smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCn1nccc1[N+](=O)[O-]	1606215915	973465898	/nfs/dbraw/zinc/46/58/98/973465898.db2.gz	GVLMRAMDLXGASU-UHFFFAOYSA-N	-1	0	185.139	0.266	20	5		ACBDRM
CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	204542394	566278878	/nfs/dbraw/zinc/27/88/78/566278878.db2.gz	QNPFXWIYIPBBAK-UHFFFAOYSA-N	-1	0	196.162	0.660	20	5		ACBDRM
Cc1nc(C(=O)[O-])cn1CC[N+](=O)[O-]	1607949562	1170796448	/nfs/dbraw/zinc/79/64/48/1170796448.db2.gz	RGACWHDCHFORGS-UHFFFAOYSA-N	-1	0	199.166	0.166	20	5		ACBDRM
C[C@@H](CSCC[N+](=O)[O-])C(=O)[O-]	1592826022	979548764	/nfs/dbraw/zinc/54/87/64/979548764.db2.gz	SQMJAEOYPYVXNJ-YFKPBYRVSA-N	-1	0	193.224	0.717	20	5		ACBDRM
C[C@H](CSCC[N+](=O)[O-])C(=O)[O-]	1592826021	979548834	/nfs/dbraw/zinc/54/88/34/979548834.db2.gz	SQMJAEOYPYVXNJ-RXMQYKEDSA-N	-1	0	193.224	0.717	20	5		ACBDRM
O=C([O-])c1cc([N+](=O)[O-])no1	82405787	573608577	/nfs/dbraw/zinc/60/85/77/573608577.db2.gz	SANPGSSGLHLKAQ-UHFFFAOYSA-N	-1	0	158.069	0.281	20	5		ACBDRM
CC(C)O[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	839784562	582796303	/nfs/dbraw/zinc/79/63/03/582796303.db2.gz	XICYSNJMBXOXPD-PHDIDXHHSA-N	-1	0	188.183	0.108	20	5		ACBDRM
CCCO[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	844089992	583139025	/nfs/dbraw/zinc/13/90/25/583139025.db2.gz	CUCRYRVEUXNOCY-PHDIDXHHSA-N	-1	0	188.183	0.109	20	5		ACBDRM
O=C([O-])CNc1cccnc1[N+](=O)[O-]	307101782	597138965	/nfs/dbraw/zinc/13/89/65/597138965.db2.gz	VNCVLOPEGKNGPI-UHFFFAOYSA-N	-1	0	197.150	0.486	20	5		ACBDRM
CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	133119833	343912024	/nfs/dbraw/zinc/91/20/24/343912024.db2.gz	TULCDKDKQSRFPH-UHFFFAOYSA-N	-1	0	196.162	0.660	20	5		ACBDRM
CC(=O)c1cc(C(=O)[O-])[nH]c1[N+](=O)[O-]	82162664	166316830	/nfs/dbraw/zinc/31/68/30/166316830.db2.gz	JGZPQCFNNYZOAV-UHFFFAOYSA-N	-1	0	198.134	0.824	20	5		ACBDRM
NC(=O)c1c([O-])cccc1[N+](=O)[O-]	168027157	169163740	/nfs/dbraw/zinc/16/37/40/169163740.db2.gz	QMKUYGZFFLTBHK-UHFFFAOYSA-N	-1	0	182.135	0.399	20	5		ACBDRM
Nc1cc(C(=O)[O-])c([N+](=O)[O-])cn1	39377295	169285348	/nfs/dbraw/zinc/28/53/48/169285348.db2.gz	DCHWNCQMEJONFH-UHFFFAOYSA-N	-1	0	183.123	0.270	20	5		ACBDRM
Nc1cc(O)c(C(=O)[O-])cc1[N+](=O)[O-]	39084555	169287288	/nfs/dbraw/zinc/28/72/88/169287288.db2.gz	OXSQGWPEUHGSSM-UHFFFAOYSA-N	-1	0	198.134	0.581	20	5		ACBDRM
Nc1cc([N+](=O)[O-])ccc1CC(=O)[O-]	238694198	169288371	/nfs/dbraw/zinc/28/83/71/169288371.db2.gz	CQIXWYFAMHIUPV-UHFFFAOYSA-N	-1	0	196.162	0.804	20	5		ACBDRM
Nc1cc([N+](=O)[O-])cc(C(=O)[O-])c1N	37637712	169289063	/nfs/dbraw/zinc/28/90/63/169289063.db2.gz	VYSNGNBMJHEJBV-UHFFFAOYSA-N	-1	0	197.150	0.457	20	5		ACBDRM
Nc1cccc([O-])c1[N+](=O)[O-]	39135221	169296832	/nfs/dbraw/zinc/29/68/32/169296832.db2.gz	BLCZXLGRKKRKJJ-UHFFFAOYSA-N	-1	0	154.125	0.883	20	5		ACBDRM
O=C([O-])CCCn1cnc([N+](=O)[O-])c1	19481743	169338552	/nfs/dbraw/zinc/33/85/52/169338552.db2.gz	GSXDMLXUAASESD-UHFFFAOYSA-N	-1	0	199.166	0.656	20	5		ACBDRM
O=C([O-])Cc1ccncc1[N+](=O)[O-]	140659886	169344107	/nfs/dbraw/zinc/34/41/07/169344107.db2.gz	OKDGVHAYMKJHGP-UHFFFAOYSA-N	-1	0	182.135	0.617	20	5		ACBDRM
O=C([O-])c1cc([N+](=O)[O-])on1	82405786	169356216	/nfs/dbraw/zinc/35/62/16/169356216.db2.gz	KHXVRVDRXAAQFA-UHFFFAOYSA-N	-1	0	158.069	0.281	20	5		ACBDRM
O=C([O-])CNc1ccc([N+](=O)[O-])nc1	19868552	171036024	/nfs/dbraw/zinc/03/60/24/171036024.db2.gz	KZHNBBUEJQIRJN-UHFFFAOYSA-N	-1	0	197.150	0.486	20	5		ACBDRM
O=[N+]([O-])c1ncc(Cl)[n-]1	95935696	171140728	/nfs/dbraw/zinc/14/07/28/171140728.db2.gz	NYRMOYGIWWDUBA-UHFFFAOYSA-N	-1	0	147.521	0.971	20	5		ACBDRM
O=c1[n-]cnc(Cl)c1[N+](=O)[O-]	17300083	171223349	/nfs/dbraw/zinc/22/33/49/171223349.db2.gz	MXCCPRWUTGSJRR-UHFFFAOYSA-N	-1	0	175.531	0.744	20	5		ACBDRM
Nc1cccc([N+](=O)[O-])c1CC(=O)[O-]	238626186	344816490	/nfs/dbraw/zinc/81/64/90/344816490.db2.gz	JVYKFUSIZNWWFB-UHFFFAOYSA-N	-1	0	196.162	0.804	20	5		ACBDRM
Cc1[n-][nH]c(=O)c1[N+](=O)[O-]	4772130	342995213	/nfs/dbraw/zinc/99/52/13/342995213.db2.gz	KUWHDICGEHGNFM-UHFFFAOYSA-N	-1	0	143.102	0.332	20	5	in-vitro	ACBDRM
NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	14492539	343039138	/nfs/dbraw/zinc/03/91/38/343039138.db2.gz	ZRSSXZYQEVYUAZ-UHFFFAOYSA-N	-1	0	182.135	0.399	20	5		ACBDRM
Nc1ccc([N+](=O)[O-])cc1CC(=O)[O-]	34562716	343121865	/nfs/dbraw/zinc/12/18/65/343121865.db2.gz	RWQFWOAEWOFKES-UHFFFAOYSA-N	-1	0	196.162	0.804	20	5		ACBDRM
Cc1[nH]c(=O)c([N+](=O)[O-])c([O-])c1C	38857505	343191477	/nfs/dbraw/zinc/19/14/77/343191477.db2.gz	ZGHUDFKJBIXWMP-UHFFFAOYSA-N	-1	0	184.151	0.606	20	5		ACBDRM
NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	116924646	343771330	/nfs/dbraw/zinc/77/13/30/343771330.db2.gz	PHNKKIPDPXJKPK-UHFFFAOYSA-N	-1	0	182.135	0.399	20	5		ACBDRM
NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	143992404	344023304	/nfs/dbraw/zinc/02/33/04/344023304.db2.gz	UDOVIEGERBRADX-UHFFFAOYSA-N	-1	0	182.135	0.399	20	5		ACBDRM
COc1c[nH]c(=O)c([N+](=O)[O-])c1	144994840	344030937	/nfs/dbraw/zinc/03/09/37/344030937.db2.gz	HXSZUDACJQPBEZ-UHFFFAOYSA-N	-1	0	170.124	0.292	20	5		ACBDRM
O=C([O-])CCCn1nccc1[N+](=O)[O-]	592453630	346831994	/nfs/dbraw/zinc/83/19/94/346831994.db2.gz	VHGYWPCWNYBPCH-UHFFFAOYSA-N	-1	0	199.166	0.656	20	5		ACBDRM
O=c1cccc([N+](=O)[O-])[n-]1	90367551	351665012	/nfs/dbraw/zinc/66/50/12/351665012.db2.gz	XVVDYCAYALHWBJ-UHFFFAOYSA-N	-1	0	140.098	0.283	20	5		ACBDRM
O=c1cn[n-]c2c([N+](=O)[O-])cccc12	169648498	351770561	/nfs/dbraw/zinc/77/05/61/351770561.db2.gz	QLSUXCMASTWZQP-UHFFFAOYSA-N	-1	0	191.146	0.831	20	5		ACBDRM
Nc1c(CC(=O)[O-])cccc1[N+](=O)[O-]	238662010	351823662	/nfs/dbraw/zinc/82/36/62/351823662.db2.gz	ANIIXRNIDWMSDG-UHFFFAOYSA-N	-1	0	196.162	0.804	20	5		ACBDRM
COc1c(C(=O)[O-])cncc1[N+](=O)[O-]	575442375	352206218	/nfs/dbraw/zinc/20/62/18/352206218.db2.gz	XDWLCHCIRIYKQA-UHFFFAOYSA-N	-1	0	198.134	0.697	20	5		ACBDRM
O=C([O-])Cc1ccc([N+](=O)[O-])cc1O	82725998	537885067	/nfs/dbraw/zinc/88/50/67/537885067.db2.gz	CTTYVUAQIUJFTK-UHFFFAOYSA-N	-1	0	197.146	0.928	20	5		ACBDRM
Cc1cc([N+](=O)[O-])ncc1C(=O)[O-]	306713811	538308579	/nfs/dbraw/zinc/30/85/79/538308579.db2.gz	DKRCHTFVVVZVOQ-UHFFFAOYSA-N	-1	0	182.135	0.996	20	5		ACBDRM
O=C([O-])CCCn1ccnc1[N+](=O)[O-]	36459503	948815781	/nfs/dbraw/zinc/81/57/81/948815781.db2.gz	CSHWNZCSZRVMBP-UHFFFAOYSA-N	-1	0	199.166	0.656	20	5		ACBDRM