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-])Cc1c(F)ccc(Br)c1[N+](=O)[O-]	ZINC000097447149	304087858	/nfs/dbraw/zinc/08/78/58/304087858.db2.gz	UQMLAQDNWHIXPC-UHFFFAOYSA-N	-1	0	278.033	2.124	40	5		CEBBRM
CCCOc1c(OCC)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000225282821	370288552	/nfs/dbraw/zinc/28/85/52/370288552.db2.gz	ONAGEUXELQQSLO-UHFFFAOYSA-N	-1	0	269.253	2.481	40	5		CEBBRM
CC(C)(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1	ZINC000039319971	361989411	/nfs/dbraw/zinc/98/94/11/361989411.db2.gz	HVGLDRVQEDSUMP-UHFFFAOYSA-N	-1	0	251.238	2.278	40	5		CEBBRM
CCc1nc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n[nH]1	ZINC000014116677	361449022	/nfs/dbraw/zinc/44/90/22/361449022.db2.gz	MVEYDAUYDXRQKP-UHFFFAOYSA-N	-1	0	294.292	2.125	40	5		CEBBRM
O=C([O-])C1(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1	ZINC000004824531	170024385	/nfs/dbraw/zinc/02/43/85/170024385.db2.gz	DLGPMLPLESBNSA-UHFFFAOYSA-N	-1	0	295.251	2.312	40	5		CEBBRM
Cc1ccc([C@@H](C[N+](=O)[O-])c2c([O-])cc(C)oc2=O)cc1	ZINC000005730540	170134670	/nfs/dbraw/zinc/13/46/70/170134670.db2.gz	NFNGYGRYBVQBNL-GFCCVEGCSA-N	-1	0	289.287	2.371	40	5		CEBBRM
O=C([O-])c1ccc(C(=O)c2ccccc2[N+](=O)[O-])o1	ZINC000085394403	179049177	/nfs/dbraw/zinc/04/91/77/179049177.db2.gz	LJACCJRMELOZDP-UHFFFAOYSA-N	-1	0	261.189	2.117	40	5		CEBBRM
CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1	ZINC000016636718	361493946	/nfs/dbraw/zinc/49/39/46/361493946.db2.gz	BRFAKFFAZJDOTE-UHFFFAOYSA-N	-1	0	278.224	2.006	40	5		CEBBRM
O=C([O-])[C@@H]1CS[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000012428561	304137849	/nfs/dbraw/zinc/13/78/49/304137849.db2.gz	OGIOOLRVHUYVLO-IUCAKERBSA-N	-1	0	288.712	2.036	40	5		CEBBRM
O=C([O-])c1cccnc1Nc1ccc([N+](=O)[O-])cc1	ZINC000035288554	304272649	/nfs/dbraw/zinc/27/26/49/304272649.db2.gz	YXCQTDBQAHLOCX-UHFFFAOYSA-N	-1	0	259.221	2.432	40	5		CEBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(Cl)nc2c1[O-]	ZINC000001704751	304801191	/nfs/dbraw/zinc/80/11/91/304801191.db2.gz	SKAUWKWBJDGXDU-UHFFFAOYSA-N	-1	0	269.600	2.410	40	5		CEBBRM
Cc1ccc([C@H](C[N+](=O)[O-])c2c([O-])cc(C)oc2=O)cc1	ZINC000005730543	170134583	/nfs/dbraw/zinc/13/45/83/170134583.db2.gz	NFNGYGRYBVQBNL-LBPRGKRZSA-N	-1	0	289.287	2.371	40	5		CEBBRM
O=C([O-])/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	ZINC000008727643	170349880	/nfs/dbraw/zinc/34/98/80/170349880.db2.gz	XFFXWVKQNKGGHV-SNAWJCMRSA-N	-1	0	271.232	2.150	40	5		CEBBRM
O=C([O-])COc1ccc2nc3ccccc3nc2c1	ZINC000085390704	179047851	/nfs/dbraw/zinc/04/78/51/179047851.db2.gz	OWEKWEIRRDMDTO-UHFFFAOYSA-N	-1	0	254.245	2.246	40	5		CEBBRM
O=C([O-])CCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000008732321	170351511	/nfs/dbraw/zinc/35/15/11/170351511.db2.gz	AFIDOMMINKOVTK-UHFFFAOYSA-N	-1	0	272.644	2.052	40	5		CEBBRM
O=[N+]([O-])c1cc(Br)c(F)c(F)c1[O-]	ZINC000169800503	304798619	/nfs/dbraw/zinc/79/86/19/304798619.db2.gz	HAKNMPMWTQRLOW-UHFFFAOYSA-N	-1	0	253.986	2.341	40	5		CEBBRM
CC[C@@H](C(=O)[O-])n1nc(C)c([N+](=O)[O-])c1C(F)F	ZINC000408717333	375517085	/nfs/dbraw/zinc/51/70/85/375517085.db2.gz	YODSNUXYAGFNJY-YFKPBYRVSA-N	-1	0	263.200	2.073	40	5		CEBBRM
CC[C@](C)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004824529	170024441	/nfs/dbraw/zinc/02/44/41/170024441.db2.gz	BXHZCCUNEHGDKU-NSHDSACASA-N	-1	0	283.240	2.168	40	5		CEBBRM
O=c1cc(-c2ccccc2)[n-]n1-c1ccncc1[N+](=O)[O-]	ZINC000016478025	361489277	/nfs/dbraw/zinc/48/92/77/361489277.db2.gz	DCAJNHWUDNULDP-UHFFFAOYSA-N	-1	0	282.259	2.131	40	5		CEBBRM
O=C([O-])c1cn(Cc2ccc(F)cc2Cl)nc1[N+](=O)[O-]	ZINC000408715273	375516631	/nfs/dbraw/zinc/51/66/31/375516631.db2.gz	AKPMDMFVVFJKFX-UHFFFAOYSA-N	-1	0	299.645	2.330	40	5		CEBBRM
Cc1c([N+](=O)[O-])cccc1C1(C(=O)[O-])CCC(=O)CC1	ZINC000090651107	301013294	/nfs/dbraw/zinc/01/32/94/301013294.db2.gz	RSFMQHXIMGGSHQ-UHFFFAOYSA-N	-1	0	277.276	2.369	40	5		CEBBRM
Cc1cc([O-])c([N+](=O)[O-])cc1I	ZINC000097447202	301369773	/nfs/dbraw/zinc/36/97/73/301369773.db2.gz	YCUPWCTWGYUTPA-UHFFFAOYSA-N	-1	0	279.033	2.213	40	5		CEBBRM
COc1c(Br)cc([N+](=O)[O-])c([O-])c1C(C)=O	ZINC000001695750	361217637	/nfs/dbraw/zinc/21/76/37/361217637.db2.gz	FSDPWNYTSUICQP-UHFFFAOYSA-N	-1	0	290.069	2.274	40	5		CEBBRM
CC[C@H](C(=O)[O-])N(CC)c1cccc([N+](=O)[O-])c1	ZINC000225003289	189742912	/nfs/dbraw/zinc/74/29/12/189742912.db2.gz	ZYJKGDNOLGPDFB-LLVKDONJSA-N	-1	0	252.270	2.284	40	5		CEBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)c([N+](=O)[O-])c1[O-]	ZINC000095571418	304801174	/nfs/dbraw/zinc/80/11/74/304801174.db2.gz	KFQBCDZWGSUGLD-UHFFFAOYSA-N	-1	0	297.101	2.136	40	5		CEBBRM
O=C([O-])/C=C/c1ccc([N+](=O)[O-])c(Br)c1	ZINC000098091089	364530401	/nfs/dbraw/zinc/53/04/01/364530401.db2.gz	LUGYEZCCSJKAMD-DUXPYHPUSA-N	-1	0	272.054	2.455	40	5		CEBBRM
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-]	ZINC000001580220	301066455	/nfs/dbraw/zinc/06/64/55/301066455.db2.gz	JNULUJRRPUVWPP-UHFFFAOYSA-N	-1	0	288.259	2.061	40	5		CEBBRM
CC(C)(C)c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000216908877	328861876	/nfs/dbraw/zinc/86/18/76/328861876.db2.gz	QQOGTQBOYHXIHL-UHFFFAOYSA-N	-1	0	253.254	2.356	40	5		CEBBRM
O=C([O-])c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000085394410	179049153	/nfs/dbraw/zinc/04/91/53/179049153.db2.gz	IWLCXIWYPVALPP-UHFFFAOYSA-N	-1	0	261.189	2.117	40	5		CEBBRM
O=[N+]([O-])c1cc(Cc2ccccc2)cc(CO)c1[O-]	ZINC000030714680	361700792	/nfs/dbraw/zinc/70/07/92/361700792.db2.gz	YLRCESQYDCLCRR-UHFFFAOYSA-N	-1	0	259.261	2.384	40	5		CEBBRM
CCCN(c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-]	ZINC000225003348	370284092	/nfs/dbraw/zinc/28/40/92/370284092.db2.gz	KKNTXVQEHXWPMK-VIFPVBQESA-N	-1	0	252.270	2.284	40	5		CEBBRM
O=C([O-])c1csc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000002528919	169803452	/nfs/dbraw/zinc/80/34/52/169803452.db2.gz	WEPZWONPRBMLCG-UHFFFAOYSA-N	-1	0	265.250	2.493	40	5		CEBBRM
CCOC(=O)C=C([O-])c1ccc([N+](=O)[O-])c(C)c1	ZINC000067799347	175792589	/nfs/dbraw/zinc/79/25/89/175792589.db2.gz	PVACLCXVHHQQAF-UHFFFAOYSA-N	-1	0	251.238	2.039	40	5		CEBBRM
COc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000045957546	294993940	/nfs/dbraw/zinc/99/39/40/294993940.db2.gz	IMFMWTFFLIETAH-UHFFFAOYSA-N	-1	0	280.280	2.292	40	5		CEBBRM
O=C([O-])/C=C\c1ccc(Br)cc1[N+](=O)[O-]	ZINC000085479094	304024263	/nfs/dbraw/zinc/02/42/63/304024263.db2.gz	KPPLDWZFIDADCX-RQOWECAXSA-N	-1	0	272.054	2.455	40	5		CEBBRM
CC[C@@H](C(=O)[O-])n1nc(C(F)F)c([N+](=O)[O-])c1C	ZINC000408717031	375516113	/nfs/dbraw/zinc/51/61/13/375516113.db2.gz	UZAPWWPOJJQHBK-YFKPBYRVSA-N	-1	0	263.200	2.073	40	5		CEBBRM
COc1cc(C(=O)[O-])c(OC(C)C)c([N+](=O)[O-])c1	ZINC000225280897	394468141	/nfs/dbraw/zinc/46/81/41/394468141.db2.gz	CUMPGIMMYCTLLL-UHFFFAOYSA-N	-1	0	255.226	2.089	40	5		CEBBRM
O=C([O-])c1cccnc1Oc1ccc([N+](=O)[O-])cc1	ZINC000008729657	170350397	/nfs/dbraw/zinc/35/03/97/170350397.db2.gz	BGPRTDFBHSDSKZ-UHFFFAOYSA-N	-1	0	260.205	2.480	40	5		CEBBRM
O=c1[nH]c(C=Cc2cccc(Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234786	170368053	/nfs/dbraw/zinc/36/80/53/170368053.db2.gz	RFNIDZBAUPURJR-SNAWJCMRSA-N	-1	0	293.666	2.208	40	5		CEBBRM
COc1cc2cccnc2c2ncc(C(=O)[O-])c(O)c12	ZINC000005424642	295044056	/nfs/dbraw/zinc/04/40/56/295044056.db2.gz	VFISBMJRYFYJIF-UHFFFAOYSA-N	-1	0	270.244	2.195	40	5		CEBBRM
CCOc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OCC	ZINC000013335555	361426235	/nfs/dbraw/zinc/42/62/35/361426235.db2.gz	FULLWXSFKCFUCD-UHFFFAOYSA-N	-1	0	255.226	2.090	40	5		CEBBRM
O=C([O-])Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000019281081	361525279	/nfs/dbraw/zinc/52/52/79/361525279.db2.gz	VDVIPEHMVRUTCM-UHFFFAOYSA-N	-1	0	290.231	2.067	40	5		CEBBRM
O=C([O-])[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)CC1	ZINC000159050684	366873393	/nfs/dbraw/zinc/87/33/93/366873393.db2.gz	OEIYHUSVJULXIR-AOOOYVTPSA-N	-1	0	279.296	2.293	40	5		CEBBRM
O=C([O-])c1cccc([N+](=O)[O-])c1N1CCCCC1	ZINC000006733652	304265443	/nfs/dbraw/zinc/26/54/43/304265443.db2.gz	TWTRPCPEUQFCAA-UHFFFAOYSA-N	-1	0	250.254	2.283	40	5		CEBBRM
O=C([O-])C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000037652482	304042404	/nfs/dbraw/zinc/04/24/04/304042404.db2.gz	FXUHNKIBBLFBBR-UHFFFAOYSA-N	-1	0	268.244	2.035	40	5		CEBBRM
CCOC(=O)c1[n-]c2c(cccc2[N+](=O)[O-])c1C=O	ZINC000002527013	361237661	/nfs/dbraw/zinc/23/76/61/361237661.db2.gz	HAUUYXMEVVDDBB-UHFFFAOYSA-N	-1	0	262.221	2.065	40	5		CEBBRM
O=C([O-])c1cccnc1Nc1cccc([N+](=O)[O-])c1	ZINC000035288556	172106001	/nfs/dbraw/zinc/10/60/01/172106001.db2.gz	XYTDWEFEUCVUHK-UHFFFAOYSA-N	-1	0	259.221	2.432	40	5		CEBBRM
CC(=C1SC([O-])=NC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408718297	277728998	/nfs/dbraw/zinc/72/89/98/277728998.db2.gz	QVVQZERBBDFQSY-RMKNXTFCSA-N	-1	0	264.262	2.309	40	5		CEBBRM
CC[C@H](C(=O)[O-])n1nc(C(F)F)c([N+](=O)[O-])c1C	ZINC000408717030	529624529	/nfs/dbraw/zinc/62/45/29/529624529.db2.gz	UZAPWWPOJJQHBK-RXMQYKEDSA-N	-1	0	263.200	2.073	40	5		CEBBRM
CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])[nH]1	ZINC000014116627	361449144	/nfs/dbraw/zinc/44/91/44/361449144.db2.gz	YBBFFXZCKCOBTR-UHFFFAOYSA-N	-1	0	294.292	2.125	40	5		CEBBRM
O=C([O-])c1cn(Cc2ccccc2Cl)nc1[N+](=O)[O-]	ZINC000408716939	375516582	/nfs/dbraw/zinc/51/65/82/375516582.db2.gz	SXPLTOLTWKFXAJ-UHFFFAOYSA-N	-1	0	281.655	2.191	40	5		CEBBRM
O=C([O-])c1ccc2c3c(ccc([N+](=O)[O-])c31)NC2=O	ZINC000005085993	304254206	/nfs/dbraw/zinc/25/42/06/304254206.db2.gz	DHCFXWRTVNXHPG-UHFFFAOYSA-N	-1	0	258.189	2.012	40	5		CEBBRM
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2F)cc1Cl	ZINC000408717526	304284716	/nfs/dbraw/zinc/28/47/16/304284716.db2.gz	FRWDDZFEAYLLNJ-UHFFFAOYSA-N	-1	0	285.618	2.271	40	5		CEBBRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000039956963	361990012	/nfs/dbraw/zinc/99/00/12/361990012.db2.gz	BIGZDVREYMBPRU-JTQLQIEISA-N	-1	0	296.279	2.245	40	5		CEBBRM
COc1cc2c(cc1Br)[n-]cc([N+](=O)[O-])c2=O	ZINC000222098103	344540067	/nfs/dbraw/zinc/54/00/67/344540067.db2.gz	RGFZSSBOWXIDIO-UHFFFAOYSA-N	-1	0	299.080	2.207	40	5		CEBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c[nH]c3ccccc23)[nH]1	ZINC000003997930	361295449	/nfs/dbraw/zinc/29/54/49/361295449.db2.gz	NNYBAUSTLGTEJW-AATRIKPKSA-N	-1	0	298.258	2.448	40	5		CEBBRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000039956965	174179087	/nfs/dbraw/zinc/17/90/87/174179087.db2.gz	WBRGHOVFXZNGFI-JTQLQIEISA-N	-1	0	296.279	2.245	40	5		CEBBRM
O=C([O-])C1(c2ccc([N+](=O)[O-])cc2)CCC(=O)CC1	ZINC000090651089	304035036	/nfs/dbraw/zinc/03/50/36/304035036.db2.gz	PJWGTEWPFIMNPV-UHFFFAOYSA-N	-1	0	263.249	2.060	40	5		CEBBRM
CCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000001706885	361218347	/nfs/dbraw/zinc/21/83/47/361218347.db2.gz	PSYVWBBSCKPZNI-UHFFFAOYSA-N	-1	0	252.226	2.032	40	5		CEBBRM
CCCCO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127224	370285584	/nfs/dbraw/zinc/28/55/84/370285584.db2.gz	LOWJQXZOZYZNCF-LBPRGKRZSA-N	-1	0	267.281	2.407	40	5		CEBBRM
C[N-]C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005412967	170095790	/nfs/dbraw/zinc/09/57/90/170095790.db2.gz	QMCDQTSAGLBTFF-UHFFFAOYSA-N	-1	0	273.295	2.099	40	5		CEBBRM
Cc1c([N+](=O)[O-])c(C(F)F)nn1[C@@H](C)CC(=O)[O-]	ZINC000408716657	375516617	/nfs/dbraw/zinc/51/66/17/375516617.db2.gz	PHBXAGAJLZKMCQ-BYPYZUCNSA-N	-1	0	263.200	2.073	40	5		CEBBRM
CCCN(c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-]	ZINC000260679373	328007018	/nfs/dbraw/zinc/00/70/18/328007018.db2.gz	KKNTXVQEHXWPMK-SECBINFHSA-N	-1	0	252.270	2.284	40	5		CEBBRM
O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)ccc1[O-]	ZINC000034770523	343420950	/nfs/dbraw/zinc/42/09/50/343420950.db2.gz	KATRASQPUDIQOV-UHFFFAOYSA-N	-1	0	279.273	2.133	40	5		CEBBRM
Cc1c(C(=O)[O-])c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000001610384	539722478	/nfs/dbraw/zinc/72/24/78/539722478.db2.gz	BHRWYMPLWJDHMK-UHFFFAOYSA-N	-1	0	254.198	2.126	40	5		CEBBRM
Cc1cc([N+](=O)[O-])c2ccc(C(=O)[O-])nc2c1F	ZINC000085399925	363835808	/nfs/dbraw/zinc/83/58/08/363835808.db2.gz	FKCGXDONPHLPIG-UHFFFAOYSA-N	-1	0	250.185	2.289	40	5		CEBBRM
O=C([O-])[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl	ZINC000010012475	304188579	/nfs/dbraw/zinc/18/85/79/304188579.db2.gz	JAVQSYXZJKEYIE-SNVBAGLBSA-N	-1	0	270.672	2.302	40	5		CEBBRM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000008699153	170346379	/nfs/dbraw/zinc/34/63/79/170346379.db2.gz	MDWBEVONBWMBJG-JTQLQIEISA-N	-1	0	296.279	2.245	40	5		CEBBRM
O=C([O-])/C=C/c1ccc(Br)c([N+](=O)[O-])c1	ZINC000036970799	172838325	/nfs/dbraw/zinc/83/83/25/172838325.db2.gz	ISQDPARVFFIVKA-DUXPYHPUSA-N	-1	0	272.054	2.455	40	5		CEBBRM
O=C([O-])CCc1ccc(Br)c([N+](=O)[O-])c1	ZINC000040448336	174265374	/nfs/dbraw/zinc/26/53/74/174265374.db2.gz	DIPFASGZVCFKGT-UHFFFAOYSA-N	-1	0	274.070	2.375	40	5		CEBBRM
Cc1c([N+](=O)[O-])c(C(F)F)nn1[C@H](C)CC(=O)[O-]	ZINC000408716658	230408775	/nfs/dbraw/zinc/40/87/75/230408775.db2.gz	PHBXAGAJLZKMCQ-SCSAIBSYSA-N	-1	0	263.200	2.073	40	5		CEBBRM
CC(C)(C)C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000037089040	361895659	/nfs/dbraw/zinc/89/56/59/361895659.db2.gz	BAYNYTRCAUYHDN-UHFFFAOYSA-N	-1	0	297.336	2.160	40	5		CEBBRM
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1Br	ZINC000261507168	539163904	/nfs/dbraw/zinc/16/39/04/539163904.db2.gz	GDRXHJGZRSVCBT-UHFFFAOYSA-N	-1	0	276.042	2.064	40	5		CEBBRM
O=c1c2ccccc2nc(-c2cccc([N+](=O)[O-])c2)n1[O-]	ZINC000001591189	361209961	/nfs/dbraw/zinc/20/99/61/361209961.db2.gz	RAZQHGQZUWOGQY-UHFFFAOYSA-N	-1	0	283.243	2.209	40	5		CEBBRM
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000100718815	185723645	/nfs/dbraw/zinc/72/36/45/185723645.db2.gz	CDSAMNVLRSHLPN-UHFFFAOYSA-N	-1	0	261.155	2.299	40	5	in-vitro	CEBBRM
O=C([O-])CCSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000001378688	169696582	/nfs/dbraw/zinc/69/65/82/169696582.db2.gz	QGODTXPCDSEKOR-UHFFFAOYSA-N	-1	0	295.276	2.212	40	5		CEBBRM
COc1c(C(=O)[O-])cc(Br)cc1[N+](=O)[O-]	ZINC000091297254	294888027	/nfs/dbraw/zinc/88/80/27/294888027.db2.gz	UYAFJWNETZAGDU-UHFFFAOYSA-N	-1	0	276.042	2.064	40	5		CEBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1	ZINC000408822812	395303110	/nfs/dbraw/zinc/30/31/10/395303110.db2.gz	XVJOBNAPBFNUKC-YRNVUSSQSA-N	-1	0	299.242	2.035	40	5		CEBBRM
CCCCN1CCN=C1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005419641	170097244	/nfs/dbraw/zinc/09/72/44/170097244.db2.gz	YPNMQRWDUHHQML-UHFFFAOYSA-N	-1	0	263.297	2.163	40	5		CEBBRM
O=C([O-])c1ccc(CNc2cccc([N+](=O)[O-])c2)o1	ZINC000008702218	170346946	/nfs/dbraw/zinc/34/69/46/170346946.db2.gz	YEYCZBKHVKVONL-UHFFFAOYSA-N	-1	0	262.221	2.498	40	5		CEBBRM
CC(=O)Oc1c(C(=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]	ZINC000057339596	362578685	/nfs/dbraw/zinc/57/86/85/362578685.db2.gz	KJAQQQWPSIKJGA-UHFFFAOYSA-N	-1	0	267.237	2.342	40	5		CEBBRM
O=C([O-])c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)o1	ZINC000085394406	179049277	/nfs/dbraw/zinc/04/92/77/179049277.db2.gz	LVUKBOIBJSJTLH-UHFFFAOYSA-N	-1	0	261.189	2.117	40	5		CEBBRM
Cc1c(F)cc([N+](=O)[O-])c2nc(C(=O)[O-])ccc12	ZINC000085399907	179051973	/nfs/dbraw/zinc/05/19/73/179051973.db2.gz	YTVXZDWNJSAJRT-UHFFFAOYSA-N	-1	0	250.185	2.289	40	5		CEBBRM
O=C([O-])Cc1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000126385056	304088582	/nfs/dbraw/zinc/08/85/82/304088582.db2.gz	DYVOQYTWDUVOFZ-UHFFFAOYSA-N	-1	0	278.033	2.124	40	5		CEBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1cccnc1	ZINC000019844677	361561262	/nfs/dbraw/zinc/56/12/62/361561262.db2.gz	JHXFFGMQCUMRPU-UHFFFAOYSA-N	-1	0	259.221	2.432	40	5		CEBBRM
O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl	ZINC000010012476	304115334	/nfs/dbraw/zinc/11/53/34/304115334.db2.gz	JAVQSYXZJKEYIE-JTQLQIEISA-N	-1	0	270.672	2.302	40	5		CEBBRM
O=C([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1F	ZINC000085667139	304223872	/nfs/dbraw/zinc/22/38/72/304223872.db2.gz	FEGCOZKWDPXHID-UHFFFAOYSA-N	-1	0	253.107	2.451	40	5		CEBBRM
Cc1cc(C)nc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000408712809	301266100	/nfs/dbraw/zinc/26/61/00/301266100.db2.gz	SYLLYHPOOZPQAR-UHFFFAOYSA-N	-1	0	288.263	2.443	40	5		CEBBRM
Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1Br	ZINC000097447191	301269171	/nfs/dbraw/zinc/26/91/71/301269171.db2.gz	NEKYOIUXPKOASB-UHFFFAOYSA-N	-1	0	274.070	2.293	40	5		CEBBRM
O=C([O-])/C=C\c1cc(Br)cc([N+](=O)[O-])c1	ZINC000216775814	304023996	/nfs/dbraw/zinc/02/39/96/304023996.db2.gz	VFHFOLQJHIBGKM-UPHRSURJSA-N	-1	0	272.054	2.455	40	5		CEBBRM
O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000026896479	304115286	/nfs/dbraw/zinc/11/52/86/304115286.db2.gz	BSRJMIGPGRLEBN-JTQLQIEISA-N	-1	0	270.672	2.302	40	5		CEBBRM
CCOc1cc([N+](=O)[O-])cc(C(=O)[O-])c1OCC	ZINC000225282661	370288489	/nfs/dbraw/zinc/28/84/89/370288489.db2.gz	HKQVQSVULVIDRN-UHFFFAOYSA-N	-1	0	255.226	2.090	40	5		CEBBRM
Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(C)c1	ZINC000033761096	343418148	/nfs/dbraw/zinc/41/81/48/343418148.db2.gz	FIFAZQGKMWVQJM-AATRIKPKSA-N	-1	0	287.275	2.171	40	5		CEBBRM
Cc1ccc2cc(CCC(=O)[O-])cnc2c1[N+](=O)[O-]	ZINC000256049711	344647318	/nfs/dbraw/zinc/64/73/18/344647318.db2.gz	BBOFIDSDRSBKKB-UHFFFAOYSA-N	-1	0	260.249	2.469	40	5		CEBBRM
CCCCn1c2ccccc2c([O-])c([N+](=O)[O-])c1=O	ZINC000100292406	364543684	/nfs/dbraw/zinc/54/36/84/364543684.db2.gz	JTGBOQJOJLAVGA-UHFFFAOYSA-N	-1	0	262.265	2.415	40	5		CEBBRM
Cc1ccc(S(=O)(=O)[O-])c2c1cccc2[N+](=O)[O-]	ZINC000001683091	169741185	/nfs/dbraw/zinc/74/11/85/169741185.db2.gz	OXVYWSXMLWQPHT-UHFFFAOYSA-N	-1	0	267.262	2.303	40	5		CEBBRM
CCN(CCCC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000225003187	370284382	/nfs/dbraw/zinc/28/43/82/370284382.db2.gz	IGGPKYZJANWIHJ-UHFFFAOYSA-N	-1	0	252.270	2.286	40	5		CEBBRM
CCN(CC)c1cc(OC)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000045957642	175389458	/nfs/dbraw/zinc/38/94/58/175389458.db2.gz	ORJQHUFDQREIKU-UHFFFAOYSA-N	-1	0	268.269	2.148	40	5		CEBBRM
Cc1c(Br)c([O-])c(C=O)c(C)c1[N+](=O)[O-]	ZINC000004299090	300908728	/nfs/dbraw/zinc/90/87/28/300908728.db2.gz	NDJODFXHEPTGTN-UHFFFAOYSA-N	-1	0	274.070	2.492	40	5		CEBBRM
Cc1cc(F)c([N+](=O)[O-])c2ccc(C(=O)[O-])nc12	ZINC000085399933	301297901	/nfs/dbraw/zinc/29/79/01/301297901.db2.gz	ZKROSGPLXLWQBG-UHFFFAOYSA-N	-1	0	250.185	2.289	40	5		CEBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1SC1=NCCS1	ZINC000016385740	361487268	/nfs/dbraw/zinc/48/72/68/361487268.db2.gz	JFLLCNZZFBMERM-UHFFFAOYSA-N	-1	0	284.318	2.488	40	5		CEBBRM
CC[C@@H](C(=O)[O-])N(CC)c1cccc([N+](=O)[O-])c1	ZINC000225003245	370284222	/nfs/dbraw/zinc/28/42/22/370284222.db2.gz	ZYJKGDNOLGPDFB-NSHDSACASA-N	-1	0	252.270	2.284	40	5		CEBBRM
CCCO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127073	370285580	/nfs/dbraw/zinc/28/55/80/370285580.db2.gz	GDHSXQUHOPPYOO-LLVKDONJSA-N	-1	0	253.254	2.017	40	5		CEBBRM
CC(C)O[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127128	370285628	/nfs/dbraw/zinc/28/56/28/370285628.db2.gz	YQDPITJVIYVKBZ-NSHDSACASA-N	-1	0	253.254	2.016	40	5		CEBBRM
CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O	ZINC000409076009	375518265	/nfs/dbraw/zinc/51/82/65/375518265.db2.gz	WJAODYBAGIAQIB-RMKNXTFCSA-N	-1	0	294.288	2.357	40	5		CEBBRM
CCOC(=O)c1cc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1	ZINC000021982358	394473682	/nfs/dbraw/zinc/47/36/82/394473682.db2.gz	DSZHTYQTAPTAHY-UHFFFAOYSA-N	-1	0	279.208	2.161	40	5		CEBBRM
CC(C)COCc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000072209188	394592415	/nfs/dbraw/zinc/59/24/15/394592415.db2.gz	BQHCKSIHWDMZGU-UHFFFAOYSA-N	-1	0	253.254	2.466	40	5		CEBBRM
O=C([O-])/C=C/c1cnc(-c2ccc([N+](=O)[O-])cc2)nc1	ZINC000015418376	170665320	/nfs/dbraw/zinc/66/53/20/170665320.db2.gz	XNGVVXWOMXEKES-LZCJLJQNSA-N	-1	0	271.232	2.150	40	5		CEBBRM
O=C([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2)n1	ZINC000051041653	328452205	/nfs/dbraw/zinc/45/22/05/328452205.db2.gz	BGKZAZKJJRMHDR-UHFFFAOYSA-N	-1	0	260.205	2.480	40	5		CEBBRM
CCN1C(=O)S/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000409072545	375518346	/nfs/dbraw/zinc/51/83/46/375518346.db2.gz	CQARIXPCIHDXBJ-UXBLZVDNSA-N	-1	0	294.288	2.357	40	5		CEBBRM
Cc1c(Br)cc(C=O)c([O-])c1[N+](=O)[O-]	ZINC000004290798	300909004	/nfs/dbraw/zinc/90/90/04/300909004.db2.gz	GFWKCJLASBDIPO-UHFFFAOYSA-N	-1	0	260.043	2.184	40	5		CEBBRM
CCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000014257534	361455522	/nfs/dbraw/zinc/45/55/22/361455522.db2.gz	JQYBUXZRAWEUSZ-UHFFFAOYSA-N	-1	0	297.336	2.304	40	5		CEBBRM
O=C([O-])CCc1ccc([N+](=O)[O-])cc1Br	ZINC000037460596	394496459	/nfs/dbraw/zinc/49/64/59/394496459.db2.gz	IBGQUVPGDASTRT-UHFFFAOYSA-N	-1	0	274.070	2.375	40	5		CEBBRM
O=C([O-])c1csc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000004244895	361307811	/nfs/dbraw/zinc/30/78/11/361307811.db2.gz	PGLWAUKTPVYTHD-UHFFFAOYSA-N	-1	0	265.250	2.493	40	5		CEBBRM
CC(C)CO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127305	189744676	/nfs/dbraw/zinc/74/46/76/189744676.db2.gz	VTRXRXBACNNCLH-LBPRGKRZSA-N	-1	0	267.281	2.263	40	5		CEBBRM
CCCCO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127257	370285397	/nfs/dbraw/zinc/28/53/97/370285397.db2.gz	LOWJQXZOZYZNCF-GFCCVEGCSA-N	-1	0	267.281	2.407	40	5		CEBBRM
Cc1c(F)cc2ccc(C(=O)[O-])nc2c1[N+](=O)[O-]	ZINC000085399917	394643138	/nfs/dbraw/zinc/64/31/38/394643138.db2.gz	RKUAFSFOZFLXGN-UHFFFAOYSA-N	-1	0	250.185	2.289	40	5		CEBBRM
COc1cc([N+](=O)[O-])cc(/C=C/C(=O)[O-])c1OC(F)F	ZINC000078406335	177339045	/nfs/dbraw/zinc/33/90/45/177339045.db2.gz	UCTNDBCVXURVAB-NSCUHMNNSA-N	-1	0	289.190	2.303	40	5		CEBBRM
Cc1cn(Cc2ccccc2Cl)c(=O)c([N+](=O)[O-])c1[O-]	ZINC000199864296	333181664	/nfs/dbraw/zinc/18/16/64/333181664.db2.gz	HCIVLBXSHMWZGL-UHFFFAOYSA-N	-1	0	294.694	2.472	40	5		CEBBRM
CCOc1cc([N+](=O)[O-])cc(C(=O)[O-])c1OC(C)C	ZINC000225282716	370288029	/nfs/dbraw/zinc/28/80/29/370288029.db2.gz	RPZZXADRVISEES-UHFFFAOYSA-N	-1	0	269.253	2.479	40	5		CEBBRM
Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)cccc1C(=O)[O-]	ZINC000020139732	171027123	/nfs/dbraw/zinc/02/71/23/171027123.db2.gz	MHGONWSLARFRGS-UHFFFAOYSA-N	-1	0	290.231	2.447	40	5		CEBBRM
Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000005635120	302990339	/nfs/dbraw/zinc/99/03/39/302990339.db2.gz	VVESVYCMSBNOSO-UHFFFAOYSA-N	-1	0	279.277	2.178	40	5		CEBBRM
O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1Br	ZINC000169800453	188665412	/nfs/dbraw/zinc/66/54/12/188665412.db2.gz	YVIPHEFDFFMCKZ-SNAWJCMRSA-N	-1	0	272.054	2.455	40	5		CEBBRM
CC(C)(C)C(=O)OCc1ccc([N+](=O)[O-])c([O-])c1	ZINC000085223619	363833609	/nfs/dbraw/zinc/83/36/09/363833609.db2.gz	ZZICZUSDFRAIAP-UHFFFAOYSA-N	-1	0	253.254	2.390	40	5		CEBBRM
C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000005929380	170156557	/nfs/dbraw/zinc/15/65/57/170156557.db2.gz	DVEUGHYDGVMMPM-YFKPBYRVSA-N	-1	0	289.085	2.242	40	5		CEBBRM
COc1cc([N+](=O)[O-])cc(CCC(=O)[O-])c1OC(F)F	ZINC000078406341	177338770	/nfs/dbraw/zinc/33/87/70/177338770.db2.gz	AIADLMYWIZJLBU-UHFFFAOYSA-N	-1	0	291.206	2.222	40	5		CEBBRM
CC(C)CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036532265	361848488	/nfs/dbraw/zinc/84/84/88/361848488.db2.gz	YNWUKUXXOZCPIU-UHFFFAOYSA-N	-1	0	297.336	2.160	40	5		CEBBRM
O=C([O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000019270425	361524200	/nfs/dbraw/zinc/52/42/00/361524200.db2.gz	WURXVZKGXHXFRM-UHFFFAOYSA-N	-1	0	276.204	2.138	40	5		CEBBRM
O=C([O-])[C@@H]1CS[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000012428560	304137903	/nfs/dbraw/zinc/13/79/03/304137903.db2.gz	OGIOOLRVHUYVLO-DTWKUNHWSA-N	-1	0	288.712	2.036	40	5		CEBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccccn1	ZINC000408712485	375514135	/nfs/dbraw/zinc/51/41/35/375514135.db2.gz	SAPWTQGJQOTFRA-UHFFFAOYSA-N	-1	0	259.221	2.432	40	5		CEBBRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000007053274	170264347	/nfs/dbraw/zinc/26/43/47/170264347.db2.gz	TUNMFMYDTHIEFJ-UHFFFAOYSA-N	-1	0	297.292	2.000	40	5		CEBBRM
O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003194292	361266986	/nfs/dbraw/zinc/26/69/86/361266986.db2.gz	FQNJURYFUKRUDT-UHFFFAOYSA-N	-1	0	294.248	2.212	40	5		CEBBRM
Cc1ccc2c(ccc3ncc(C(=O)[O-])c(O)c32)n1	ZINC000218259919	370207070	/nfs/dbraw/zinc/20/70/70/370207070.db2.gz	PQBJQFGNODYDNJ-UHFFFAOYSA-N	-1	0	254.245	2.495	40	5		CEBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ncccn1	ZINC000005949436	304228300	/nfs/dbraw/zinc/22/83/00/304228300.db2.gz	ZNLXIKALJQUZPK-UHFFFAOYSA-N	-1	0	277.261	2.234	40	5		CEBBRM
CC(C)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000014827240	170646616	/nfs/dbraw/zinc/64/66/16/170646616.db2.gz	RNNCKYUTWDXPND-SNVBAGLBSA-N	-1	0	270.310	2.301	40	5		CEBBRM
Cc1cc(F)c2nc(C(=O)[O-])ccc2c1[N+](=O)[O-]	ZINC000085399944	301298212	/nfs/dbraw/zinc/29/82/12/301298212.db2.gz	KVPYYPXLBLNDGM-UHFFFAOYSA-N	-1	0	250.185	2.289	40	5		CEBBRM
Cc1cc(OCC(=O)[O-])c([N+](=O)[O-])c(C)c1Cl	ZINC000216909181	394452816	/nfs/dbraw/zinc/45/28/16/394452816.db2.gz	KJUPIRHKJVNVEF-UHFFFAOYSA-N	-1	0	259.645	2.328	40	5		CEBBRM
Cc1cc(-c2csc(N)n2)c([O-])c([N+](=O)[O-])c1	ZINC000019593592	301034314	/nfs/dbraw/zinc/03/43/14/301034314.db2.gz	JURADKCGRFKLDO-UHFFFAOYSA-N	-1	0	251.267	2.315	40	5		CEBBRM
CC(C)CO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127344	370285354	/nfs/dbraw/zinc/28/53/54/370285354.db2.gz	VTRXRXBACNNCLH-GFCCVEGCSA-N	-1	0	267.281	2.263	40	5		CEBBRM
CCCCOc1c(C(=O)[O-])cc(OC)cc1[N+](=O)[O-]	ZINC000225281033	370288181	/nfs/dbraw/zinc/28/81/81/370288181.db2.gz	BXKMUQWLJMOXIF-UHFFFAOYSA-N	-1	0	269.253	2.481	40	5		CEBBRM
O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005670891	170126171	/nfs/dbraw/zinc/12/61/71/170126171.db2.gz	DKFUATUDUHTAFE-UHFFFAOYSA-N	-1	0	286.671	2.442	40	5		CEBBRM
O=C([O-])CCc1nc2cccc3cccc([nH]c1=O)c32	ZINC000001654200	361215160	/nfs/dbraw/zinc/21/51/60/361215160.db2.gz	UCHKZAOMSIBYBA-UHFFFAOYSA-N	-1	0	268.272	2.094	40	5		CEBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000019384554	361530154	/nfs/dbraw/zinc/53/01/54/361530154.db2.gz	WBEMCGFLWOVSPE-UHFFFAOYSA-N	-1	0	290.231	2.447	40	5		CEBBRM
CC(C)COc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-]	ZINC000225278586	189746114	/nfs/dbraw/zinc/74/61/14/189746114.db2.gz	ONMDXBWXULEAHW-UHFFFAOYSA-N	-1	0	257.217	2.467	40	5		CEBBRM
CCCOc1c(C(=O)[O-])cc(OC)cc1[N+](=O)[O-]	ZINC000225280984	370288646	/nfs/dbraw/zinc/28/86/46/370288646.db2.gz	FIJMVQQMSBMADV-UHFFFAOYSA-N	-1	0	255.226	2.090	40	5		CEBBRM
Cc1nn([C@@H](C)CC(=O)[O-])c(C(F)F)c1[N+](=O)[O-]	ZINC000408716981	375516374	/nfs/dbraw/zinc/51/63/74/375516374.db2.gz	UHORHUADWAMBRT-BYPYZUCNSA-N	-1	0	263.200	2.073	40	5		CEBBRM
CC[C@H](C(=O)[O-])n1nc(C)c([N+](=O)[O-])c1C(F)F	ZINC000408717332	375517204	/nfs/dbraw/zinc/51/72/04/375517204.db2.gz	YODSNUXYAGFNJY-RXMQYKEDSA-N	-1	0	263.200	2.073	40	5		CEBBRM
O=C([O-])c1cc(F)c([N+](=O)[O-])cc1Br	ZINC000258839936	304224882	/nfs/dbraw/zinc/22/48/82/304224882.db2.gz	YHWXPVUSPPRQLC-UHFFFAOYSA-N	-1	0	264.006	2.195	40	5		CEBBRM
CCO/C(=C\c1cccc([N+](=O)[O-])c1)c1n[n-]c(=N)s1	ZINC000408718045	260027880	/nfs/dbraw/zinc/02/78/80/260027880.db2.gz	FHDDKEFRECLKLT-YFHOEESVSA-N	-1	0	292.320	2.393	40	5		CEBBRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000039956964	361990502	/nfs/dbraw/zinc/99/05/02/361990502.db2.gz	BIGZDVREYMBPRU-SNVBAGLBSA-N	-1	0	296.279	2.245	40	5		CEBBRM
O=C([O-])c1cnc(NC2CCCCC2)c([N+](=O)[O-])c1	ZINC000082048801	304278057	/nfs/dbraw/zinc/27/80/57/304278057.db2.gz	MUIFXFLGILBNPN-UHFFFAOYSA-N	-1	0	265.269	2.433	40	5		CEBBRM
O=[N+]([O-])c1cc(Cl)cc(-c2csnn2)c1[O-]	ZINC000010231847	361348407	/nfs/dbraw/zinc/34/84/07/361348407.db2.gz	RJTDVCIBFKQMFN-UHFFFAOYSA-N	-1	0	257.658	2.472	40	5		CEBBRM
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000019274669	361525100	/nfs/dbraw/zinc/52/51/00/361525100.db2.gz	MWXQEZJCOCIUQW-UHFFFAOYSA-N	-1	0	276.204	2.138	40	5		CEBBRM
Cn1nc(C(=O)[O-])c2c1nccc2-c1cccc([N+](=O)[O-])c1	ZINC000072339596	303043003	/nfs/dbraw/zinc/04/30/03/303043003.db2.gz	WEXSUPMOCTXKDZ-UHFFFAOYSA-N	-1	0	298.258	2.242	40	5		CEBBRM
CC(C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000034114023	361787043	/nfs/dbraw/zinc/78/70/43/361787043.db2.gz	RNNCKYUTWDXPND-JTQLQIEISA-N	-1	0	270.310	2.301	40	5		CEBBRM
O=C([O-])COc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000001661518	361215136	/nfs/dbraw/zinc/21/51/36/361215136.db2.gz	LEOSVWCQGFJFBG-UHFFFAOYSA-N	-1	0	266.036	2.365	40	5		CEBBRM
CC[C@@](C)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000005422801	170097669	/nfs/dbraw/zinc/09/76/69/170097669.db2.gz	BXHZCCUNEHGDKU-LLVKDONJSA-N	-1	0	283.240	2.168	40	5		CEBBRM
COc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000100690609	185722370	/nfs/dbraw/zinc/72/23/70/185722370.db2.gz	YPIRIIGZZRBDHC-UHFFFAOYSA-N	-1	0	291.181	2.308	40	5		CEBBRM
Cc1c(Br)c([O-])c(C=O)cc1[N+](=O)[O-]	ZINC000004290797	394455803	/nfs/dbraw/zinc/45/58/03/394455803.db2.gz	MECKKILDUVOQKH-UHFFFAOYSA-N	-1	0	260.043	2.184	40	5		CEBBRM
C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000005390006	170093809	/nfs/dbraw/zinc/09/38/09/170093809.db2.gz	DVEUGHYDGVMMPM-RXMQYKEDSA-N	-1	0	289.085	2.242	40	5		CEBBRM
CC(C)(C)OC(=O)n1[n-]c(=O)c2cc([N+](=O)[O-])ccc21	ZINC000089195673	278458934	/nfs/dbraw/zinc/45/89/34/278458934.db2.gz	WHHNBIREZAUGLJ-UHFFFAOYSA-N	-1	0	279.252	2.021	40	5		CEBBRM
O=c1oc2ccc(Br)cc2c([O-])c1[N+](=O)[O-]	ZINC000002573860	304819742	/nfs/dbraw/zinc/81/97/42/304819742.db2.gz	RASGTZZGBPNBLH-UHFFFAOYSA-N	-1	0	286.037	2.169	40	5		CEBBRM
O=C([O-])Cc1c(F)c(Br)ccc1[N+](=O)[O-]	ZINC000097447192	304087815	/nfs/dbraw/zinc/08/78/15/304087815.db2.gz	RPMCEGIMVKYLEN-UHFFFAOYSA-N	-1	0	278.033	2.124	40	5		CEBBRM
O=C([O-])CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005670888	170126386	/nfs/dbraw/zinc/12/63/86/170126386.db2.gz	QBNMVXTYEFMFPX-UHFFFAOYSA-N	-1	0	272.644	2.052	40	5		CEBBRM
O=C(C=C([O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000100690608	364549802	/nfs/dbraw/zinc/54/98/02/364549802.db2.gz	GTIVKTVGQXIZLH-UHFFFAOYSA-N	-1	0	261.155	2.299	40	5		CEBBRM
CC(C)O[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127164	370285482	/nfs/dbraw/zinc/28/54/82/370285482.db2.gz	YQDPITJVIYVKBZ-LLVKDONJSA-N	-1	0	253.254	2.016	40	5		CEBBRM
CCO/C(=C\c1ccc([N+](=O)[O-])cc1)c1n[n-]c(=N)s1	ZINC000408718171	260028020	/nfs/dbraw/zinc/02/80/20/260028020.db2.gz	NZAFGDDFVWMPNO-YFHOEESVSA-N	-1	0	292.320	2.393	40	5		CEBBRM
O=C([O-])c1cc(Oc2cccc([N+](=O)[O-])c2)ccn1	ZINC000038080322	174090093	/nfs/dbraw/zinc/09/00/93/174090093.db2.gz	SCJALURAVYTOIX-UHFFFAOYSA-N	-1	0	260.205	2.480	40	5		CEBBRM
CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000044200593	175153765	/nfs/dbraw/zinc/15/37/65/175153765.db2.gz	SNQAPIZRHVIGJD-UHFFFAOYSA-N	-1	0	290.069	2.240	40	5		CEBBRM
O=C([O-])c1cccnc1Nc1ccccc1[N+](=O)[O-]	ZINC000035288555	172105979	/nfs/dbraw/zinc/10/59/79/172105979.db2.gz	HCVJNLMETQTXQU-UHFFFAOYSA-N	-1	0	259.221	2.432	40	5		CEBBRM
COc1ccc(C(=O)[O-])c2c(=O)c3ccccc3[nH]c12	ZINC000005503162	295098596	/nfs/dbraw/zinc/09/85/96/295098596.db2.gz	RZGKCTSDFWAMKX-UHFFFAOYSA-N	-1	0	269.256	2.388	40	5		CEBBRM
Cc1c(F)cc2c(C(=O)[O-])ccnc2c1[N+](=O)[O-]	ZINC000085400005	394642532	/nfs/dbraw/zinc/64/25/32/394642532.db2.gz	NOUYMVXYSDUNQS-UHFFFAOYSA-N	-1	0	250.185	2.289	40	5		CEBBRM
CCOc1ccc2c(cccc2S(=O)(=O)[O-])c1[N+](=O)[O-]	ZINC000001848660	286570783	/nfs/dbraw/zinc/57/07/83/286570783.db2.gz	NXOILCKZRQMCRH-UHFFFAOYSA-N	-1	0	297.288	2.393	40	5		CEBBRM
CCCC[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)[O-]	ZINC000038328741	174139267	/nfs/dbraw/zinc/13/92/67/174139267.db2.gz	BQZBIATZHUXDFL-LBPRGKRZSA-N	-1	0	281.264	2.430	40	5		CEBBRM
O=C([O-])C1(c2ccccc2[N+](=O)[O-])CCC(=O)CC1	ZINC000090651110	304035032	/nfs/dbraw/zinc/03/50/32/304035032.db2.gz	HHHWBFKHAPRVLK-UHFFFAOYSA-N	-1	0	263.249	2.060	40	5		CEBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000019391217	361529863	/nfs/dbraw/zinc/52/98/63/361529863.db2.gz	IPFAGCOIDJIBTH-UHFFFAOYSA-N	-1	0	290.231	2.447	40	5		CEBBRM
COc1cc(C(=O)[O-])c(OCC(C)C)c([N+](=O)[O-])c1	ZINC000225281085	189745955	/nfs/dbraw/zinc/74/59/55/189745955.db2.gz	QGHADTWVUCSPPB-UHFFFAOYSA-N	-1	0	269.253	2.336	40	5		CEBBRM
COc1ccc(OC)c2nc3c(cccc3C(=O)[O-])nc12	ZINC000006745365	295185619	/nfs/dbraw/zinc/18/56/19/295185619.db2.gz	YNCYUUDRITZLAM-UHFFFAOYSA-N	-1	0	284.271	2.498	40	5		CEBBRM
Cc1cc(C(=O)NCCCCC(=O)[O-])cc(C)c1[N+](=O)[O-]	ZINC000004697280	170000718	/nfs/dbraw/zinc/00/07/18/170000718.db2.gz	TXFASSRCWZJKIS-UHFFFAOYSA-N	-1	0	294.307	2.196	40	5		CEBBRM
O=C([O-])Cc1csc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000020135998	171023402	/nfs/dbraw/zinc/02/34/02/171023402.db2.gz	JDKUREBRYQHTDU-UHFFFAOYSA-N	-1	0	279.277	2.422	40	5		CEBBRM
CCOC(=O)C=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002170413	169778760	/nfs/dbraw/zinc/77/87/60/169778760.db2.gz	MKHNWKZPVONWGU-UHFFFAOYSA-N	-1	0	271.656	2.384	40	5		CEBBRM
CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000007321749	260026638	/nfs/dbraw/zinc/02/66/38/260026638.db2.gz	PPIVIHGCBWSYDH-UHFFFAOYSA-N	-1	0	296.333	2.421	40	5		CEBBRM
O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccccc1Cl	ZINC000408717858	539289168	/nfs/dbraw/zinc/28/91/68/539289168.db2.gz	XZLHYEQSUFFRAL-UHFFFAOYSA-N	-1	0	281.655	2.191	40	5		CEBBRM
CCOCCCNc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000019845248	361560419	/nfs/dbraw/zinc/56/04/19/361560419.db2.gz	AWXHXSZTEFCNMA-UHFFFAOYSA-N	-1	0	268.269	2.132	40	5		CEBBRM
CCCC[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)[O-]	ZINC000038328742	174139472	/nfs/dbraw/zinc/13/94/72/174139472.db2.gz	BQZBIATZHUXDFL-GFCCVEGCSA-N	-1	0	281.264	2.430	40	5		CEBBRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000039956966	174179226	/nfs/dbraw/zinc/17/92/26/174179226.db2.gz	WBRGHOVFXZNGFI-SNVBAGLBSA-N	-1	0	296.279	2.245	40	5		CEBBRM
O=C([O-])COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001475608	361207427	/nfs/dbraw/zinc/20/74/27/361207427.db2.gz	QZJDITOLUYWTPM-UHFFFAOYSA-N	-1	0	265.143	2.077	40	5		CEBBRM
O=c1cc(-c2ccccc2)[n-]n1-c1ncccc1[N+](=O)[O-]	ZINC000016478007	361488670	/nfs/dbraw/zinc/48/86/70/361488670.db2.gz	PMHWCEWLSBXRHJ-UHFFFAOYSA-N	-1	0	282.259	2.131	40	5		CEBBRM
O=C([O-])c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001616948	304217806	/nfs/dbraw/zinc/21/78/06/304217806.db2.gz	GNFOSJATUOBGKN-UHFFFAOYSA-N	-1	0	280.114	2.220	40	5		CEBBRM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000000249005	169586561	/nfs/dbraw/zinc/58/65/61/169586561.db2.gz	XAONCQPPIVBVIO-UHFFFAOYSA-N	-1	0	284.318	2.457	40	5		CEBBRM
O=C([O-])Cc1c(Br)cc(F)cc1[N+](=O)[O-]	ZINC000224682931	540168650	/nfs/dbraw/zinc/16/86/50/540168650.db2.gz	OUNPENPDMDCHRG-UHFFFAOYSA-N	-1	0	278.033	2.124	40	5		CEBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1	ZINC000408721376	326822500	/nfs/dbraw/zinc/82/25/00/326822500.db2.gz	GLIRFDYXFLTJEG-YRNVUSSQSA-N	-1	0	299.242	2.035	40	5		CEBBRM
COc1ccc2cc3[nH]c(=O)cc([O-])c3cc2c1OC	ZINC000017105139	361504296	/nfs/dbraw/zinc/50/42/96/361504296.db2.gz	UZGGITVTWKKMDQ-UHFFFAOYSA-N	-1	0	271.272	2.404	40	5		CEBBRM
CCCO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000225127033	370285402	/nfs/dbraw/zinc/28/54/02/370285402.db2.gz	GDHSXQUHOPPYOO-NSHDSACASA-N	-1	0	253.254	2.017	40	5		CEBBRM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000008699154	170346236	/nfs/dbraw/zinc/34/62/36/170346236.db2.gz	MDWBEVONBWMBJG-SNVBAGLBSA-N	-1	0	296.279	2.245	40	5		CEBBRM
O=c1[n-]cc(Br)c(Cl)c1[N+](=O)[O-]	ZINC000098175531	304798443	/nfs/dbraw/zinc/79/84/43/304798443.db2.gz	YYNGSQUDIJQFAY-UHFFFAOYSA-N	-1	0	253.439	2.111	40	5		CEBBRM
O=C([O-])c1cn(Cc2ccc(Cl)cc2)nc1[N+](=O)[O-]	ZINC000408715699	230408548	/nfs/dbraw/zinc/40/85/48/230408548.db2.gz	COXYLUCCFHEQDO-UHFFFAOYSA-N	-1	0	281.655	2.191	40	5		CEBBRM
Cc1nn([C@H](C)CC(=O)[O-])c(C(F)F)c1[N+](=O)[O-]	ZINC000408716982	375516640	/nfs/dbraw/zinc/51/66/40/375516640.db2.gz	UHORHUADWAMBRT-SCSAIBSYSA-N	-1	0	263.200	2.073	40	5		CEBBRM
O=C([O-])c1cn(Cc2cccc(Cl)c2)nc1[N+](=O)[O-]	ZINC000408715635	375516513	/nfs/dbraw/zinc/51/65/13/375516513.db2.gz	CCYQLTPDIMULCZ-UHFFFAOYSA-N	-1	0	281.655	2.191	40	5		CEBBRM
O=C([O-])c1cc(F)c([N+](=O)[O-])c(Br)c1	ZINC000095830542	304224922	/nfs/dbraw/zinc/22/49/22/304224922.db2.gz	ICHPKCWPZIOJBU-UHFFFAOYSA-N	-1	0	264.006	2.195	40	5		CEBBRM
CC(C)(C)OC(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC000011919390	170458425	/nfs/dbraw/zinc/45/84/25/170458425.db2.gz	YCMITCOIYKPNDE-UHFFFAOYSA-N	-1	0	267.237	2.248	40	5		CEBBRM