smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(/C=C/C(=O)[O-])ccc(Cl)c1[N+](=O)[O-]	ZINC000396136192	344613542	/nfs/dbraw/zinc/61/35/42/344613542.db2.gz	KULLEMIADCHNIX-HWKANZROSA-N	-1	0	241.630	2.654	10	5		BFBERM
O=[N+]([O-])c1ccc([O-])cc1OCc1ccccc1	ZINC000036432134	350173237	/nfs/dbraw/zinc/17/32/37/350173237.db2.gz	ODMKDBZWWJLVIK-UHFFFAOYSA-N	-1	0	245.234	2.879	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc([S-])c1Cl	ZINC000306980550	351397296	/nfs/dbraw/zinc/39/72/96/351397296.db2.gz	PSHFWSHDJIVLON-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=[N+]([O-])c1cc([O-])cc(Cl)c1Cl	ZINC000306933161	351358714	/nfs/dbraw/zinc/35/87/14/351358714.db2.gz	FRORKAIRHPKZOL-UHFFFAOYSA-N	-1	0	208.000	2.607	10	5		BFBERM
Cc1ccc([S-])c(Cl)c1[N+](=O)[O-]	ZINC000307081961	351470503	/nfs/dbraw/zinc/47/05/03/351470503.db2.gz	PORDDRVQVFCEME-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1c([S-])ccc([N+](=O)[O-])c1Cl	ZINC000307110079	351481029	/nfs/dbraw/zinc/48/10/29/351481029.db2.gz	BMUIUGCHZMZNJB-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1c([S-])c([N+](=O)[O-])ccc1Br	ZINC000307167077	351535881	/nfs/dbraw/zinc/53/58/81/351535881.db2.gz	QOUAUYYJTPWDET-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
O=[N+]([O-])c1cc(-c2cccc(O)c2)ccc1[O-]	ZINC000095494864	188320675	/nfs/dbraw/zinc/32/06/75/188320675.db2.gz	PAFGHSDWMQQCOA-UHFFFAOYSA-N	-1	0	231.207	2.673	10	5		BFBERM
O=C([O-])c1ccc(Oc2ccccc2[N+](=O)[O-])o1	ZINC000050907709	182571177	/nfs/dbraw/zinc/57/11/77/182571177.db2.gz	NCYAFALDXGAQAC-UHFFFAOYSA-N	-1	0	249.178	2.678	10	5		BFBERM
Cc1cc(C(F)F)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000575672308	384467319	/nfs/dbraw/zinc/46/73/19/384467319.db2.gz	XVUJECRDPANGMQ-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1c(C(=O)[O-])c([N+](=O)[O-])ccc1C(F)(F)F	ZINC000575673763	387343425	/nfs/dbraw/zinc/34/34/25/387343425.db2.gz	NIYNCIVECNOWJD-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
COc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000095494883	175034066	/nfs/dbraw/zinc/03/40/66/175034066.db2.gz	YRXRPCOYGIWLSM-UHFFFAOYSA-N	-1	0	245.234	2.976	10	5		BFBERM
Cc1ccc([N+](=O)[O-])c(Cl)c1/C=C/C(=O)[O-]	ZINC000396136244	344613438	/nfs/dbraw/zinc/61/34/38/344613438.db2.gz	LIGMZQRQKUTJRJ-HWKANZROSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cccc2nc3cccc(C(=O)[O-])c3nc12	ZINC000004571544	179231614	/nfs/dbraw/zinc/23/16/14/179231614.db2.gz	JPRPEGGFLLPQJB-UHFFFAOYSA-N	-1	0	238.246	2.790	10	5		BFBERM
O=c1c2cc3ccccc3cc2[n-]cc1[N+](=O)[O-]	ZINC000196403965	347877012	/nfs/dbraw/zinc/87/70/12/347877012.db2.gz	UIUHOLYKNBAMKI-UHFFFAOYSA-N	-1	0	240.218	2.590	10	5		BFBERM
Cc1ccc([N+](=O)[O-])c(Br)c1[S-]	ZINC000307039470	351432804	/nfs/dbraw/zinc/43/28/04/351432804.db2.gz	JTOWDEXNQOFJGI-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(Br)cc1[S-]	ZINC000307328252	352024628	/nfs/dbraw/zinc/02/46/28/352024628.db2.gz	KDAHNNQZMROFOP-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
COc1ccccc1-c1cc([N+](=O)[O-])ccc1[O-]	ZINC000584611748	358275710	/nfs/dbraw/zinc/27/57/10/358275710.db2.gz	TXVQCVVPANAFEG-UHFFFAOYSA-N	-1	0	245.234	2.976	10	5		BFBERM
Cc1cc(Cl)c([N+](=O)[O-])cc1[S-]	ZINC000217605417	371984851	/nfs/dbraw/zinc/98/48/51/371984851.db2.gz	FPBWQFVDAROPCL-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=C([O-])C1(Cc2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000054632526	182422763	/nfs/dbraw/zinc/42/27/63/182422763.db2.gz	DRSXMFYUKHQDPJ-UHFFFAOYSA-N	-1	0	249.266	2.782	10	5		BFBERM
O=C([O-])c1ccc(-c2ccccc2)c([N+](=O)[O-])c1	ZINC000021950490	182562640	/nfs/dbraw/zinc/56/26/40/182562640.db2.gz	CDDCEBKBCZFLMP-UHFFFAOYSA-N	-1	0	243.218	2.960	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C(=O)[O-])cc1C(F)F	ZINC000575671326	387336025	/nfs/dbraw/zinc/33/60/25/387336025.db2.gz	IYHYPXLDYBLCJZ-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(=O)[O-])c(C(F)F)cc1[N+](=O)[O-]	ZINC000575670747	387336854	/nfs/dbraw/zinc/33/68/54/387336854.db2.gz	AZAQSOIEXJEBOW-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1C(F)F	ZINC000575672313	387338319	/nfs/dbraw/zinc/33/83/19/387338319.db2.gz	YCUHILRYOZMICE-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000575673586	387345079	/nfs/dbraw/zinc/34/50/79/387345079.db2.gz	KYDDCVWZGKDBKY-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
O=c1cc([O-])c2cc3ccccc3cc2o1	ZINC000165706428	343223736	/nfs/dbraw/zinc/22/37/36/343223736.db2.gz	LHBQCLZTFBOYKE-UHFFFAOYSA-N	-1	0	212.204	2.652	10	5		BFBERM
Cc1c([S-])cc(Cl)cc1[N+](=O)[O-]	ZINC000238550497	345076171	/nfs/dbraw/zinc/07/61/71/345076171.db2.gz	VZYVXKNADIGWKI-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1c(Cl)c([S-])ccc1[N+](=O)[O-]	ZINC000306761423	350985631	/nfs/dbraw/zinc/98/56/31/350985631.db2.gz	XCPMODGNVGCLHO-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
CC(C)(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000019801481	188003246	/nfs/dbraw/zinc/00/32/46/188003246.db2.gz	BUXLVYHCPFRRFR-UHFFFAOYSA-N	-1	0	223.228	2.591	10	5		BFBERM
O=C([O-])c1cccc2c3ccccc3oc(=O)c12	ZINC000082305513	182579646	/nfs/dbraw/zinc/57/96/46/182579646.db2.gz	HXCBTBVYKMZYNM-UHFFFAOYSA-N	-1	0	240.214	2.644	10	5		BFBERM
Cc1cc([S-])c([N+](=O)[O-])cc1Br	ZINC000306942123	385656847	/nfs/dbraw/zinc/65/68/47/385656847.db2.gz	RXMBSEFXKGGTCA-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1c(Cl)ccc([S-])c1[N+](=O)[O-]	ZINC000307658556	385967832	/nfs/dbraw/zinc/96/78/32/385967832.db2.gz	SJICFAUNPCYZNT-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1c(C(F)F)ccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575671255	387333253	/nfs/dbraw/zinc/33/32/53/387333253.db2.gz	HILDMSSTFVCXDM-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575673181	387338989	/nfs/dbraw/zinc/33/89/89/387338989.db2.gz	DACYFEJYEUYVJY-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1cc2nc3ccccc3nc2c(C(=O)[O-])c1	ZINC000034156113	177823234	/nfs/dbraw/zinc/82/32/34/177823234.db2.gz	QSZQLKUWRMAGGW-UHFFFAOYSA-N	-1	0	238.246	2.790	10	5		BFBERM
CC[C@](C)(Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000054633550	171695845	/nfs/dbraw/zinc/69/58/45/171695845.db2.gz	SXZXIPORXPVOMX-GFCCVEGCSA-N	-1	0	237.255	2.638	10	5		BFBERM
Cc1cc(Cl)cc([N+](=O)[O-])c1[S-]	ZINC000306693766	398174571	/nfs/dbraw/zinc/17/45/71/398174571.db2.gz	UDCIMHZHFSOREM-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=C([O-])c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000144710015	342934873	/nfs/dbraw/zinc/93/48/73/342934873.db2.gz	NYWWHEXPJFECTO-UHFFFAOYSA-N	-1	0	236.010	2.600	10	5		BFBERM
Cc1cc(/C=C/C(=O)[O-])c(Cl)cc1[N+](=O)[O-]	ZINC000396133996	344612207	/nfs/dbraw/zinc/61/22/07/344612207.db2.gz	BKDJSASJBPXSMQ-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1ccc([N+](=O)[O-])c(/C=C/C(=O)[O-])c1Cl	ZINC000396134841	344612794	/nfs/dbraw/zinc/61/27/94/344612794.db2.gz	GDXWKYSWPGQWJZ-HWKANZROSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(Cl)c1/C=C/C(=O)[O-]	ZINC000396135930	344613275	/nfs/dbraw/zinc/61/32/75/344613275.db2.gz	KDXARPVNTSAEMH-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc(Cl)c([N+](=O)[O-])cc1/C=C/C(=O)[O-]	ZINC000396135845	344613282	/nfs/dbraw/zinc/61/32/82/344613282.db2.gz	JKZTWHDIUKUTNB-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1c(Cl)c(/C=C/C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000396168381	344630489	/nfs/dbraw/zinc/63/04/89/344630489.db2.gz	RSFPUYUCTLOYIB-HWKANZROSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc(Br)c([S-])c([N+](=O)[O-])c1	ZINC000306711405	350871801	/nfs/dbraw/zinc/87/18/01/350871801.db2.gz	XSKTZFXRSPZANL-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1c([S-])ccc([N+](=O)[O-])c1Br	ZINC000306849824	351159121	/nfs/dbraw/zinc/15/91/21/351159121.db2.gz	NRKQDDIMPNIXOV-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1c([S-])ccc(Cl)c1[N+](=O)[O-]	ZINC000307527521	352634835	/nfs/dbraw/zinc/63/48/35/352634835.db2.gz	JLLSNVTZMYEXLK-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(C(F)F)c1	ZINC000575672144	384464776	/nfs/dbraw/zinc/46/47/76/384464776.db2.gz	QUWCYQWVTLEEPE-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
O=C([O-])c1cc2c(ccc3cccnc32)cc1O	ZINC000098179789	384602396	/nfs/dbraw/zinc/60/23/96/384602396.db2.gz	FVFWSGJPONGKAV-UHFFFAOYSA-N	-1	0	239.230	2.792	10	5		BFBERM
Cc1c(C(=O)[O-])cc(C(F)F)cc1[N+](=O)[O-]	ZINC000575672249	387337333	/nfs/dbraw/zinc/33/73/33/387337333.db2.gz	VQJQYIHGQQBOPM-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C(F)F	ZINC000575672310	387337445	/nfs/dbraw/zinc/33/74/45/387337445.db2.gz	XWRKECPKRLOSBZ-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(C(F)F)c1C(=O)[O-]	ZINC000575672209	387337518	/nfs/dbraw/zinc/33/75/18/387337518.db2.gz	SWTNKZGHAWVGED-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(=O)[O-])c(C(F)F)c([N+](=O)[O-])c1	ZINC000575671738	387338216	/nfs/dbraw/zinc/33/82/16/387338216.db2.gz	LTMMYFLEVCNSQY-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(=O)[O-]	ZINC000575673863	387343088	/nfs/dbraw/zinc/34/30/88/387343088.db2.gz	OLQAYCLLGLAKBX-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
CC(=O)c1cc(C(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000002573986	388345092	/nfs/dbraw/zinc/34/50/92/388345092.db2.gz	KXMQCCSXWFSJPC-UHFFFAOYSA-N	-1	0	223.228	2.626	10	5		BFBERM
CC[C@@](C)(Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000054633549	171171609	/nfs/dbraw/zinc/17/16/09/171171609.db2.gz	SXZXIPORXPVOMX-LBPRGKRZSA-N	-1	0	237.255	2.638	10	5		BFBERM
O=[N+]([O-])c1c(Cl)cc([O-])cc1Cl	ZINC000034583532	347087215	/nfs/dbraw/zinc/08/72/15/347087215.db2.gz	GETDFRCRBVJZCK-UHFFFAOYSA-N	-1	0	208.000	2.607	10	5		BFBERM
O=[N+]([O-])c1cc2n[nH]c(Cl)c2c(Cl)c1	ZINC000014983719	350228642	/nfs/dbraw/zinc/22/86/42/350228642.db2.gz	KPIGSQZATGPGPF-UHFFFAOYSA-N	-1	0	232.026	2.778	10	5		BFBERM
Cc1c(Br)cc([S-])cc1[N+](=O)[O-]	ZINC000307021063	351428305	/nfs/dbraw/zinc/42/83/05/351428305.db2.gz	BWFLIWMUBALWLK-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
CCCN(CCC)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000090448221	363061248	/nfs/dbraw/zinc/06/12/48/363061248.db2.gz	MCBISBIYQJRUFG-UHFFFAOYSA-N	-1	0	238.287	2.927	10	5		BFBERM
O=[N+]([O-])c1cc(-c2ccco2)ccc1[O-]	ZINC000095494856	188320748	/nfs/dbraw/zinc/32/07/48/188320748.db2.gz	WVNHPGWFOXGYQU-UHFFFAOYSA-N	-1	0	205.169	2.560	10	5		BFBERM
O=C([O-])c1cc2ccc3cccnc3c2cc1O	ZINC000098179788	384600904	/nfs/dbraw/zinc/60/09/04/384600904.db2.gz	OZGBVKUUJZGVHT-UHFFFAOYSA-N	-1	0	239.230	2.792	10	5		BFBERM
Cc1cc([S-])cc(Cl)c1[N+](=O)[O-]	ZINC000306705444	386742000	/nfs/dbraw/zinc/74/20/00/386742000.db2.gz	OROIMZAZWKCTJY-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000575675573	387356434	/nfs/dbraw/zinc/35/64/34/387356434.db2.gz	WHWPLVNOKLOWOV-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F	ZINC000575675411	387357591	/nfs/dbraw/zinc/35/75/91/387357591.db2.gz	UPRDKJGBYRJHCV-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C(=O)[O-])cc1C(F)(F)F	ZINC000575674410	387343824	/nfs/dbraw/zinc/34/38/24/387343824.db2.gz	SBKUYVDDQYXISE-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1c(Br)ccc([S-])c1[N+](=O)[O-]	ZINC000307142988	397989036	/nfs/dbraw/zinc/98/90/36/397989036.db2.gz	FIMMWCPPEAANET-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
O=[N+]([O-])c1ccc(/C=C/Br)cc1[O-]	ZINC000685963965	712343972	/nfs/dbraw/zinc/34/39/72/712343972.db2.gz	LDGGONABIKDEQU-ONEGZZNKSA-N	-1	0	244.044	2.666	10	5		BFBERM
Nc1cc(C(=O)[O-])nc2c1ccc1ccccc12	ZINC000040176342	342958163	/nfs/dbraw/zinc/95/81/63/342958163.db2.gz	ITZLEMVNNNFATQ-UHFFFAOYSA-N	-1	0	238.246	2.668	10	5		BFBERM
Cc1cc([S-])c(Br)c([N+](=O)[O-])c1	ZINC000307190433	351591956	/nfs/dbraw/zinc/59/19/56/351591956.db2.gz	XLBVPDPZVRAHIE-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1ccc([N+](=O)[O-])c(Cl)c1[S-]	ZINC000307443886	352597170	/nfs/dbraw/zinc/59/71/70/352597170.db2.gz	CLSJUABSFIEPCM-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc([S-])c([N+](=O)[O-])cc1Cl	ZINC000307532311	352638161	/nfs/dbraw/zinc/63/81/61/352638161.db2.gz	YBJJCOOLHKINAJ-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc(C(F)F)cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000575672173	387308117	/nfs/dbraw/zinc/30/81/17/387308117.db2.gz	RQIZJXFMBFOMCG-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1C(F)F	ZINC000575671756	387337711	/nfs/dbraw/zinc/33/77/11/387337711.db2.gz	MHCATRGVHIFFOO-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(F)F)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000575671988	387341739	/nfs/dbraw/zinc/34/17/39/387341739.db2.gz	PUFNYYBPQJBSDD-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C)c(Cl)c1[O-]	ZINC000015810016	178269500	/nfs/dbraw/zinc/26/95/00/178269500.db2.gz	XNMLYIXDYXTAKD-UHFFFAOYSA-N	-1	0	201.609	2.571	10	5		BFBERM
COc1cc2c([O-])cc(=O)oc2c2ccccc12	ZINC000150012053	343464134	/nfs/dbraw/zinc/46/41/34/343464134.db2.gz	YRUGJKPIGGHLMA-UHFFFAOYSA-N	-1	0	242.230	2.660	10	5		BFBERM
CSC(=S)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000033649360	345807074	/nfs/dbraw/zinc/80/70/74/345807074.db2.gz	ITQUKCFFGTUWNZ-UHFFFAOYSA-N	-1	0	228.298	2.655	10	5		BFBERM
Cc1cc(Br)cc([S-])c1[N+](=O)[O-]	ZINC000306726163	350895935	/nfs/dbraw/zinc/89/59/35/350895935.db2.gz	YPKQNWOYALZUAY-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1ccc([S-])c([N+](=O)[O-])c1Br	ZINC000307274497	351830565	/nfs/dbraw/zinc/83/05/65/351830565.db2.gz	ZIKBKAXETXLJFW-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
O=Nc1c([O-])c2cccnc2c2ncccc12	ZINC000584638789	358324654	/nfs/dbraw/zinc/32/46/54/358324654.db2.gz	OOABFCQQGFOWDV-UHFFFAOYSA-N	-1	0	225.207	2.887	10	5		BFBERM
Cc1c([S-])cc([N+](=O)[O-])cc1Cl	ZINC000306590517	360493209	/nfs/dbraw/zinc/49/32/09/360493209.db2.gz	XYVKKTAAVWAFGU-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=C([O-])c1coc2ccc(Cl)c([N+](=O)[O-])c12	ZINC000031777187	372105736	/nfs/dbraw/zinc/10/57/36/372105736.db2.gz	MCEXEBBFSHSWKC-UHFFFAOYSA-N	-1	0	241.586	2.693	10	5		BFBERM
O=[N+]([O-])c1ccccc1[N-]C(F)(F)F	ZINC000095079868	182950675	/nfs/dbraw/zinc/95/06/75/182950675.db2.gz	QFHJYLLWCLQLHO-UHFFFAOYSA-N	-1	0	206.123	2.527	10	5		BFBERM
O=[N+]([O-])c1ccccc1-c1cc(O)ccc1O	ZINC000077360549	388675125	/nfs/dbraw/zinc/67/51/25/388675125.db2.gz	YSZSHXGFBNWUGP-UHFFFAOYSA-N	-1	0	231.207	2.673	10	5		BFBERM
CC(C)Sc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000037684870	167337407	/nfs/dbraw/zinc/33/74/07/167337407.db2.gz	WDUFWHXOIRDMNO-UHFFFAOYSA-N	-1	0	241.268	2.794	10	5		BFBERM
O=[N+]([O-])c1ccc([O-])cc1/C=C/Br	ZINC000685963846	538910689	/nfs/dbraw/zinc/91/06/89/538910689.db2.gz	HFIQLXMBEXRZDB-ONEGZZNKSA-N	-1	0	244.044	2.666	10	5		BFBERM
Cc1ccc(C([O-])=CC(=O)C(C)C)cc1[N+](=O)[O-]	ZINC000104077741	178371878	/nfs/dbraw/zinc/37/18/78/178371878.db2.gz	PMRJOTVDNASNDM-UHFFFAOYSA-N	-1	0	249.266	2.701	10	5		BFBERM
O=c1ccc2cc3ccc([O-])cc3oc-2c1	ZINC000025503670	344043364	/nfs/dbraw/zinc/04/33/64/344043364.db2.gz	HXYAESYPQJYEBJ-UHFFFAOYSA-N	-1	0	212.204	2.603	10	5		BFBERM
CC(C)(C)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000019801485	187314107	/nfs/dbraw/zinc/31/41/07/187314107.db2.gz	VCLKPBOYESSDNR-UHFFFAOYSA-N	-1	0	223.228	2.591	10	5		BFBERM
Cc1c([S-])ccc(Br)c1[N+](=O)[O-]	ZINC000307230162	351685753	/nfs/dbraw/zinc/68/57/53/351685753.db2.gz	BASNPIZNRVANRZ-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1c([S-])c(Br)ccc1[N+](=O)[O-]	ZINC000307633121	352723808	/nfs/dbraw/zinc/72/38/08/352723808.db2.gz	NHTYAEZWOPPXKY-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([S-])cc([N+](=O)[O-])c1Cl	ZINC000307180389	372094771	/nfs/dbraw/zinc/09/47/71/372094771.db2.gz	OGOMQQAEOSDEKR-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=[N+]([O-])c1c([O-])cc(Cl)cc1Cl	ZINC000039255902	372920297	/nfs/dbraw/zinc/92/02/97/372920297.db2.gz	AJEHWOKVPSKSLG-UHFFFAOYSA-N	-1	0	208.000	2.607	10	5		BFBERM
CCCCNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000006710009	168878993	/nfs/dbraw/zinc/87/89/93/168878993.db2.gz	ULBOWMVPHLLIMQ-UHFFFAOYSA-N	-1	0	238.243	2.505	10	5		BFBERM
Cc1cc(C(=O)[O-])c(C(F)(F)F)c([N+](=O)[O-])c1	ZINC000575675768	387359126	/nfs/dbraw/zinc/35/91/26/387359126.db2.gz	YHZCGOUNYHRFMK-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(=O)[O-]	ZINC000005534858	178269553	/nfs/dbraw/zinc/26/95/53/178269553.db2.gz	VYIDJYKRKKITIU-UHFFFAOYSA-N	-1	0	237.255	2.899	10	5		BFBERM
Cc1cc(Cl)c(/C=C/C(=O)[O-])c([N+](=O)[O-])c1	ZINC000396137842	344614095	/nfs/dbraw/zinc/61/40/95/344614095.db2.gz	QFQGPNMAYUDVDG-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc([N+](=O)[O-])c([S-])cc1Br	ZINC000306696279	350847815	/nfs/dbraw/zinc/84/78/15/350847815.db2.gz	XCJUMCCEQUCWND-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([S-])c(Cl)c([N+](=O)[O-])c1	ZINC000306710680	350871243	/nfs/dbraw/zinc/87/12/43/350871243.db2.gz	WLFPKCWDFZAQSM-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1c(Br)c([S-])ccc1[N+](=O)[O-]	ZINC000307050554	351447883	/nfs/dbraw/zinc/44/78/83/351447883.db2.gz	LUBNFFONPHNJPL-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
CCCSc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000019869590	169341314	/nfs/dbraw/zinc/34/13/14/169341314.db2.gz	RBIIGUJCESHIEX-UHFFFAOYSA-N	-1	0	241.268	2.795	10	5		BFBERM
COc1ccc2oc3c(O)cccc3c(=O)c2c1	ZINC000015119043	385697523	/nfs/dbraw/zinc/69/75/23/385697523.db2.gz	HEOWOJWZMKMTLX-UHFFFAOYSA-N	-1	0	242.230	2.660	10	5		BFBERM
Cc1cc(C(F)F)c(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000575672277	387338303	/nfs/dbraw/zinc/33/83/03/387338303.db2.gz	WVYJCKGZPSZKBD-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1C(F)(F)F	ZINC000575673142	387340099	/nfs/dbraw/zinc/34/00/99/387340099.db2.gz	CLGMEDVENAOIFF-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
COc1ccc(-c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000217961099	344210400	/nfs/dbraw/zinc/21/04/00/344210400.db2.gz	XTTIWUQYYZCHAS-UHFFFAOYSA-N	-1	0	245.234	2.976	10	5		BFBERM
Cc1ccc(/C=C/C(=O)[O-])c(Cl)c1[N+](=O)[O-]	ZINC000396135878	344613132	/nfs/dbraw/zinc/61/31/32/344613132.db2.gz	JOIOISXHLMUYDZ-SNAWJCMRSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1ccc(Cl)c([N+](=O)[O-])c1[S-]	ZINC000238480601	345057092	/nfs/dbraw/zinc/05/70/92/345057092.db2.gz	DHZAGEFRYJUCRJ-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc(Br)cc([N+](=O)[O-])c1[S-]	ZINC000306976264	351396423	/nfs/dbraw/zinc/39/64/23/351396423.db2.gz	AFCQIMFMRYUHCW-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1c(Cl)cc([S-])cc1[N+](=O)[O-]	ZINC000307525956	352634792	/nfs/dbraw/zinc/63/47/92/352634792.db2.gz	HIJBXQAURBAEHC-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1ccc([N+](=O)[O-])c([S-])c1Cl	ZINC000307645845	352737987	/nfs/dbraw/zinc/73/79/87/352737987.db2.gz	ARKKSAPSTZQSAK-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(Cl)cc1[S-]	ZINC000238552063	361149768	/nfs/dbraw/zinc/14/97/68/361149768.db2.gz	VRPKWYALCDRBCI-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=[N+]([O-])c1cc2n[nH]c(Cl)c2cc1Cl	ZINC000096321174	371469393	/nfs/dbraw/zinc/46/93/93/371469393.db2.gz	HFQLCQUHDTXBPO-UHFFFAOYSA-N	-1	0	232.026	2.778	10	5		BFBERM
O=[N+]([O-])c1cccc([N-]C(F)(F)F)c1	ZINC000095079334	182946448	/nfs/dbraw/zinc/94/64/48/182946448.db2.gz	CXTIFPALHGUIMS-UHFFFAOYSA-N	-1	0	206.123	2.527	10	5		BFBERM
CCCSc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000019869588	169341381	/nfs/dbraw/zinc/34/13/81/169341381.db2.gz	VSDPIIYFELLTOV-UHFFFAOYSA-N	-1	0	241.268	2.795	10	5		BFBERM
Cc1c([S-])cc(Br)cc1[N+](=O)[O-]	ZINC000307095049	385905353	/nfs/dbraw/zinc/90/53/53/385905353.db2.gz	FZFVRLZHHBVQHF-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C(F)(F)F	ZINC000575673293	387341678	/nfs/dbraw/zinc/34/16/78/387341678.db2.gz	GQUKZRNRSAGMOK-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1cccc2c1ccc1c([O-])cc(=O)oc12	ZINC000034485297	343272320	/nfs/dbraw/zinc/27/23/20/343272320.db2.gz	ZJXYANHJIKSKLF-UHFFFAOYSA-N	-1	0	226.231	2.960	10	5		BFBERM
Cc1c(Cl)ccc(/C=C/C(=O)[O-])c1[N+](=O)[O-]	ZINC000396138745	344614767	/nfs/dbraw/zinc/61/47/67/344614767.db2.gz	SDKBQSNSKMYQOJ-HWKANZROSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc([S-])cc(Br)c1[N+](=O)[O-]	ZINC000307012444	351420166	/nfs/dbraw/zinc/42/01/66/351420166.db2.gz	PXBCJHUYVUJMTH-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(Br)c1[S-]	ZINC000307272560	351824887	/nfs/dbraw/zinc/82/48/87/351824887.db2.gz	UOJGXRUYYIMDFM-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc(Cl)c([S-])c([N+](=O)[O-])c1	ZINC000307465854	352615452	/nfs/dbraw/zinc/61/54/52/352615452.db2.gz	DMQGCTGGAAWDNT-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1ccc(Br)c([N+](=O)[O-])c1[S-]	ZINC000307178264	386085788	/nfs/dbraw/zinc/08/57/88/386085788.db2.gz	JTJURGULQGZHCT-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(=O)[O-]	ZINC000575674530	387343002	/nfs/dbraw/zinc/34/30/02/387343002.db2.gz	UEERTZQUMCSUBE-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
COc1cccc(-c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000095494882	175233883	/nfs/dbraw/zinc/23/38/83/175233883.db2.gz	QMHHQOSZBPFBCK-UHFFFAOYSA-N	-1	0	245.234	2.976	10	5		BFBERM
Cc1cc([S-])c(Br)cc1[N+](=O)[O-]	ZINC000306931875	351356863	/nfs/dbraw/zinc/35/68/63/351356863.db2.gz	DCSXCTSLWKNURB-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([N+](=O)[O-])c([S-])cc1Cl	ZINC000307028750	351430668	/nfs/dbraw/zinc/43/06/68/351430668.db2.gz	NERMGGGOUKHXRS-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1ccc([N+](=O)[O-])c([S-])c1Br	ZINC000307040984	351444013	/nfs/dbraw/zinc/44/40/13/351444013.db2.gz	NDSPBPFCAXRPON-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc(Br)c([S-])cc1[N+](=O)[O-]	ZINC000307166705	351535176	/nfs/dbraw/zinc/53/51/76/351535176.db2.gz	PSLHIZHKMTUVIM-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
O=[N+]([O-])c1cc(/C=C/Br)ccc1[O-]	ZINC000685964041	541498070	/nfs/dbraw/zinc/49/80/70/541498070.db2.gz	RCHIIDSICVEBIP-ONEGZZNKSA-N	-1	0	244.044	2.666	10	5		BFBERM
O=[N+]([O-])c1ccc([N-]C(F)(F)F)cc1	ZINC000095088748	182935338	/nfs/dbraw/zinc/93/53/38/182935338.db2.gz	ACXFYBUIPDQXKX-UHFFFAOYSA-N	-1	0	206.123	2.527	10	5		BFBERM
Cc1cc(C(=O)[O-])cc(C(F)F)c1[N+](=O)[O-]	ZINC000575672152	387342973	/nfs/dbraw/zinc/34/29/73/387342973.db2.gz	QZHOMIYGWUGKNK-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(=O)[O-]	ZINC000575673401	387343235	/nfs/dbraw/zinc/34/32/35/387343235.db2.gz	IVYSYBSEHIIYDF-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
O=c1cc([O-])c2cccc3c4ccccc4n1c32	ZINC000002144988	342716095	/nfs/dbraw/zinc/71/60/95/342716095.db2.gz	WAUSMTNXPUNZOO-UHFFFAOYSA-N	-1	0	235.242	2.749	10	5		BFBERM
Cc1cc(/C=C/C(=O)[O-])c(Cl)c([N+](=O)[O-])c1	ZINC000396135196	344613169	/nfs/dbraw/zinc/61/31/69/344613169.db2.gz	HLKQIALEGDJLLT-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(/C=C/C(=O)[O-])c1Cl	ZINC000396139524	344615013	/nfs/dbraw/zinc/61/50/13/344615013.db2.gz	VBBLSLWDBRADBS-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
Cc1cc([S-])cc([N+](=O)[O-])c1Br	ZINC000307165741	351530875	/nfs/dbraw/zinc/53/08/75/351530875.db2.gz	NNXFKDXFSRNONI-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
O=[N+]([O-])c1cc([O-])cc2sc(Cl)nc21	ZINC000044712842	352384403	/nfs/dbraw/zinc/38/44/03/352384403.db2.gz	OTJNUCKQAHQZPK-UHFFFAOYSA-N	-1	0	230.632	2.564	10	5		BFBERM
Cc1cc(C(F)F)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000575672264	387337497	/nfs/dbraw/zinc/33/74/97/387337497.db2.gz	WFSPASVEEZPIRB-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1C(F)F	ZINC000575671721	387338030	/nfs/dbraw/zinc/33/80/30/387338030.db2.gz	LMSWEGRKVVJPAG-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1c([S-])cc([N+](=O)[O-])cc1Br	ZINC000306767060	350996672	/nfs/dbraw/zinc/99/66/72/350996672.db2.gz	CEULENUSBNTNPG-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc([S-])c1Br	ZINC000307014798	351422887	/nfs/dbraw/zinc/42/28/87/351422887.db2.gz	NCDJXQLAMOWADM-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([S-])c([N+](=O)[O-])c(Br)c1	ZINC000307168079	351539052	/nfs/dbraw/zinc/53/90/52/351539052.db2.gz	UCWBKQQJFFQGRY-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1ccc([S-])c([N+](=O)[O-])c1Cl	ZINC000307391834	352568947	/nfs/dbraw/zinc/56/89/47/352568947.db2.gz	XHVKTAKFMIOLAH-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=c1cc([O-])c2c(ccc3ccccc32)o1	ZINC000100298092	357930866	/nfs/dbraw/zinc/93/08/66/357930866.db2.gz	CDPQYNCOWQWSRL-UHFFFAOYSA-N	-1	0	212.204	2.652	10	5		BFBERM
O=C([O-])c1cc(Cl)c([N+](=O)[O-])c(Cl)c1	ZINC000139162861	361581251	/nfs/dbraw/zinc/58/12/51/361581251.db2.gz	NWZAOTIBIQHTIV-UHFFFAOYSA-N	-1	0	236.010	2.600	10	5		BFBERM
O=[N+]([O-])c1cc(O)ccc1NCc1ccccc1	ZINC000028864048	371667248	/nfs/dbraw/zinc/66/72/48/371667248.db2.gz	GMUQDMZQPPHHCU-UHFFFAOYSA-N	-1	0	244.250	2.913	10	5		BFBERM
Cc1c(C(F)F)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000575672348	387337730	/nfs/dbraw/zinc/33/77/30/387337730.db2.gz	ZLRJWZMLJUXUJL-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C(F)F)cc1C(=O)[O-]	ZINC000575671905	387341136	/nfs/dbraw/zinc/34/11/36/387341136.db2.gz	OKDRQWLLTJRWNO-UHFFFAOYSA-N	-1	0	231.154	2.539	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1C(F)(F)F	ZINC000575673214	387341437	/nfs/dbraw/zinc/34/14/37/387341437.db2.gz	FDDBJORYBHOPRE-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
CC(C)Sc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000037684874	167338987	/nfs/dbraw/zinc/33/89/87/167338987.db2.gz	ZDIBEANGZXJWGV-UHFFFAOYSA-N	-1	0	241.268	2.794	10	5		BFBERM
Cc1cc(Cl)cc([S-])c1[N+](=O)[O-]	ZINC000307410004	352586464	/nfs/dbraw/zinc/58/64/64/352586464.db2.gz	GGYXWXJOZVGSCO-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=c1c2cccc(Cl)c2[n-]cc1[N+](=O)[O-]	ZINC000016697483	360441894	/nfs/dbraw/zinc/44/18/94/360441894.db2.gz	NMYGFEPIIPRFLB-UHFFFAOYSA-N	-1	0	224.603	2.502	10	5		BFBERM
O=[N+]([O-])c1cc2sc(Cl)nc2c([O-])c1	ZINC000096321313	371469908	/nfs/dbraw/zinc/46/99/08/371469908.db2.gz	DARRKDLYTPTSDR-UHFFFAOYSA-N	-1	0	230.632	2.564	10	5		BFBERM
Cc1cc(Cl)c([S-])cc1[N+](=O)[O-]	ZINC000217533735	371974620	/nfs/dbraw/zinc/97/46/20/371974620.db2.gz	MPFZUMJEDKLKER-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000032150563	182677346	/nfs/dbraw/zinc/67/73/46/182677346.db2.gz	YHRILHYQNVLOEQ-UHFFFAOYSA-N	-1	0	243.218	2.531	10	5		BFBERM
COc1ccc2c(=O)oc3cc(O)ccc3c2c1	ZINC000575399419	387000927	/nfs/dbraw/zinc/00/09/27/387000927.db2.gz	NLTJGFZKNBGIFA-UHFFFAOYSA-N	-1	0	242.230	2.660	10	5		BFBERM
Cc1cc(C(=O)[O-])c(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000575673121	387339685	/nfs/dbraw/zinc/33/96/85/387339685.db2.gz	BUYUUARGUCDYST-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
O=[N+]([O-])c1cc(Oc2nccs2)ccc1[O-]	ZINC000074942289	387482340	/nfs/dbraw/zinc/48/23/40/387482340.db2.gz	OURDDOQZOSQYKX-UHFFFAOYSA-N	-1	0	238.224	2.549	10	5		BFBERM
Cc1ccc([S-])c(Br)c1[N+](=O)[O-]	ZINC000307357549	398109267	/nfs/dbraw/zinc/10/92/67/398109267.db2.gz	CTEYTEJDCWIIQG-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc(Cl)c(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396134109	344612707	/nfs/dbraw/zinc/61/27/07/344612707.db2.gz	CSWCGQVNNPMRIC-NSCUHMNNSA-N	-1	0	241.630	2.654	10	5		BFBERM
O=[N+]([O-])c1cc2c(cc1[O-])CCCCC2	ZINC000143569221	345904734	/nfs/dbraw/zinc/90/47/34/345904734.db2.gz	XPEARBPFYDIBPJ-UHFFFAOYSA-N	-1	0	207.229	2.569	10	5		BFBERM
O=[N+]([O-])c1c([O-])c(Cl)ccc1Cl	ZINC000033505743	190985268	/nfs/dbraw/zinc/98/52/68/190985268.db2.gz	KAZVEJBQIOEVSZ-UHFFFAOYSA-N	-1	0	208.000	2.607	10	5		BFBERM
Cc1cc([N+](=O)[O-])cc(Cl)c1[S-]	ZINC000307168039	351539464	/nfs/dbraw/zinc/53/94/64/351539464.db2.gz	UAGPAZFPYIXZRV-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
Cc1cc([S-])c([N+](=O)[O-])c(Cl)c1	ZINC000307545815	352645817	/nfs/dbraw/zinc/64/58/17/352645817.db2.gz	KOTDHMYDLXLPNP-UHFFFAOYSA-N	-1	0	203.650	2.845	10	5		BFBERM
O=[N+]([O-])c1cc(-c2ccccc2O)ccc1[O-]	ZINC000095494863	187800563	/nfs/dbraw/zinc/80/05/63/187800563.db2.gz	CFINYVAWIDHHRA-UHFFFAOYSA-N	-1	0	231.207	2.673	10	5		BFBERM
O=C([O-])c1cccc2cc3cc(O)ccc3nc21	ZINC000584635667	358319929	/nfs/dbraw/zinc/31/99/29/358319929.db2.gz	QBILXWNCOSECIN-UHFFFAOYSA-N	-1	0	239.230	2.792	10	5		BFBERM
Cc1cc(Br)c([N+](=O)[O-])cc1[S-]	ZINC000306963476	385730369	/nfs/dbraw/zinc/73/03/69/385730369.db2.gz	CRIVJHHHRVRIGO-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
Cc1cc([N+](=O)[O-])c(C(=O)[O-])c(C(F)(F)F)c1	ZINC000575673725	387342835	/nfs/dbraw/zinc/34/28/35/387342835.db2.gz	MOTPLYXEBORAPH-UHFFFAOYSA-N	-1	0	249.144	2.620	10	5		BFBERM
Cc1ccc(Br)c([S-])c1[N+](=O)[O-]	ZINC000307087898	397978840	/nfs/dbraw/zinc/97/88/40/397978840.db2.gz	SHPSHDHCOKUVQP-UHFFFAOYSA-N	-1	0	248.101	2.954	10	5		BFBERM
CC(C)(C)CCn1cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000049255239	166576349	/nfs/dbraw/zinc/57/63/49/166576349.db2.gz	YBHIRGIXQVWOJN-UHFFFAOYSA-N	-1	0	240.259	2.531	10	5		BFBERM