1	240.223	-0.374	50	5		BBBAMN
CC(=O)CN(C)c1nc(N)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004085844	386753972	/nfs/dbraw/zinc/75/39/72/386753972.db2.gz	PJGDEDUDGXWLPM-UHFFFAOYSA-N	0	1	241.207	-0.715	50	5		BBBAMN
CNc1nc(N(C)C)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004085845	386755102	/nfs/dbraw/zinc/75/51/02/386755102.db2.gz	BJMDOQQABXMFRE-UHFFFAOYSA-N	0	1	213.197	-0.214	50	5		BBBAMN
CCOC(=O)CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000004170488	170224844	/nfs/dbraw/zinc/22/48/44/170224844.db2.gz	PCIXYKHPINYCRR-UHFFFAOYSA-N	0	1	242.191	-0.389	50	5		BBBAMN
CCn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000004797405	172146253	/nfs/dbraw/zinc/14/62/53/172146253.db2.gz	QDHPVYJXCHOBBC-UHFFFAOYSA-N	0	1	200.154	-0.953	50	5		BBBAMN
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNCC1	ZINC000008183720	372505300	/nfs/dbraw/zinc/50/53/00/372505300.db2.gz	SPWHYEFODYMLLN-UHFFFAOYSA-N	0	1	238.247	-0.021	50	5		BBBAMN
C[NH+](C)C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000033533911	172352456	/nfs/dbraw/zinc/35/24/56/172352456.db2.gz	YLWAFVBXTFWGLP-ARJAWSKDSA-N	0	1	226.192	-0.084	50	5		BBBAMN
O=C(Nc1c[nH]ccc1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000048597661	182346304	/nfs/dbraw/zinc/34/63/04/182346304.db2.gz	WISPNRLIIQTFLO-VDTYLAMSSA-N	0	1	223.188	-0.021	50	5		BBBAMN
O=C(Nc1c[nH]ccc1=O)[C@H]1CC1[N+](=O)[O-]	ZINC000048597663	182346721	/nfs/dbraw/zinc/34/67/21/182346721.db2.gz	WISPNRLIIQTFLO-FSPLSTOPSA-N	0	1	223.188	-0.021	50	5		BBBAMN
O=C(Nc1c[nH]ccc1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000048597665	182346289	/nfs/dbraw/zinc/34/62/89/182346289.db2.gz	WISPNRLIIQTFLO-IYSWYEEDSA-N	0	1	223.188	-0.021	50	5		BBBAMN
O=C(Nc1c[nH]ccc1=O)[C@H]1CC1[N+](=O)[O-]	ZINC000048597667	182347253	/nfs/dbraw/zinc/34/72/53/182347253.db2.gz	WISPNRLIIQTFLO-CAHLUQPWSA-N	0	1	223.188	-0.021	50	5		BBBAMN