smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCONC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000031672480	368252486	/nfs/dbraw/zinc/25/24/86/368252486.db2.gz	KDNWBYUCZAVNNY-UHFFFAOYSA-N	0	2	241.203	-0.176	20	5		BBBDLN
O=c1[nH]nc(Cn2nccc2[N+](=O)[O-])[nH]1	ZINC000091582573	345599589	/nfs/dbraw/zinc/59/95/89/345599589.db2.gz	GECOIFSSJLKBQC-UHFFFAOYSA-N	0	2	210.153	-0.749	20	5		BBBDLN
Cc1nn(Cc2n[nH]c(=O)[nH]2)c(C)c1[N+](=O)[O-]	ZINC000092869657	388737526	/nfs/dbraw/zinc/73/75/26/388737526.db2.gz	XAJDSLFIRFJLIU-UHFFFAOYSA-N	0	2	238.207	-0.132	20	5		BBBDLN
O=c1[nH]nc(Cn2cc([N+](=O)[O-])cn2)[nH]1	ZINC000092870227	135586220	/nfs/dbraw/zinc/58/62/20/135586220.db2.gz	YIWUFLXSARWWNP-UHFFFAOYSA-N	0	2	210.153	-0.749	20	5		BBBDLN
C[C@@H](CCO)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000123433950	388732347	/nfs/dbraw/zinc/73/23/47/388732347.db2.gz	ZUDKXOIOFUZNFA-ZETCQYMHSA-N	0	2	242.235	-0.322	20	5		BBBDLN
C[C@H](CCO)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000123434201	388732219	/nfs/dbraw/zinc/73/22/19/388732219.db2.gz	ZUDKXOIOFUZNFA-SSDOTTSWSA-N	0	2	242.235	-0.322	20	5		BBBDLN
NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000123768233	181236150	/nfs/dbraw/zinc/23/61/50/181236150.db2.gz	RTHFQYYMJGSJSV-UHFFFAOYSA-N	0	2	239.187	-0.485	20	5		BBBDLN
NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000157509955	384138644	/nfs/dbraw/zinc/13/86/44/384138644.db2.gz	LNAZELJWGQOMCY-UHFFFAOYSA-N	0	2	239.187	-0.485	20	5		BBBDLN
NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000179414025	385375444	/nfs/dbraw/zinc/37/54/44/385375444.db2.gz	STZXUVKPBVWJSQ-UHFFFAOYSA-N	0	2	239.187	-0.485	20	5		BBBDLN
O=c1[nH]nc(CNc2ncc([N+](=O)[O-])s2)[nH]1	ZINC000336669157	411685318	/nfs/dbraw/zinc/68/53/18/411685318.db2.gz	GOJXQZBHGFTDJH-UHFFFAOYSA-N	0	2	242.220	0.487	20	5		BBBDLN
Cc1n[nH]c(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000343713077	350984169	/nfs/dbraw/zinc/98/41/69/350984169.db2.gz	JMXLIEKKRGKWRQ-UHFFFAOYSA-N	0	2	237.179	-0.003	20	5		BBBDLN
O=C(Nc1nn[nH]n1)c1ccc([N+](=O)[O-])[nH]1	ZINC000346340146	357024059	/nfs/dbraw/zinc/02/40/59/357024059.db2.gz	DMMOVKXCMGZMBA-UHFFFAOYSA-N	0	2	223.152	-0.312	20	5		BBBDLN
Cc1ncc([N+](=O)[O-])n1Cc1n[nH]c(=O)[nH]1	ZINC000346608344	357113541	/nfs/dbraw/zinc/11/35/41/357113541.db2.gz	MMQRDQCXPPOJKH-UHFFFAOYSA-N	0	2	224.180	-0.028	20	5		BBBDLN
O=c1[nH]nc(Cn2cc([N+](=O)[O-])ccc2=O)[nH]1	ZINC000353204557	183000988	/nfs/dbraw/zinc/00/09/88/183000988.db2.gz	NLMMGQBAPJXZIW-UHFFFAOYSA-N	0	2	237.175	-0.372	20	5		BBBDLN
O=c1[nH]nc(Cn2cccc([N+](=O)[O-])c2=O)[nH]1	ZINC000353206474	388368542	/nfs/dbraw/zinc/36/85/42/388368542.db2.gz	WFZQKYFOSGVTEG-UHFFFAOYSA-N	0	2	237.175	-0.372	20	5		BBBDLN
CN(C[C@H](O)CO)C(=O)c1ccc([N+](=O)[O-])o1	ZINC000353976647	136361914	/nfs/dbraw/zinc/36/19/14/136361914.db2.gz	RIXLDWAENDIARY-LURJTMIESA-N	0	2	244.203	-0.387	20	5		BBBDLN
CN(C[C@@H](O)CO)C(=O)c1ccc([N+](=O)[O-])o1	ZINC000353976648	136361836	/nfs/dbraw/zinc/36/18/36/136361836.db2.gz	RIXLDWAENDIARY-ZCFIWIBFSA-N	0	2	244.203	-0.387	20	5		BBBDLN
O=c1[nH]nc(CNc2ccncc2[N+](=O)[O-])[nH]1	ZINC000361046449	490277259	/nfs/dbraw/zinc/27/72/59/490277259.db2.gz	PIIWUHHMWQHIFN-UHFFFAOYSA-N	0	2	236.191	-0.153	20	5		BBBDLN
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCn2nccc21	ZINC000375595553	388719950	/nfs/dbraw/zinc/71/99/50/388719950.db2.gz	DJMRENQHRKHDAC-BQBZGAKWSA-N	0	2	222.204	-0.105	20	5		BBBDLN
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCn2nccc21	ZINC000375595556	388720019	/nfs/dbraw/zinc/72/00/19/388720019.db2.gz	DJMRENQHRKHDAC-NKWVEPMBSA-N	0	2	222.204	-0.105	20	5		BBBDLN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCn2nccc21	ZINC000375595557	388720004	/nfs/dbraw/zinc/72/00/04/388720004.db2.gz	DJMRENQHRKHDAC-RNFRBKRXSA-N	0	2	222.204	-0.105	20	5		BBBDLN
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCn2nccc21	ZINC000375595559	388720024	/nfs/dbraw/zinc/72/00/24/388720024.db2.gz	DJMRENQHRKHDAC-RQJHMYQMSA-N	0	2	222.204	-0.105	20	5		BBBDLN
Cn1cnc([N+](=O)[O-])c1NCc1n[nH]c(=O)[nH]1	ZINC000392457786	388806908	/nfs/dbraw/zinc/80/69/08/388806908.db2.gz	HFLKZYCJZLYNCB-UHFFFAOYSA-N	0	2	239.195	-0.236	20	5		BBBDLN
Cc1n[nH]c(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1	ZINC000547757567	325392889	/nfs/dbraw/zinc/39/28/89/325392889.db2.gz	KAWRHZHOGWXVNS-UHFFFAOYSA-N	0	2	237.179	-0.003	20	5		BBBDLN
CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000750757670	585219367	/nfs/dbraw/zinc/21/93/67/585219367.db2.gz	RPXGNMMJBDDEAB-UHFFFAOYSA-N	0	2	245.216	-0.185	20	5		BBBDLN
O=C(NOCCO)c1ccc([N+](=O)[O-])c(O)c1	ZINC000787293614	585905657	/nfs/dbraw/zinc/90/56/57/585905657.db2.gz	RNFJKFDDJBIQPE-UHFFFAOYSA-N	0	2	242.187	-0.046	20	5		BBBDLN
O=C(NOCCO)c1ccc([N+](=O)[O-])cc1O	ZINC000787298644	585906018	/nfs/dbraw/zinc/90/60/18/585906018.db2.gz	IPPOKVUZMRRQCS-UHFFFAOYSA-N	0	2	242.187	-0.046	20	5		BBBDLN
O=C(NOCCO)c1cc(O)ccc1[N+](=O)[O-]	ZINC000803120103	586334969	/nfs/dbraw/zinc/33/49/69/586334969.db2.gz	KHGUBOPBODHJKO-UHFFFAOYSA-N	0	2	242.187	-0.046	20	5		BBBDLN
CC(C)n1[nH]cnc1=NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000824017078	587248686	/nfs/dbraw/zinc/24/86/86/587248686.db2.gz	AGJGNYBDTFWTIL-RNFRBKRXSA-N	0	2	239.235	-0.115	20	5		BBBDLN
CC(C)n1[nH]cnc1=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000824017078	587248685	/nfs/dbraw/zinc/24/86/85/587248685.db2.gz	AGJGNYBDTFWTIL-RNFRBKRXSA-N	0	2	239.235	-0.115	20	5		BBBDLN
CC(C)(O)CONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000834628380	587761790	/nfs/dbraw/zinc/76/17/90/587761790.db2.gz	IYFNMDVNPOKHSF-PHDIDXHHSA-N	0	2	218.209	-0.530	20	5		BBBDLN
O=C(NOCC(F)F)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839727123	585338783	/nfs/dbraw/zinc/33/87/83/585338783.db2.gz	WBFNBJPNMWGRCM-QWWZWVQMSA-N	0	2	210.136	-0.036	20	5		BBBDLN
CCOCCONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839728710	585338826	/nfs/dbraw/zinc/33/88/26/585338826.db2.gz	PRMDKURBMJROGY-RNFRBKRXSA-N	0	2	218.209	-0.264	20	5		BBBDLN
CN(C)c1n[nH]c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC000839762250	585339085	/nfs/dbraw/zinc/33/90/85/585339085.db2.gz	BSEYCLHYRKDVGB-RFZPGFLSSA-N	0	2	240.223	-0.526	20	5		BBBDLN
COCCCONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839764640	585339172	/nfs/dbraw/zinc/33/91/72/585339172.db2.gz	DPVJGRRDOWJRFT-RNFRBKRXSA-N	0	2	218.209	-0.264	20	5		BBBDLN
COC(=O)CCCONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839777338	585341442	/nfs/dbraw/zinc/34/14/42/585341442.db2.gz	QZZUUYPLACOYGW-RNFRBKRXSA-N	0	2	246.219	-0.347	20	5		BBBDLN
COc1n[nH]c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC000840408918	587098570	/nfs/dbraw/zinc/09/85/70/587098570.db2.gz	VXPSDHNMFBYGDO-QWWZWVQMSA-N	0	2	227.180	-0.583	20	5		BBBDLN
CONC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1	ZINC000843770564	588138571	/nfs/dbraw/zinc/13/85/71/588138571.db2.gz	YLAAJOKPKBOKEJ-UHFFFAOYSA-N	0	2	243.175	-0.405	20	5		BBBDLN
CCONC(=O)CNc1c([N+](=O)[O-])ncn1C	ZINC000845716197	588242479	/nfs/dbraw/zinc/24/24/79/588242479.db2.gz	STSOXKSBFIRQNX-UHFFFAOYSA-N	0	2	243.223	-0.192	20	5		BBBDLN
CCONC(=O)CNc1ncc([N+](=O)[O-])cn1	ZINC000845716719	588242605	/nfs/dbraw/zinc/24/26/05/588242605.db2.gz	YYKNAOGHWJZHRK-UHFFFAOYSA-N	0	2	241.207	-0.136	20	5		BBBDLN
CCONC(=O)CNc1ccncc1[N+](=O)[O-]	ZINC000845718659	588242560	/nfs/dbraw/zinc/24/25/60/588242560.db2.gz	UFKJUNIMZGZHRD-UHFFFAOYSA-N	0	2	240.219	-0.109	20	5		BBBDLN
C[NH+]1CCC(ONC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000846651687	588281014	/nfs/dbraw/zinc/28/10/14/588281014.db2.gz	SMHOAZCBCVURNY-RKDXNWHRSA-N	0	2	243.263	-0.206	20	5		BBBDLN
Cc1nc(=NC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)[nH]1	ZINC000857177083	588891820	/nfs/dbraw/zinc/89/18/20/588891820.db2.gz	IPQIDTQXPBBFKB-PHDIDXHHSA-N	0	2	225.208	-0.851	20	5		BBBDLN
Cc1nc(=NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)[nH]1	ZINC000857177083	588891818	/nfs/dbraw/zinc/89/18/18/588891818.db2.gz	IPQIDTQXPBBFKB-PHDIDXHHSA-N	0	2	225.208	-0.851	20	5		BBBDLN
CN(Cc1n[nH]c(=O)o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000857291918	588904854	/nfs/dbraw/zinc/90/48/54/588904854.db2.gz	QSDZNDMTZXZNIL-RFZPGFLSSA-N	0	2	242.191	-0.601	20	5		BBBDLN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCn2ccnc21	ZINC000857905004	588922591	/nfs/dbraw/zinc/92/25/91/588922591.db2.gz	VEVFDLVEKUADHQ-RNFRBKRXSA-N	0	2	222.204	-0.105	20	5		BBBDLN
O=C(N=S1(=O)CCOCC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000891370900	582672897	/nfs/dbraw/zinc/67/28/97/582672897.db2.gz	IWANOPQNUNVHOT-RNFRBKRXSA-N	0	2	248.260	-0.324	20	5		BBBDLN
O=C(N=S1(=O)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000891370900	582672894	/nfs/dbraw/zinc/67/28/94/582672894.db2.gz	IWANOPQNUNVHOT-RNFRBKRXSA-N	0	2	248.260	-0.324	20	5		BBBDLN
CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000913533577	640389018	/nfs/dbraw/zinc/38/90/18/640389018.db2.gz	SLPKAAMKGOVJBX-UTINFBMNSA-N	0	2	239.275	-0.043	20	5		BBBDLN