smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000020003107	567125006	/nfs/dbraw/zinc/12/50/06/567125006.db2.gz	KOWAYRHXBWYGIN-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
Cc1ccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1C	ZINC000021790683	171323651	/nfs/dbraw/zinc/32/36/51/171323651.db2.gz	HUXNCTBKQSHSJW-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
O=C([O-])c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1	ZINC000070462654	567119941	/nfs/dbraw/zinc/11/99/41/567119941.db2.gz	ZEADUCNHALENON-UHFFFAOYSA-N	-1	0	298.726	3.691	40	5		CHBBRM
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1	ZINC000021507553	567141867	/nfs/dbraw/zinc/14/18/67/567141867.db2.gz	GHZXEWSULHYAJC-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
CCc1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000021815093	171331836	/nfs/dbraw/zinc/33/18/36/171331836.db2.gz	LJLVTNOKXFXHCL-UHFFFAOYSA-N	-1	0	286.287	3.599	40	5		CHBBRM
O=C([O-])c1sc2c(c1Cl)c(Cl)ccc2[N+](=O)[O-]	ZINC000228961444	567182725	/nfs/dbraw/zinc/18/27/25/567182725.db2.gz	OVZIEVBLSZVCJH-UHFFFAOYSA-N	-1	0	292.099	3.815	40	5		CHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccccc1Cl	ZINC000021807206	171327991	/nfs/dbraw/zinc/32/79/91/171327991.db2.gz	ZFVSCXQYNWNTFM-UHFFFAOYSA-N	-1	0	292.678	3.690	40	5		CHBBRM
O=[N+]([O-])c1cc(Cl)cc(Cc2ccccc2)c1[O-]	ZINC000057352722	567154582	/nfs/dbraw/zinc/15/45/82/567154582.db2.gz	UUSXPOKEASOMNW-UHFFFAOYSA-N	-1	0	263.680	3.545	40	5		CHBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1Sc1ccsc1	ZINC000001701380	566947436	/nfs/dbraw/zinc/94/74/36/566947436.db2.gz	AWKIACKIVBVARX-UHFFFAOYSA-N	-1	0	281.314	3.506	40	5		CHBBRM
O=C([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)CCc1ccccc1	ZINC000001748139	566956943	/nfs/dbraw/zinc/95/69/43/566956943.db2.gz	PWGUASFROBOVCP-QINSGFPZSA-N	-1	0	297.310	3.696	40	5		CHBBRM
Cc1cc([N+](=O)[O-])c(-c2ccc(C(=O)[O-])o2)cc1Cl	ZINC000040541567	174322516	/nfs/dbraw/zinc/32/25/16/174322516.db2.gz	KONHGWJIOSIAPC-UHFFFAOYSA-N	-1	0	281.651	3.515	40	5		CHBBRM
O=C([O-])c1ccccc1Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000021984105	171344631	/nfs/dbraw/zinc/34/46/31/171344631.db2.gz	GBBIOGPNJFKJOD-UHFFFAOYSA-N	-1	0	292.678	3.690	40	5		CHBBRM
CCCCOc1c(C(=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000225284587	1125474437	/nfs/dbraw/zinc/47/44/37/1125474437.db2.gz	WHRDCJJZSUYPPK-UHFFFAOYSA-N	-1	0	295.335	3.769	40	5		CHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1SCc1ccccc1	ZINC000005900583	170152449	/nfs/dbraw/zinc/15/24/49/170152449.db2.gz	UPOHGQZKDYWKTH-UHFFFAOYSA-N	-1	0	289.312	3.585	40	5		CHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1	ZINC000021803282	567906614	/nfs/dbraw/zinc/90/66/14/567906614.db2.gz	SSBAABVBRAEDQM-UHFFFAOYSA-N	-1	0	292.678	3.690	40	5		CHBBRM
COc1ccc2nc3cc(Cl)ccc3c(C(=O)[O-])c2c1	ZINC000228973924	1128180462	/nfs/dbraw/zinc/18/04/62/1128180462.db2.gz	HXDYFDNVWAYRAE-UHFFFAOYSA-N	-1	0	287.702	3.748	40	5		CHBBRM
O=C([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000004294424	567191844	/nfs/dbraw/zinc/19/18/44/567191844.db2.gz	HJYSVJANLULBOJ-ZZXKWVIFSA-N	-1	0	293.662	3.606	40	5		CHBBRM
O=[N+]([O-])c1ccc(COC(=S)[N-]c2ccccc2)cc1	ZINC000016490093	566969383	/nfs/dbraw/zinc/96/93/83/566969383.db2.gz	OLRNMTWIIMVOKX-UHFFFAOYSA-N	-1	0	288.328	3.508	40	5		CHBBRM
CCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)[O-])o1	ZINC000226314942	1120018631	/nfs/dbraw/zinc/01/86/31/1120018631.db2.gz	CTQYKACRGSJVSM-VMPITWQZSA-N	-1	0	287.271	3.515	40	5		CHBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1Oc1ccccc1Cl	ZINC000070231985	567930237	/nfs/dbraw/zinc/93/02/37/567930237.db2.gz	FFLFTGUYYWDEOO-UHFFFAOYSA-N	-1	0	293.662	3.739	40	5		CHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1	ZINC000001714710	169748551	/nfs/dbraw/zinc/74/85/51/169748551.db2.gz	JVZJSZHIHXGAHD-UHFFFAOYSA-N	-1	0	293.662	3.739	40	5		CHBBRM
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1C	ZINC000021800831	171325710	/nfs/dbraw/zinc/32/57/10/171325710.db2.gz	FFQZOHJTHYBMAS-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
O=C([O-])/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000004294423	567192220	/nfs/dbraw/zinc/19/22/20/567192220.db2.gz	RWFGIUMZZOAJRM-ZZXKWVIFSA-N	-1	0	293.662	3.606	40	5		CHBBRM
O=C([O-])c1c2ccccc2nc2cc(Cl)ccc21	ZINC000039299357	1119315739	/nfs/dbraw/zinc/31/57/39/1119315739.db2.gz	MGPYAGVLXOWEJV-UHFFFAOYSA-N	-1	0	257.676	3.740	40	5		CHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1cccc(Cl)c1	ZINC000021507631	567140855	/nfs/dbraw/zinc/14/08/55/567140855.db2.gz	VKMACULPVPSOKA-UHFFFAOYSA-N	-1	0	292.678	3.690	40	5		CHBBRM
COc1cc(CCC(=O)[O-])c2cc3ccccc3cc2c1O	ZINC000001658611	570317278	/nfs/dbraw/zinc/31/72/78/570317278.db2.gz	IUTRRFLRZUNJIL-UHFFFAOYSA-N	-1	0	296.322	3.724	40	5		CHBBRM
CC(C)COc1c(C(=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]	ZINC000225284631	189746122	/nfs/dbraw/zinc/74/61/22/189746122.db2.gz	SFOIQKYGKFRLCK-UHFFFAOYSA-N	-1	0	295.335	3.625	40	5		CHBBRM
Cc1cccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1	ZINC000005181872	170073862	/nfs/dbraw/zinc/07/38/62/170073862.db2.gz	QMLMIJKUDLZSBY-XNTDXEJSSA-N	-1	0	283.283	3.528	40	5		CHBBRM
Cc1ccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1	ZINC000005181814	170074090	/nfs/dbraw/zinc/07/40/90/170074090.db2.gz	GRTMODVOMTUGFW-XNTDXEJSSA-N	-1	0	283.283	3.528	40	5		CHBBRM
O=C([O-])c1ccc(Nc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000021788994	171323273	/nfs/dbraw/zinc/32/32/73/171323273.db2.gz	FINWFXICXTWSAE-UHFFFAOYSA-N	-1	0	292.678	3.690	40	5		CHBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCC1=CCCCC1	ZINC000218480842	1131171196	/nfs/dbraw/zinc/17/11/96/1131171196.db2.gz	LLRKGDDONRKQGU-UHFFFAOYSA-N	-1	0	290.319	3.595	40	5		CHBBRM
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)CCc1ccccc1	ZINC000005181885	170074176	/nfs/dbraw/zinc/07/41/76/170074176.db2.gz	PWGUASFROBOVCP-NTCAYCPXSA-N	-1	0	297.310	3.696	40	5		CHBBRM
O=[N+]([O-])c1cc(-c2ccccc2C(F)F)ccc1[O-]	ZINC000575629334	570350423	/nfs/dbraw/zinc/35/04/23/570350423.db2.gz	QTDXRZSXEJAXSU-UHFFFAOYSA-N	-1	0	265.215	3.905	40	5		CHBBRM
Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1C	ZINC000020547545	171245021	/nfs/dbraw/zinc/24/50/21/171245021.db2.gz	LISFFUMHLJUBAR-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000021011349	171287332	/nfs/dbraw/zinc/28/73/32/171287332.db2.gz	NJEZEWIRHXSMQK-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
O=C([O-])C12CC(c3c4ccccc4nc4ccccc43)(C1)C2	ZINC000575624083	1120077551	/nfs/dbraw/zinc/07/75/51/1120077551.db2.gz	CFLMXKCSPOTAAM-UHFFFAOYSA-N	-1	0	289.334	3.894	40	5		CHBBRM
CC(C)c1nc2c(o1)c1ccccc1c([O-])c2[N+](=O)[O-]	ZINC000085409614	179056734	/nfs/dbraw/zinc/05/67/34/179056734.db2.gz	XQHJGNAVPVAZIP-UHFFFAOYSA-N	-1	0	272.260	3.718	40	5		CHBBRM
O=C([O-])c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1	ZINC000021040767	171293510	/nfs/dbraw/zinc/29/35/10/171293510.db2.gz	FZZNKRHCHRESFQ-UHFFFAOYSA-N	-1	0	292.678	3.690	40	5		CHBBRM
CCc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000021813954	171331190	/nfs/dbraw/zinc/33/11/90/171331190.db2.gz	KTTKEUJRPBWASX-UHFFFAOYSA-N	-1	0	286.287	3.599	40	5		CHBBRM
Cc1cccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1	ZINC000001748110	566956552	/nfs/dbraw/zinc/95/65/52/566956552.db2.gz	QMLMIJKUDLZSBY-GDNBJRDFSA-N	-1	0	283.283	3.528	40	5		CHBBRM
CCc1cccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000001711052	570349450	/nfs/dbraw/zinc/34/94/50/570349450.db2.gz	LSKQYSLETZEAFQ-UHFFFAOYSA-N	-1	0	287.271	3.648	40	5		CHBBRM
O=[N+]([O-])c1cc(Cl)c([O-])c(Cc2ccccc2)c1	ZINC000057352724	175593820	/nfs/dbraw/zinc/59/38/20/175593820.db2.gz	XYDIDOQLRKZTQI-UHFFFAOYSA-N	-1	0	263.680	3.545	40	5		CHBBRM
O=C([O-])c1ccccc1-c1ccc([N+](=O)[O-])cc1Cl	ZINC000001719579	169749952	/nfs/dbraw/zinc/74/99/52/169749952.db2.gz	IYCATCVOBXQDBX-UHFFFAOYSA-N	-1	0	277.663	3.613	40	5		CHBBRM
Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000020566409	171254739	/nfs/dbraw/zinc/25/47/39/171254739.db2.gz	FMZHMYAFGDQMCG-UHFFFAOYSA-N	-1	0	286.287	3.653	40	5		CHBBRM
Cc1ccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1	ZINC000001746877	169753988	/nfs/dbraw/zinc/75/39/88/169753988.db2.gz	GRTMODVOMTUGFW-GDNBJRDFSA-N	-1	0	283.283	3.528	40	5		CHBBRM