smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])C1CCOC1	84307901	537907547	/nfs/dbraw/zinc/90/75/47/537907547.db2.gz	PVFMRQLZRAMTQL-BYPYZUCNSA-N	0	1	117.104	0.052	50	5		ACBAMN
O=[N+]([O-])C1CCOC1	84307898	537907879	/nfs/dbraw/zinc/90/78/79/537907879.db2.gz	PVFMRQLZRAMTQL-SCSAIBSYSA-N	0	1	117.104	0.052	50	5		ACBAMN
CN1CCC(=C[N+](=O)[O-])CC1	198020177	538182707	/nfs/dbraw/zinc/18/27/07/538182707.db2.gz	VTFBXJOHCHWVTC-UHFFFAOYSA-N	0	1	156.185	0.873	50	5		ACBAMN
Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1	4343484	342991073	/nfs/dbraw/zinc/99/10/73/342991073.db2.gz	MGUZJNXSLXRCLT-UHFFFAOYSA-N	0	1	172.100	0.535	50	5		ACBAMN
Cc1cnc(NN)c([N+](=O)[O-])c1	12471852	343031426	/nfs/dbraw/zinc/03/14/26/343031426.db2.gz	XDMWWISPNLFVGD-UHFFFAOYSA-N	0	1	168.156	0.584	50	5	in-vitro	ACBAMN
C[C@H]([C@H](O)C(F)F)[N+](=O)[O-]	36458675	343145885	/nfs/dbraw/zinc/14/58/85/343145885.db2.gz	BJDXAXMDSACXOY-GBXIJSLDSA-N	0	1	155.100	0.278	50	5		ACBAMN
CCOC(=O)Cc1[nH]ncc1[N+](=O)[O-]	34927097	167339886	/nfs/dbraw/zinc/33/98/86/167339886.db2.gz	PPPBSCSECSYZFK-UHFFFAOYSA-N	0	1	199.166	0.424	50	5		ACBAMN
COC(=O)c1c[nH]cc([N+](=O)[O-])c1=O	47202400	168135357	/nfs/dbraw/zinc/13/53/57/168135357.db2.gz	KRJYDSXOTMFXQV-UHFFFAOYSA-N	0	1	198.134	0.482	50	5	in-vitro	ACBAMN
COc1ccc([N+](=O)[O-])c(=O)[nH]1	5285616	168260843	/nfs/dbraw/zinc/26/08/43/168260843.db2.gz	RYLKVLKLMVFOBM-UHFFFAOYSA-N	0	1	170.124	0.292	50	5		ACBAMN
C[C@@H](CN(C)C)[N+](=O)[O-]	39077972	168341009	/nfs/dbraw/zinc/34/10/09/168341009.db2.gz	DXZMDABJBOTWTA-YFKPBYRVSA-N	0	1	132.163	0.213	50	5	in-vitro	ACBAMN
Cn1ccc2nc(=O)[nH]c-2c1[N+](=O)[O-]	520553	169048719	/nfs/dbraw/zinc/04/87/19/169048719.db2.gz	SRPVBDNRXJKFSX-UHFFFAOYSA-N	0	1	194.150	0.121	50	5		ACBAMN
NCc1ccc([N+](=O)[O-])o1	37184011	169223333	/nfs/dbraw/zinc/22/33/33/169223333.db2.gz	IQVPHXCRBFPVQJ-UHFFFAOYSA-N	0	1	142.114	0.647	50	5	in-vitro	ACBAMN
NCc1nc2cc([N+](=O)[O-])ccc2[nH]1	22262372	169228909	/nfs/dbraw/zinc/22/89/09/169228909.db2.gz	BRGDBWNIKSYHTD-UHFFFAOYSA-N	0	1	192.178	0.930	50	5	in-vitro	ACBAMN
NCc1ncccc1[N+](=O)[O-]	59823055	169231751	/nfs/dbraw/zinc/23/17/51/169231751.db2.gz	CCSXJBGBEXZUAD-UHFFFAOYSA-N	0	1	153.141	0.449	50	5	in-vitro	ACBAMN
Nc1cc(O)ccc1[N+](=O)[O-]	39135218	169286766	/nfs/dbraw/zinc/28/67/66/169286766.db2.gz	WGEZJWMZNGUEHR-UHFFFAOYSA-N	0	1	154.125	0.883	50	5	in-vitro	ACBAMN
Nc1nc(Cl)c([N+](=O)[O-])c(=O)[nH]1	15021789	169305509	/nfs/dbraw/zinc/30/55/09/169305509.db2.gz	UTTPUMOOQSNOHH-UHFFFAOYSA-N	0	1	190.546	0.326	50	5	in-vitro	ACBAMN
O=C1NC(=O)c2c1cccc2[N+](=O)[O-]	6863552	169384776	/nfs/dbraw/zinc/38/47/76/169384776.db2.gz	BONIIQYTWOPUQI-UHFFFAOYSA-N	0	1	192.130	0.478	50	5	in-vitro	ACBAMN
O=[N+]([O-])c1cnc2c(c1)CCNC2	95642442	169415067	/nfs/dbraw/zinc/41/50/67/169415067.db2.gz	QJKGWLHMWFVSND-UHFFFAOYSA-N	0	1	179.179	0.636	50	5		ACBAMN
O=c1[nH]cc([N+](=O)[O-])cc1F	38537036	169417772	/nfs/dbraw/zinc/41/77/72/169417772.db2.gz	WKCYGBXTZFFWMY-UHFFFAOYSA-N	0	1	158.088	0.422	50	5	in-vitro	ACBAMN
NCC(=O)Nc1ccc([N+](=O)[O-])cc1	4181880	171011207	/nfs/dbraw/zinc/01/12/07/171011207.db2.gz	VZZMNSJSZXVCCW-UHFFFAOYSA-N	0	1	195.178	0.492	50	5	in-vitro	ACBAMN
NCC(=O)Nc1ccccc1[N+](=O)[O-]	6095379	171019402	/nfs/dbraw/zinc/01/94/02/171019402.db2.gz	YLOOYNJUAMLMAA-UHFFFAOYSA-N	0	1	195.178	0.492	50	5	in-vitro	ACBAMN
NC1(c2cccc([N+](=O)[O-])c2)COC1	95630852	171136478	/nfs/dbraw/zinc/13/64/78/171136478.db2.gz	SFNGYCGXEXXQOK-UHFFFAOYSA-N	0	1	194.190	0.779	50	5		ACBAMN
NC(=O)c1ccc(O)cc1[N+](=O)[O-]	117417956	171155873	/nfs/dbraw/zinc/15/58/73/171155873.db2.gz	TZZJNCZYQPXOEI-UHFFFAOYSA-N	0	1	182.135	0.399	50	5	in-vitro	ACBAMN
O=[N+]([O-])c1[nH]cnc1N1CCCC1	8694826	171199375	/nfs/dbraw/zinc/19/93/75/171199375.db2.gz	CDPJLMREXVXPNY-UHFFFAOYSA-N	0	1	182.183	0.918	50	5		ACBAMN
CNC(=O)c1cc(O)cc([N+](=O)[O-])c1	231416040	344653026	/nfs/dbraw/zinc/65/30/26/344653026.db2.gz	XRTOPLBWRSNQLH-UHFFFAOYSA-N	0	1	196.162	0.660	50	5		ACBAMN
CC1=Cn2c(C)nc([N+](=O)[O-])c2NN1	4074240	342987183	/nfs/dbraw/zinc/98/71/83/342987183.db2.gz	VDXQWTGSSPTYAJ-UHFFFAOYSA-N	0	1	195.182	0.901	50	5		ACBAMN
CN(C)c1nc[nH]c1[N+](=O)[O-]	4468972	342991733	/nfs/dbraw/zinc/99/17/33/342991733.db2.gz	MKHGGNYLDNUTSB-UHFFFAOYSA-N	0	1	156.145	0.384	50	5		ACBAMN
Cc1[nH]nc(-n2cncn2)c1[N+](=O)[O-]	4730287	342994492	/nfs/dbraw/zinc/99/44/92/342994492.db2.gz	VHRQXEWPDXNPIX-UHFFFAOYSA-N	0	1	194.154	0.207	50	5		ACBAMN
Cc1cc(O)c([N+](=O)[O-])c(=O)[nH]1	16267815	343043585	/nfs/dbraw/zinc/04/35/85/343043585.db2.gz	QIKWTNPFTOEELW-UHFFFAOYSA-N	0	1	170.124	0.297	50	5	in-vitro	ACBAMN
Cc1ccc([N+](=O)[O-])c(NN)n1	34100875	343110519	/nfs/dbraw/zinc/11/05/19/343110519.db2.gz	OSIVZMJNWFJJPP-UHFFFAOYSA-N	0	1	168.156	0.584	50	5		ACBAMN
C[C@H]([C@@H](O)C(F)F)[N+](=O)[O-]	47844263	343273118	/nfs/dbraw/zinc/27/31/18/343273118.db2.gz	BJDXAXMDSACXOY-PWNYCUMCSA-N	0	1	155.100	0.278	50	5		ACBAMN
CCOC(=O)[C@H]1CC1[N+](=O)[O-]	238269224	344798020	/nfs/dbraw/zinc/79/80/20/344798020.db2.gz	XYGGYQYMJUQDKO-CRCLSJGQSA-N	0	1	159.141	0.215	50	5		ACBAMN
CCOC(=O)[C@H]1CC1[N+](=O)[O-]	238267869	344798152	/nfs/dbraw/zinc/79/81/52/344798152.db2.gz	XYGGYQYMJUQDKO-WHFBIAKZSA-N	0	1	159.141	0.215	50	5		ACBAMN
CCOC(=O)[C@@H]1CC1[N+](=O)[O-]	238796459	344822346	/nfs/dbraw/zinc/82/23/46/344822346.db2.gz	XYGGYQYMJUQDKO-RFZPGFLSSA-N	0	1	159.141	0.215	50	5		ACBAMN
CCOC(=O)[C@@H]1CC1[N+](=O)[O-]	238796318	344822435	/nfs/dbraw/zinc/82/24/35/344822435.db2.gz	XYGGYQYMJUQDKO-UHNVWZDZSA-N	0	1	159.141	0.215	50	5		ACBAMN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])o2)o1	2038879	351302438	/nfs/dbraw/zinc/30/24/38/351302438.db2.gz	OWDANLZJJOCPBK-UHFFFAOYSA-N	0	1	197.106	0.943	50	5		ACBAMN
O=c1[nH]cc(Cl)cc1[N+](=O)[O-]	4262645	351326840	/nfs/dbraw/zinc/32/68/40/351326840.db2.gz	QVGQNICXNZMXQA-UHFFFAOYSA-N	0	1	174.543	0.937	50	5	in-vitro	ACBAMN
O=c1[n-]c2cccc[n+]2c2ncccc12	4629560	351330696	/nfs/dbraw/zinc/33/06/96/351330696.db2.gz	OEORDRHXNPLBAW-UHFFFAOYSA-O	0	1	198.205	0.662	50	5		ACBAMN
O=[N+]([O-])c1n[nH]c2ncnn12	4593310	351331105	/nfs/dbraw/zinc/33/11/05/351331105.db2.gz	AWCMXTWJKQDRDJ-GSVOUGTGSA-N	0	1	154.089	0.108	50	5		ACBAMN
O=[N+]([O-])c1n[nH]c2ncnn12	4593311	351331114	/nfs/dbraw/zinc/33/11/14/351331114.db2.gz	AWCMXTWJKQDRDJ-VKHMYHEASA-N	0	1	154.089	0.108	50	5		ACBAMN
O=c1[nH]cc(F)cc1[N+](=O)[O-]	8698153	351357527	/nfs/dbraw/zinc/35/75/27/351357527.db2.gz	BLFUHTOZIOQGBU-UHFFFAOYSA-N	0	1	158.088	0.422	50	5	in-vitro	ACBAMN
O=c1[nH]cc([N+](=O)[O-])cc1Cl	14982394	351375958	/nfs/dbraw/zinc/37/59/58/351375958.db2.gz	GTOXJMNILNYXLE-UHFFFAOYSA-N	0	1	174.543	0.937	50	5	in-vitro	ACBAMN
O=[N+]([O-])c1cncc(O)c1	14982959	351376184	/nfs/dbraw/zinc/37/61/84/351376184.db2.gz	GFNBWBJRTVNLMH-UHFFFAOYSA-N	0	1	140.098	0.695	50	5	in-vitro	ACBAMN
O=c1ncc([N+](=O)[O-])c[nH]1	17174457	351382823	/nfs/dbraw/zinc/38/28/23/351382823.db2.gz	ZNNRVSOVVLYQBV-UHFFFAOYSA-N	0	1	141.086	0.090	50	5	in-vitro	ACBAMN
O=[N+]([O-])c1cccc(CO)c1O	34772802	351445626	/nfs/dbraw/zinc/44/56/26/351445626.db2.gz	OKKDBJKYHHXINM-UHFFFAOYSA-N	0	1	169.136	0.793	50	5		ACBAMN
O=[N+]([O-])c1ccc(O)cc1CO	34772780	351445863	/nfs/dbraw/zinc/44/58/63/351445863.db2.gz	ODWVFIWBWJXDMT-UHFFFAOYSA-N	0	1	169.136	0.793	50	5	in-vitro	ACBAMN
C[C@H](CN(C)C)[N+](=O)[O-]	39077973	351489010	/nfs/dbraw/zinc/48/90/10/351489010.db2.gz	DXZMDABJBOTWTA-RXMQYKEDSA-N	0	1	132.163	0.213	50	5	in-vitro	ACBAMN
C[C@@H]([C@H](O)C(F)F)[N+](=O)[O-]	47844259	351546009	/nfs/dbraw/zinc/54/60/09/351546009.db2.gz	BJDXAXMDSACXOY-HRFVKAFMSA-N	0	1	155.100	0.278	50	5		ACBAMN
C[C@@H]([C@@H](O)C(F)F)[N+](=O)[O-]	47844261	351546335	/nfs/dbraw/zinc/54/63/35/351546335.db2.gz	BJDXAXMDSACXOY-STHAYSLISA-N	0	1	155.100	0.278	50	5		ACBAMN
O=[N+]([O-])c1cnc2nc[nH]c2c1	85224532	351652612	/nfs/dbraw/zinc/65/26/12/351652612.db2.gz	NYSTWXCATZYTAU-UHFFFAOYSA-N	0	1	164.124	0.866	50	5		ACBAMN
COC(=O)c1ccc([N+](=O)[O-])[nH]1	15446280	522177075	/nfs/dbraw/zinc/17/70/75/522177075.db2.gz	ROJHSLVRAQKAKW-UHFFFAOYSA-N	0	1	170.124	0.710	50	5		ACBAMN