smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOC(=O)c1ccc([N+](=O)[O-])[n-]1	35454971	572024576	/nfs/dbraw/zinc/02/45/76/572024576.db2.gz	CXRGTIPBKQMSKU-UHFFFAOYSA-N	-1	0	198.178	1.490	20	5		ADBDRM
Cc1cc([N+](=O)[O-])ccc1CC(=O)[O-]	35635942	343134989	/nfs/dbraw/zinc/13/49/89/343134989.db2.gz	HQNXIKNNGYPPSZ-UHFFFAOYSA-N	-1	0	195.174	1.530	20	5		ADBDRM
CC(=O)c1cc([O-])cc([N+](=O)[O-])c1	36447607	166319102	/nfs/dbraw/zinc/31/91/02/166319102.db2.gz	PHAJXVNQZLFROX-UHFFFAOYSA-N	-1	0	181.147	1.503	20	5		ADBDRM
CCc1ccc([N+](=O)[O-])cc1C(=O)[O-]	88077368	167745309	/nfs/dbraw/zinc/74/53/09/167745309.db2.gz	INGAGVLEDDEDMY-UHFFFAOYSA-N	-1	0	195.174	1.855	20	5		ADBDRM
CNc1cc([N+](=O)[O-])ccc1C(=O)[O-]	68575538	168065052	/nfs/dbraw/zinc/06/50/52/168065052.db2.gz	HADBFHYRFMHZMT-UHFFFAOYSA-N	-1	0	196.162	1.335	20	5		ADBDRM
COc1cc(C)cc([O-])c1[N+](=O)[O-]	95830373	168231354	/nfs/dbraw/zinc/23/13/54/168231354.db2.gz	AJVCZLVJSCBPDB-UHFFFAOYSA-N	-1	0	183.163	1.617	20	5		ADBDRM
O=C([O-])/C=C/c1cncc([N+](=O)[O-])c1	95882065	169334495	/nfs/dbraw/zinc/33/44/95/169334495.db2.gz	QOEHNZLJIFBRPG-OWOJBTEDSA-N	-1	0	194.146	1.088	20	5		ADBDRM
O=C([O-])c1ccc(NO)cc1[N+](=O)[O-]	98178797	169358213	/nfs/dbraw/zinc/35/82/13/169358213.db2.gz	RSJSVDBNCYNCTI-UHFFFAOYSA-N	-1	0	198.134	1.094	20	5		ADBDRM
O=C([O-])c1ccc(NO)c([N+](=O)[O-])c1	98178796	169358443	/nfs/dbraw/zinc/35/84/43/169358443.db2.gz	QUNIEGDOOHUSCA-UHFFFAOYSA-N	-1	0	198.134	1.094	20	5		ADBDRM
O=C1CCc2c1ccc([N+](=O)[O-])c2[O-]	39112314	169376720	/nfs/dbraw/zinc/37/67/20/169376720.db2.gz	SRGZONRVRLGAEH-UHFFFAOYSA-N	-1	0	193.158	1.429	20	5		ADBDRM
O=c1cc([N+](=O)[O-])cc2[n-][nH]cc1-2	14983077	171029066	/nfs/dbraw/zinc/02/90/66/171029066.db2.gz	FWVZVYOJGUIMCP-UHFFFAOYSA-N	-1	0	179.135	1.177	20	5		ADBDRM
O=c1c([N+](=O)[O-])c[n-]c2ccsc12	34102150	171053033	/nfs/dbraw/zinc/05/30/33/171053033.db2.gz	WWRBGVOLARSNJR-UHFFFAOYSA-N	-1	0	196.187	1.498	20	5		ADBDRM
O=[N+]([O-])c1c([O-])ccc2ncccc12	1513052	171213706	/nfs/dbraw/zinc/21/37/06/171213706.db2.gz	VNTMHRXHQYOVLK-UHFFFAOYSA-N	-1	0	190.158	1.849	20	5		ADBDRM
Cc1c([N+](=O)[O-])ccc(N)c1C(=O)[O-]	34516240	343120839	/nfs/dbraw/zinc/12/08/39/343120839.db2.gz	MLRJGGLSAKYLRT-UHFFFAOYSA-N	-1	0	196.162	1.184	20	5		ADBDRM
Cc1c(N)cc([N+](=O)[O-])cc1C(=O)[O-]	39084282	343197267	/nfs/dbraw/zinc/19/72/67/343197267.db2.gz	SWXFUNVQEOEVJH-UHFFFAOYSA-N	-1	0	196.162	1.184	20	5		ADBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(C)n1	39084293	343197420	/nfs/dbraw/zinc/19/74/20/343197420.db2.gz	BABXDFLBVMULOC-UHFFFAOYSA-N	-1	0	196.162	1.305	20	5		ADBDRM
Cc1cc(N)c([N+](=O)[O-])cc1C(=O)[O-]	39084211	343197430	/nfs/dbraw/zinc/19/74/30/343197430.db2.gz	LZOSVIDYBLUPFI-UHFFFAOYSA-N	-1	0	196.162	1.184	20	5		ADBDRM
O=Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	60088214	343350727	/nfs/dbraw/zinc/35/07/27/343350727.db2.gz	BXRTUCCEGAHNBJ-UHFFFAOYSA-N	-1	0	195.130	1.106	20	5		ADBDRM
Cc1cc([O-])c(F)cc1[N+](=O)[O-]	91364313	343677464	/nfs/dbraw/zinc/67/74/64/343677464.db2.gz	SPJZXYAUBGEMBX-UHFFFAOYSA-N	-1	0	171.127	1.748	20	5	in-vitro	ADBDRM
Cc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1	95763945	343687483	/nfs/dbraw/zinc/68/74/83/343687483.db2.gz	RMLXGMTUGWIFKP-UHFFFAOYSA-N	-1	0	195.174	1.530	20	5		ADBDRM
Cc1cc([O-])c([N+](=O)[O-])c(F)c1	95830368	343688150	/nfs/dbraw/zinc/68/81/50/343688150.db2.gz	KMTSWRQDQLLGLF-UHFFFAOYSA-N	-1	0	171.127	1.748	20	5		ADBDRM
Cc1ccc(F)c([N+](=O)[O-])c1[O-]	98177652	343706148	/nfs/dbraw/zinc/70/61/48/343706148.db2.gz	HZJIRMXUCZVKRV-UHFFFAOYSA-N	-1	0	171.127	1.748	20	5		ADBDRM
O=C([O-])c1ccsc1[N+](=O)[O-]	108265664	343750792	/nfs/dbraw/zinc/75/07/92/343750792.db2.gz	WSJWEEZBQNZQDL-UHFFFAOYSA-N	-1	0	173.149	1.355	20	5		ADBDRM
Cc1cc([N+](=O)[O-])c(N)cc1O	140049816	343997915	/nfs/dbraw/zinc/99/79/15/343997915.db2.gz	RYICSBHZVUJCBQ-UHFFFAOYSA-N	-1	0	168.152	1.191	20	5		ADBDRM
COc1ccc([N+](=O)[O-])cc1[S-]	147783236	344045409	/nfs/dbraw/zinc/04/54/09/344045409.db2.gz	FPLAJOTZESYVIN-UHFFFAOYSA-N	-1	0	185.204	1.892	20	5		ADBDRM
O=[N+]([O-])c1cc([O-])cnc1Cl	200283561	344362840	/nfs/dbraw/zinc/36/28/40/344362840.db2.gz	KGAPHPGFVZTAPP-UHFFFAOYSA-N	-1	0	174.543	1.349	20	5		ADBDRM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1F	201119138	344364333	/nfs/dbraw/zinc/36/43/33/344364333.db2.gz	BWJJUMLZJPARDV-UHFFFAOYSA-N	-1	0	199.137	1.741	20	5		ADBDRM
CC(=O)c1c(O)cccc1[N+](=O)[O-]	212897143	344380433	/nfs/dbraw/zinc/38/04/33/344380433.db2.gz	ZAHWYEVASLPDNX-UHFFFAOYSA-N	-1	0	181.147	1.503	20	5		ADBDRM
Cc1cc([N+](=O)[O-])c(F)cc1C(=O)[O-]	306723805	345574107	/nfs/dbraw/zinc/57/41/07/345574107.db2.gz	SSKFBMBDDWDANR-UHFFFAOYSA-N	-1	0	199.137	1.741	20	5		ADBDRM
O=Cc1c([O-])cccc1[N+](=O)[O-]	85344377	351653644	/nfs/dbraw/zinc/65/36/44/351653644.db2.gz	RYWYLFSBHZEAJD-UHFFFAOYSA-N	-1	0	167.120	1.113	20	5		ADBDRM
O=[N+]([O-])c1cnc(Cl)c([O-])c1	238704690	351824273	/nfs/dbraw/zinc/82/42/73/351824273.db2.gz	BYKXBXAUNITJPY-UHFFFAOYSA-N	-1	0	174.543	1.349	20	5		ADBDRM