smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000004580531	204148207	/nfs/dbraw/zinc/14/82/07/204148207.db2.gz	PZJJJMMHEZYACH-QGZVFWFLSA-N	-1	0	370.405	3.838	50	5		FHBARM
O=C([O-])COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1	ZINC000006566674	204253682	/nfs/dbraw/zinc/25/36/82/204253682.db2.gz	ZMUPWHPZINNZQZ-XBXARRHUSA-N	-1	0	350.330	3.777	50	5		FHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1	ZINC000100848898	206225083	/nfs/dbraw/zinc/22/50/83/206225083.db2.gz	MDNVPJUFFNDNOV-INIZCTEOSA-N	-1	0	357.797	3.948	50	5		FHBARM
Cc1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4[O-])cn3n2)cc1	ZINC000013362326	571323222	/nfs/dbraw/zinc/32/32/22/571323222.db2.gz	ASDIQMDIAQYXBN-UHFFFAOYSA-N	-1	0	374.356	3.550	50	5		FHBARM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000020491934	571329865	/nfs/dbraw/zinc/32/98/65/571329865.db2.gz	TUCRSHFQNTXKFQ-UHFFFAOYSA-N	-1	0	365.798	3.839	50	5		FHBARM
Cc1cc(C)c([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(C)c1	ZINC000020491944	571329869	/nfs/dbraw/zinc/32/98/69/571329869.db2.gz	HKOZTELELFIOAF-UHFFFAOYSA-N	-1	0	359.407	3.802	50	5		FHBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1Cl	ZINC000001508335	204011189	/nfs/dbraw/zinc/01/11/89/204011189.db2.gz	OTEQEJHTZMMJCN-UHFFFAOYSA-N	-1	0	355.133	3.852	50	5		FHBARM
O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004188308	204127608	/nfs/dbraw/zinc/12/76/08/204127608.db2.gz	SJBVSXRYQLUOKI-UHFFFAOYSA-N	-1	0	355.133	3.852	50	5		FHBARM
CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004581520	204148744	/nfs/dbraw/zinc/14/87/44/204148744.db2.gz	DMLRYCMHCRQZGL-KRWDZBQOSA-N	-1	0	370.405	3.838	50	5		FHBARM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000009116217	204353968	/nfs/dbraw/zinc/35/39/68/204353968.db2.gz	OKAYURKRUIDVKI-UHFFFAOYSA-N	-1	0	360.313	3.723	50	5		FHBARM
O=C([N-]c1nnc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])s1	ZINC000004275909	206175338	/nfs/dbraw/zinc/17/53/38/206175338.db2.gz	RHBCZLYSWPUSBG-UHFFFAOYSA-N	-1	0	350.743	3.612	50	5		FHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1cccc(Cl)c1	ZINC000100848899	206224739	/nfs/dbraw/zinc/22/47/39/206224739.db2.gz	MDNVPJUFFNDNOV-MRXNPFEDSA-N	-1	0	357.797	3.948	50	5		FHBARM
Cc1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000004653696	204152018	/nfs/dbraw/zinc/15/20/18/204152018.db2.gz	OMRXOSXCIWKPGG-CQSZACIVSA-N	-1	0	362.769	3.502	50	5		FHBARM
O=C([O-])c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1O	ZINC000004676931	204154639	/nfs/dbraw/zinc/15/46/39/204154639.db2.gz	UZJVRKCWSIBZBS-UHFFFAOYSA-N	-1	0	357.347	3.866	50	5		FHBARM
CCn1cc(C(=O)[O-])c(=O)c2cc(-c3ccc([N+](=O)[O-])o3)c(Cl)cc21	ZINC000005073749	204190882	/nfs/dbraw/zinc/19/08/82/204190882.db2.gz	DWXHUDQJCDWIQM-UHFFFAOYSA-N	-1	0	362.725	3.541	50	5		FHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1	ZINC000005090907	204191656	/nfs/dbraw/zinc/19/16/56/204191656.db2.gz	ISEWFCYYQIRWIW-UHFFFAOYSA-N	-1	0	360.363	3.710	50	5		FHBARM
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000008190175	204322264	/nfs/dbraw/zinc/32/22/64/204322264.db2.gz	BHTWDXBTTFHCOC-UHFFFAOYSA-N	-1	0	357.366	3.537	50	5		FHBARM
O=[N+]([O-])c1cc(SC(F)(F)F)cc(I)c1[O-]	ZINC000094986264	570451361	/nfs/dbraw/zinc/45/13/61/570451361.db2.gz	PUQBJOXESRBJIE-UHFFFAOYSA-N	-1	0	365.070	3.517	50	5		FHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)nc1	ZINC000047212124	570882789	/nfs/dbraw/zinc/88/27/89/570882789.db2.gz	KPYLCQIVFOWZBI-UHFFFAOYSA-N	-1	0	371.374	3.583	50	5		FHBARM
CCc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000020491958	571329845	/nfs/dbraw/zinc/32/98/45/571329845.db2.gz	JLADWTIWOGBVTB-UHFFFAOYSA-N	-1	0	359.407	3.748	50	5		FHBARM
O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2c1	ZINC000020491970	571329858	/nfs/dbraw/zinc/32/98/58/571329858.db2.gz	WHDOBKQKGGQZQY-UHFFFAOYSA-N	-1	0	369.761	3.669	50	5		FHBARM
CCCCOC(=O)c1ccc([N-]c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004321174	204132997	/nfs/dbraw/zinc/13/29/97/204132997.db2.gz	BDXPYUWAUUVMIK-UHFFFAOYSA-N	-1	0	360.326	3.599	50	5		FHBARM
COc1ccc(C(=O)c2c(C)oc3cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c32)cc1	ZINC000012731271	204487927	/nfs/dbraw/zinc/48/79/27/204487927.db2.gz	ZUBULJFKGJZPRN-UHFFFAOYSA-N	-1	0	372.289	3.503	50	5		FHBARM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)oc1C	ZINC000040158014	204896687	/nfs/dbraw/zinc/89/66/87/204896687.db2.gz	JLBZAOWROFITSQ-UHFFFAOYSA-N	-1	0	373.390	3.667	50	5		FHBARM
CC(C)(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c([O-])c([N+](=O)[O-])c1	ZINC000036038144	205002033	/nfs/dbraw/zinc/00/20/33/205002033.db2.gz	DYKSEUXUXPKOOU-UHFFFAOYSA-N	-1	0	359.338	3.758	50	5		FHBARM
O=C(CSCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035832786	571206251	/nfs/dbraw/zinc/20/62/51/571206251.db2.gz	XLDYRTAPKQIASS-UHFFFAOYSA-N	-1	0	352.799	3.826	50	5		FHBARM
CCN(c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(C)C	ZINC000003333818	204092252	/nfs/dbraw/zinc/09/22/52/204092252.db2.gz	ADEBENLWJQYPQJ-UHFFFAOYSA-N	-1	0	363.439	3.630	50	5		FHBARM
O=C([O-])c1ccc(N2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000004785162	204163508	/nfs/dbraw/zinc/16/35/08/204163508.db2.gz	JXGCEYLOTFRBKV-ZROIWOOFSA-N	-1	0	370.342	3.534	50	5		FHBARM
Cc1ccc(-c2cc(C(=O)[O-])c3cc4c(cc3n2)OCCO4)cc1[N+](=O)[O-]	ZINC000012941727	571322856	/nfs/dbraw/zinc/32/28/56/571322856.db2.gz	AGGBDQBRUGGULG-UHFFFAOYSA-N	-1	0	366.329	3.588	50	5		FHBARM
O=C([O-])[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1	ZINC000004672822	204153045	/nfs/dbraw/zinc/15/30/45/204153045.db2.gz	YKHSFKYHHLUMCK-LBPRGKRZSA-N	-1	0	362.769	3.520	50	5		FHBARM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000014256222	570522328	/nfs/dbraw/zinc/52/23/28/570522328.db2.gz	VDLFBNRGSNVJNO-UHFFFAOYSA-N	-1	0	350.396	3.528	50	5		FHBARM
Cc1nn(-c2ccccc2)c(C)c1[N-]c1ncc([N+](=O)[O-])c(NC2CC2)n1	ZINC000032824972	570816738	/nfs/dbraw/zinc/81/67/38/570816738.db2.gz	FAANKDWQRZDNKT-UHFFFAOYSA-N	-1	0	365.397	3.505	50	5		FHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1	ZINC000047212154	570882658	/nfs/dbraw/zinc/88/26/58/570882658.db2.gz	GDTYVFWQFPRJRK-UHFFFAOYSA-N	-1	0	371.374	3.583	50	5		FHBARM
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O	ZINC000004769279	571232390	/nfs/dbraw/zinc/23/23/90/571232390.db2.gz	OUTYSJWUIGIGQH-HIONPOMWSA-N	-1	0	360.366	3.634	50	5		FHBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000001741107	204018062	/nfs/dbraw/zinc/01/80/62/204018062.db2.gz	VXOKIQAXTKDIJJ-UHFFFAOYSA-N	-1	0	358.375	3.557	50	5		FHBARM
COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000005259916	204200014	/nfs/dbraw/zinc/20/00/14/204200014.db2.gz	BMMNIFQJYZRUGS-UHFFFAOYSA-N	-1	0	364.423	3.702	50	5		FHBARM
CSc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1	ZINC000004585611	206179812	/nfs/dbraw/zinc/17/98/12/206179812.db2.gz	YHMJALNTDKYDIN-UHFFFAOYSA-N	-1	0	362.392	3.681	50	5		FHBARM
O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000024976495	568527357	/nfs/dbraw/zinc/52/73/57/568527357.db2.gz	VSZFVROLKNZMCQ-GFCCVEGCSA-N	-1	0	366.732	3.584	50	5		FHBARM
O=[N+]([O-])c1ccc([O-])c(Nc2ncnc3ccc(Br)cc32)c1	ZINC000019792895	571327186	/nfs/dbraw/zinc/32/71/86/571327186.db2.gz	WQESQFPXLBRJRW-UHFFFAOYSA-N	-1	0	361.155	3.750	50	5		FHBARM
CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004148011	204125186	/nfs/dbraw/zinc/12/51/86/204125186.db2.gz	CVZBFXJDRZHTMC-UHFFFAOYSA-N	-1	0	350.396	3.575	50	5		FHBARM
O=C(Nc1ccccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000016101899	204631048	/nfs/dbraw/zinc/63/10/48/204631048.db2.gz	ZYRAIVMXFXGTBJ-UHFFFAOYSA-N	-1	0	371.574	3.969	50	5		FHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1	ZINC000000863325	206136571	/nfs/dbraw/zinc/13/65/71/206136571.db2.gz	NGGSJCOSJQQVGN-UHFFFAOYSA-N	-1	0	354.387	3.647	50	5		FHBARM
O=C([N-]c1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc([N+](=O)[O-])s1	ZINC000004107358	206169025	/nfs/dbraw/zinc/16/90/25/206169025.db2.gz	JXHSGQJTUZDQSR-UHFFFAOYSA-N	-1	0	370.390	3.837	50	5		FHBARM
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c([O-])cc(F)cc1F	ZINC000083862024	571054541	/nfs/dbraw/zinc/05/45/41/571054541.db2.gz	YNEQBKFMBOEEOM-UHFFFAOYSA-N	-1	0	356.712	3.504	50	5		FHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1	ZINC000012536061	571176064	/nfs/dbraw/zinc/17/60/64/571176064.db2.gz	XIJGVCNEOYHSAQ-UHFFFAOYSA-N	-1	0	362.407	3.717	50	5		FHBARM
CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccccc2oc1=O	ZINC000100015190	209207743	/nfs/dbraw/zinc/20/77/43/209207743.db2.gz	VABCILAOYCMVPS-OAHLLOKOSA-N	-1	0	353.330	3.518	50	5	world	FHBARM
Cc1ccc(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl	ZINC000004482293	207020786	/nfs/dbraw/zinc/02/07/86/207020786.db2.gz	JVXMGFUCFCSEMI-UHFFFAOYSA-N	-1	0	351.702	3.907	50	5		FHBARM
COC(=O)c1c([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCC2	ZINC000005334922	207094377	/nfs/dbraw/zinc/09/43/77/207094377.db2.gz	KMIIQDMCLSJZMD-UHFFFAOYSA-N	-1	0	363.351	3.583	50	5		FHBARM
COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000006647251	207150433	/nfs/dbraw/zinc/15/04/33/207150433.db2.gz	JUKNLLWBGPWIMP-UHFFFAOYSA-N	-1	0	374.777	3.505	50	5		FHBARM
Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)[O-])c1	ZINC000004719260	209424980	/nfs/dbraw/zinc/42/49/80/209424980.db2.gz	GHMVYDISJCVOPQ-KSSFIOAISA-N	-1	0	370.405	3.730	50	5		FHBARM
Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc(C)c1Cl	ZINC000004833016	207053174	/nfs/dbraw/zinc/05/31/74/207053174.db2.gz	GDGADPYAMHFZQX-UHFFFAOYSA-N	-1	0	350.758	3.588	50	5		FHBARM
O=C([O-])c1cc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])ccc1Cl	ZINC000004995784	207070644	/nfs/dbraw/zinc/07/06/44/207070644.db2.gz	PZCSJGLGEDZPKQ-UHFFFAOYSA-N	-1	0	360.709	3.796	50	5		FHBARM
O=C1c2ccccc2N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N1Cc1ccco1	ZINC000024210686	570624660	/nfs/dbraw/zinc/62/46/60/570624660.db2.gz	LURKLNYDUOPGDG-SFHVURJKSA-N	-1	0	365.345	3.660	50	5		FHBARM
O=C([N-]c1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])s1	ZINC000009828017	571119704	/nfs/dbraw/zinc/11/97/04/571119704.db2.gz	USTSWWYOKREJDZ-UHFFFAOYSA-N	-1	0	356.319	3.705	50	5		FHBARM
CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000036448971	571254972	/nfs/dbraw/zinc/25/49/72/571254972.db2.gz	IGLNZCLIUFJFRB-UHFFFAOYSA-N	-1	0	369.421	3.563	50	5		FHBARM
COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)cc1F	ZINC000031026856	571350319	/nfs/dbraw/zinc/35/03/19/571350319.db2.gz	PDKKWRTUXCOEHV-UHFFFAOYSA-N	-1	0	370.695	3.565	50	5		FHBARM
O=C([O-])COc1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)cc1	ZINC000098053798	209203805	/nfs/dbraw/zinc/20/38/05/209203805.db2.gz	ZMUPWHPZINNZQZ-YWEYNIOJSA-N	-1	0	350.330	3.777	50	5		FHBARM
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cnn(-c2ccc(Cl)cc2)c1	ZINC000097152259	209172107	/nfs/dbraw/zinc/17/21/07/209172107.db2.gz	FNIKFAQVILFAIE-BHQIHCQQSA-N	-1	0	370.752	3.698	50	5		FHBARM
CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(C(=O)[O-])ccc1O2	ZINC000004794779	207050178	/nfs/dbraw/zinc/05/01/78/207050178.db2.gz	RQCBHOWKKSRYHL-HXUWFJFHSA-N	-1	0	366.373	3.823	50	5		FHBARM
O=C([O-])COc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000006594514	207149321	/nfs/dbraw/zinc/14/93/21/207149321.db2.gz	USJPWHBKTPJQLT-FPYGCLRLSA-N	-1	0	356.359	3.838	50	5		FHBARM
O=C([O-])[C@H](CSCc1ccccc1)NSc1ccccc1[N+](=O)[O-]	ZINC000031719568	208015048	/nfs/dbraw/zinc/01/50/48/208015048.db2.gz	SRCCJCWCKMDQMO-ZDUSSCGKSA-N	-1	0	364.448	3.578	50	5		FHBARM
O=C([O-])CCCn1c2c(c(=S)nc1-c1cccc([N+](=O)[O-])c1)CCCC2	ZINC000000938424	571130478	/nfs/dbraw/zinc/13/04/78/571130478.db2.gz	CXGMVOSNHPPNFK-UHFFFAOYSA-N	-1	0	373.434	3.931	50	5		FHBARM
O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)nc2n[nH]c(-c3ccccc3)c21	ZINC000020134669	571328029	/nfs/dbraw/zinc/32/80/29/571328029.db2.gz	CFDYOBAHQGKAGA-UHFFFAOYSA-N	-1	0	360.329	3.898	50	5		FHBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000004014133	571354001	/nfs/dbraw/zinc/35/40/01/571354001.db2.gz	NAPHQZBWPMAZAP-UHFFFAOYSA-N	-1	0	357.149	3.868	50	5		FHBARM
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-]c1cc(Cl)ccc1Cl	ZINC000004014004	571354023	/nfs/dbraw/zinc/35/40/23/571354023.db2.gz	JWMFPDCOFMVYJL-UHFFFAOYSA-N	-1	0	371.136	3.652	50	5		FHBARM
O=C([O-])Cn1c2ccc(Br)cc2c2nc3ccccc3nc21	ZINC000004178146	207004783	/nfs/dbraw/zinc/00/47/83/207004783.db2.gz	ZNAVRVONVDRWTE-UHFFFAOYSA-N	-1	0	356.179	3.585	50	5		FHBARM
Cc1ccc(Nc2nc(=O)[n-]c(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008742048	207246218	/nfs/dbraw/zinc/24/62/18/207246218.db2.gz	MHSPQKLXVJNXJI-UHFFFAOYSA-N	-1	0	352.354	3.589	50	5		FHBARM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2O)cc1	ZINC000005197093	570631102	/nfs/dbraw/zinc/63/11/02/570631102.db2.gz	UWUQYSUSGIUBOC-LLVKDONJSA-N	-1	0	350.396	3.615	50	5		FHBARM
Cc1cccc2c(=O)n3cc(C(=O)c4ccccc4[O-])cc(Cl)c3nc12	ZINC000014187802	570811449	/nfs/dbraw/zinc/81/14/49/570811449.db2.gz	IMMKSZYCXKGGHF-UHFFFAOYSA-N	-1	0	364.788	3.746	50	5		FHBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1Cl	ZINC000001188171	571165354	/nfs/dbraw/zinc/16/53/54/571165354.db2.gz	CHDUIADFJMMORS-UHFFFAOYSA-N	-1	0	355.133	3.852	50	5		FHBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1F	ZINC000020627197	571331576	/nfs/dbraw/zinc/33/15/76/571331576.db2.gz	IBTCBEWOFLBUAG-UHFFFAOYSA-N	-1	0	371.198	3.903	50	5		FHBARM
CC(C)[C@@H](COC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-])c1ccccc1	ZINC000003136938	571345009	/nfs/dbraw/zinc/34/50/09/571345009.db2.gz	CIHMILYYXXTAAB-OAHLLOKOSA-N	-1	0	357.362	3.890	50	5		FHBARM
CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000004135303	571355957	/nfs/dbraw/zinc/35/59/57/571355957.db2.gz	NKCUHYRQMNPOBK-UHFFFAOYSA-N	-1	0	360.347	3.832	50	5		FHBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc(C(F)(F)F)c2)c2nonc21	ZINC000003879051	941341094	/nfs/dbraw/zinc/34/10/94/941341094.db2.gz	XFFWBQCYZYFXER-UHFFFAOYSA-N	-1	0	369.215	3.802	50	5		FHBARM
Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1[N+](=O)[O-]	ZINC000004689625	219597512	/nfs/dbraw/zinc/59/75/12/219597512.db2.gz	QBQRGKVPRPFFAB-CQSZACIVSA-N	-1	0	362.769	3.502	50	5		FHBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F	ZINC000004599694	207031162	/nfs/dbraw/zinc/03/11/62/207031162.db2.gz	ZQHBQTKWPFUUPP-UHFFFAOYSA-N	-1	0	365.169	3.842	50	5		FHBARM
Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000004653695	207035181	/nfs/dbraw/zinc/03/51/81/207035181.db2.gz	OMRXOSXCIWKPGG-AWEZNQCLSA-N	-1	0	362.769	3.502	50	5		FHBARM
Cc1cc(C)c(NC(=O)CSc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004727920	207043318	/nfs/dbraw/zinc/04/33/18/207043318.db2.gz	MWBTYZULVDAKEZ-UHFFFAOYSA-N	-1	0	360.391	3.641	50	5		FHBARM
O=C([O-])c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000011802876	207321870	/nfs/dbraw/zinc/32/18/70/207321870.db2.gz	HDVQWJBRBZWPRI-UHFFFAOYSA-N	-1	0	352.140	3.635	50	5		FHBARM
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000012029124	207334306	/nfs/dbraw/zinc/33/43/06/207334306.db2.gz	VVRYQOMFAGTUHY-UHFFFAOYSA-N	-1	0	357.149	3.625	50	5		FHBARM
COc1ccccc1N1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000015011162	570812899	/nfs/dbraw/zinc/81/28/99/570812899.db2.gz	DXNDQQFOORUHMR-DHDCSXOGSA-N	-1	0	372.358	3.550	50	5		FHBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000004537142	570819584	/nfs/dbraw/zinc/81/95/84/570819584.db2.gz	IHJSSZQEYOAFOI-UHFFFAOYSA-N	-1	0	355.133	3.852	50	5		FHBARM
COc1ccc([C@@H](C[N+](=O)[O-])Sc2ccccc2C(=O)[O-])cc1OC	ZINC000001462979	571115143	/nfs/dbraw/zinc/11/51/43/571115143.db2.gz	DXVDSSAASVVECM-MRXNPFEDSA-N	-1	0	363.391	3.512	50	5		FHBARM
O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003145111	571345084	/nfs/dbraw/zinc/34/50/84/571345084.db2.gz	OZBRVCDONOCNJK-UHFFFAOYSA-N	-1	0	372.120	3.768	50	5		FHBARM
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003187972	219491523	/nfs/dbraw/zinc/49/15/23/219491523.db2.gz	UFBIFLLBASDUOK-CSKARUKUSA-N	-1	0	365.345	3.554	50	5		FHBARM
Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)[O-])c1	ZINC000004719261	209423969	/nfs/dbraw/zinc/42/39/69/209423969.db2.gz	GHMVYDISJCVOPQ-KBXCAEBGSA-N	-1	0	370.405	3.730	50	5		FHBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000004014077	206998426	/nfs/dbraw/zinc/99/84/26/206998426.db2.gz	FWZCEFSYBLNDMM-UHFFFAOYSA-N	-1	0	372.120	3.768	50	5		FHBARM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(C(C)C)cc3)[n+]2[O-])c1	ZINC000004821908	207051270	/nfs/dbraw/zinc/05/12/70/207051270.db2.gz	IAWRSUHYJQHAOH-UHFFFAOYSA-N	-1	0	353.382	3.589	50	5		FHBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c3ccccc3cc3ccccc32)[nH]1	ZINC000083331836	208307425	/nfs/dbraw/zinc/30/74/25/208307425.db2.gz	HOTWMRORRVZVOV-KTKRTIGZSA-N	-1	0	359.341	3.861	50	5		FHBARM
O=C([O-])c1cc([N+](=O)[O-])c(Sc2cccc3cccnc32)c([N+](=O)[O-])c1	ZINC000003094743	571106870	/nfs/dbraw/zinc/10/68/70/571106870.db2.gz	HWWHHXUTRZYNBE-UHFFFAOYSA-N	-1	0	371.330	3.901	50	5		FHBARM
CC(=O)C[C@@H](c1ccccc1[N+](=O)[O-])c1c([O-])c2ccccc2oc1=O	ZINC000013657947	571110149	/nfs/dbraw/zinc/11/01/49/571110149.db2.gz	WCFYPFLSAIBZSA-AWEZNQCLSA-N	-1	0	353.330	3.518	50	5		FHBARM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2	ZINC000002512887	571323395	/nfs/dbraw/zinc/32/33/95/571323395.db2.gz	LPCHIYRMRVGBFU-UHFFFAOYSA-N	-1	0	352.799	3.538	50	5		FHBARM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2O)cc1	ZINC000005197142	206708747	/nfs/dbraw/zinc/70/87/47/206708747.db2.gz	UWUQYSUSGIUBOC-NSHDSACASA-N	-1	0	350.396	3.615	50	5		FHBARM
COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1[N+](=O)[O-]	ZINC000004980340	207068102	/nfs/dbraw/zinc/06/81/02/207068102.db2.gz	BHSJSLHXTPMHAY-UHFFFAOYSA-N	-1	0	358.375	3.557	50	5		FHBARM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(CCc2ccccc2)CC1	ZINC000036451960	208163520	/nfs/dbraw/zinc/16/35/20/208163520.db2.gz	LJKRLWZQXXZVDB-UHFFFAOYSA-N	-1	0	354.406	3.785	50	5		FHBARM
O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)cc([N+](=O)[O-])c1[O-]	ZINC000081225773	208944040	/nfs/dbraw/zinc/94/40/40/208944040.db2.gz	KWDJGIOMIPYYOO-UHFFFAOYSA-N	-1	0	363.635	3.943	50	5		FHBARM
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CCC2=O	ZINC000071770590	570512528	/nfs/dbraw/zinc/51/25/28/570512528.db2.gz	OUTYSJWUIGIGQH-PSGYZZSVSA-N	-1	0	360.366	3.634	50	5		FHBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F	ZINC000014399704	570525041	/nfs/dbraw/zinc/52/50/41/570525041.db2.gz	USCJNUIWKSHADR-UHFFFAOYSA-N	-1	0	360.313	3.723	50	5		FHBARM
O=C([O-])c1ccccc1C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000005092829	570583290	/nfs/dbraw/zinc/58/32/90/570583290.db2.gz	ZPLIZVYEMQQCPU-UHFFFAOYSA-N	-1	0	354.362	3.514	50	5		FHBARM
O=C(/C=C/c1cc([N+](=O)[O-])ccc1[O-])Nc1cccc(Br)c1	ZINC000035349208	571167238	/nfs/dbraw/zinc/16/72/38/571167238.db2.gz	LGZPVOYSOWLQBH-QPJJXVBHSA-N	-1	0	363.167	3.715	50	5		FHBARM
CC(C)(C)NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000020576225	571331163	/nfs/dbraw/zinc/33/11/63/571331163.db2.gz	YCAQDRCNAAYUFQ-UHFFFAOYSA-N	-1	0	371.349	3.715	50	5		FHBARM
CCCSc1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1	ZINC000004086635	571354979	/nfs/dbraw/zinc/35/49/79/571354979.db2.gz	MDNVARPZVPMQFT-UHFFFAOYSA-N	-1	0	358.832	3.854	50	5		FHBARM
CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000004580530	207029942	/nfs/dbraw/zinc/02/99/42/207029942.db2.gz	PZJJJMMHEZYACH-KRWDZBQOSA-N	-1	0	370.405	3.838	50	5		FHBARM
O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000005233984	207088834	/nfs/dbraw/zinc/08/88/34/207088834.db2.gz	YKKMSSJARGKHRO-UHFFFAOYSA-N	-1	0	352.302	3.805	50	5		FHBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3cccc(F)c3)[n-]n21	ZINC000005632274	207109292	/nfs/dbraw/zinc/10/92/92/207109292.db2.gz	LLDJLYPYFZXRTM-UHFFFAOYSA-N	-1	0	350.309	3.816	50	5		FHBARM
O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc([N+](=O)[O-])o1	ZINC000035586387	207222285	/nfs/dbraw/zinc/22/22/85/207222285.db2.gz	VZZFAHKITUDMSL-UHFFFAOYSA-N	-1	0	368.227	3.509	50	5		FHBARM
CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1	ZINC000000653876	568011025	/nfs/dbraw/zinc/01/10/25/568011025.db2.gz	SHCQXJYZKJDEEE-UHFFFAOYSA-N	-1	0	371.422	3.804	50	5		FHBARM
O=C([O-])c1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000104836162	570863400	/nfs/dbraw/zinc/86/34/00/570863400.db2.gz	GXLNKGYTGQCCLQ-JCGIZDLHSA-N	-1	0	354.362	3.928	50	5		FHBARM
CCC(C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)=C([O-])c1ccccc1	ZINC000198726608	571292087	/nfs/dbraw/zinc/29/20/87/571292087.db2.gz	KXOVRBJDOHDBBB-QGZVFWFLSA-N	-1	0	368.389	3.792	50	5		FHBARM
CC(C)[C@H](COC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-])c1ccccc1	ZINC000003136939	571344979	/nfs/dbraw/zinc/34/49/79/571344979.db2.gz	CIHMILYYXXTAAB-HNNXBMFYSA-N	-1	0	357.362	3.890	50	5		FHBARM
O=c1nc2n(-c3ccc4ccccc4c3)c3cccc(Cl)c3cc-2c(=O)[n-]1	ZINC000017198048	211181898	/nfs/dbraw/zinc/18/18/98/211181898.db2.gz	YJWPUGNKMHWZHR-UHFFFAOYSA-N	-1	0	373.799	3.985	50	5		FHBARM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1	ZINC000012848551	210999494	/nfs/dbraw/zinc/99/94/94/210999494.db2.gz	LDUPVCUJTAGBDY-CQSZACIVSA-N	-1	0	369.402	3.887	50	5		FHBARM
O=[N+]([O-])c1cc(Cl)cc(/C=C/c2ccc(CN3CCOCC3)cc2)c1[O-]	ZINC000067321407	221252018	/nfs/dbraw/zinc/25/20/18/221252018.db2.gz	OUGVBSWRVCIRGV-AATRIKPKSA-N	-1	0	374.824	3.956	50	5		FHBARM
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000097992381	222219098	/nfs/dbraw/zinc/21/90/98/222219098.db2.gz	JCDYKTHFYIJEFW-XFFZJAGNSA-N	-1	0	369.764	3.608	50	5		FHBARM
CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccccc2oc1=O	ZINC000100015192	222232134	/nfs/dbraw/zinc/23/21/34/222232134.db2.gz	VABCILAOYCMVPS-HNNXBMFYSA-N	-1	0	353.330	3.518	50	5	world	FHBARM
CC(C)c1ccc([N-]c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])cc1	ZINC000004822855	570516483	/nfs/dbraw/zinc/51/64/83/570516483.db2.gz	WOFOZBLPCJXTEF-UHFFFAOYSA-N	-1	0	373.800	3.934	50	5		FHBARM
COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000004984003	570571447	/nfs/dbraw/zinc/57/14/47/570571447.db2.gz	LAESYAYBPHLROH-UHFFFAOYSA-N	-1	0	366.417	3.870	50	5		FHBARM
CCOc1cccc2cc(-c3nc4ccc([N+](=O)[O-])cc4[n-]3)c(=O)oc21	ZINC000004370962	570765498	/nfs/dbraw/zinc/76/54/98/570765498.db2.gz	LRSJJABMEXKQNW-UHFFFAOYSA-N	-1	0	351.318	3.643	50	5		FHBARM
Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)[O-])c1	ZINC000004719258	571168311	/nfs/dbraw/zinc/16/83/11/571168311.db2.gz	GHMVYDISJCVOPQ-KDOFPFPSSA-N	-1	0	370.405	3.730	50	5		FHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])Nc1ccccc1Br	ZINC000003936850	571353353	/nfs/dbraw/zinc/35/33/53/571353353.db2.gz	MQBZVUNNWUIPMK-UHFFFAOYSA-N	-1	0	352.144	3.707	50	5	in-vivo	FHBARM
Cc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])cc1C	ZINC000012897269	211003565	/nfs/dbraw/zinc/00/35/65/211003565.db2.gz	ZDZVUAWSOIGJCK-AWEZNQCLSA-N	-1	0	360.341	3.548	50	5		FHBARM
CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1cc(C(=O)[O-])ccc1O2	ZINC000004794782	210563408	/nfs/dbraw/zinc/56/34/08/210563408.db2.gz	RQCBHOWKKSRYHL-FQEVSTJZSA-N	-1	0	366.373	3.823	50	5		FHBARM
CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004581519	210543169	/nfs/dbraw/zinc/54/31/69/210543169.db2.gz	DMLRYCMHCRQZGL-QGZVFWFLSA-N	-1	0	370.405	3.838	50	5		FHBARM
O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004868174	570553176	/nfs/dbraw/zinc/55/31/76/570553176.db2.gz	OFXHFMPLQZCKEH-UHFFFAOYSA-N	-1	0	359.451	3.624	50	5		FHBARM
CCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccccc2oc1=O	ZINC000005408258	570653488	/nfs/dbraw/zinc/65/34/88/570653488.db2.gz	KYNMKEMSEAXQAD-INIZCTEOSA-N	-1	0	367.357	3.908	50	5		FHBARM
O=C([N-]c1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])s1	ZINC000004330216	570702499	/nfs/dbraw/zinc/70/24/99/570702499.db2.gz	GMJBFZBSHCLIJJ-UHFFFAOYSA-N	-1	0	350.743	3.612	50	5		FHBARM
O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000012620713	571204044	/nfs/dbraw/zinc/20/40/44/571204044.db2.gz	GPTCWWQEGWVALD-LBPRGKRZSA-N	-1	0	364.810	3.921	50	5		FHBARM
O=C(c1cc(Cl)c2nc3ccccc3c(=O)n2c1)c1cc(F)ccc1[O-]	ZINC000014168563	211080268	/nfs/dbraw/zinc/08/02/68/211080268.db2.gz	CYBBWBNKPBLHQJ-UHFFFAOYSA-N	-1	0	368.751	3.577	50	5		FHBARM
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c4CC[C@H]3[C@H]1CCC2=O	ZINC000105035586	222363495	/nfs/dbraw/zinc/36/34/95/222363495.db2.gz	OUTYSJWUIGIGQH-XLVADTIASA-N	-1	0	360.366	3.634	50	5		FHBARM
CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccccc2oc1=O	ZINC000005408259	570653310	/nfs/dbraw/zinc/65/33/10/570653310.db2.gz	KYNMKEMSEAXQAD-MRXNPFEDSA-N	-1	0	367.357	3.908	50	5		FHBARM
Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)cs1	ZINC000012615597	571191481	/nfs/dbraw/zinc/19/14/81/571191481.db2.gz	SUDFMEWTFXKSJH-UHFFFAOYSA-N	-1	0	369.402	3.662	50	5		FHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)ccc1[O-]	ZINC000004014145	571353941	/nfs/dbraw/zinc/35/39/41/571353941.db2.gz	FUTVAINFFRUWFA-UHFFFAOYSA-N	-1	0	371.574	3.969	50	5		FHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000004014076	571354025	/nfs/dbraw/zinc/35/40/25/571354025.db2.gz	LFYOZJCGUQUJBA-UHFFFAOYSA-N	-1	0	372.120	3.768	50	5		FHBARM
Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000004289707	571357614	/nfs/dbraw/zinc/35/76/14/571357614.db2.gz	HYHGTFQKFHKDNH-UHFFFAOYSA-N	-1	0	354.815	3.974	50	5		FHBARM
O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004989768	210588600	/nfs/dbraw/zinc/58/86/00/210588600.db2.gz	CAISEHBUMJPCHG-GFCCVEGCSA-N	-1	0	362.769	3.520	50	5		FHBARM
O=C([O-])C[C@@H](NC(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000002426289	210398265	/nfs/dbraw/zinc/39/82/65/210398265.db2.gz	AMBZEKLFQDJAIM-CQSZACIVSA-N	-1	0	363.757	3.586	50	5		FHBARM
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1	ZINC000001196220	210333169	/nfs/dbraw/zinc/33/31/69/210333169.db2.gz	PHBXOXXAFHIMID-UHFFFAOYSA-N	-1	0	371.374	3.583	50	5		FHBARM
O=c1c2sc3ccc([N+](=O)[O-])cc3c2[n-]c(=S)n1Cc1cccnc1	ZINC000102724205	570836049	/nfs/dbraw/zinc/83/60/49/570836049.db2.gz	ZJXBPKSGCLXDNM-UHFFFAOYSA-N	-1	0	370.415	3.625	50	5		FHBARM
CSc1cccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)c1	ZINC000004585590	570852841	/nfs/dbraw/zinc/85/28/41/570852841.db2.gz	XKUXHGCASYHBSR-UHFFFAOYSA-N	-1	0	362.392	3.681	50	5		FHBARM
CSc1ccccc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)o1	ZINC000004585556	570852914	/nfs/dbraw/zinc/85/29/14/570852914.db2.gz	YDVGSYJUJRFTRZ-UHFFFAOYSA-N	-1	0	362.392	3.681	50	5		FHBARM
O=C([O-])COc1ccc(/C=C\c2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000098053787	932941745	/nfs/dbraw/zinc/94/17/45/932941745.db2.gz	USJPWHBKTPJQLT-BAQGIRSFSA-N	-1	0	356.359	3.838	50	5		FHBARM
O=C([O-])COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1	ZINC000016409203	220184503	/nfs/dbraw/zinc/18/45/03/220184503.db2.gz	OZUIFXYKOFNCJW-FPYGCLRLSA-N	-1	0	356.359	3.838	50	5		FHBARM
O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000024976488	211419546	/nfs/dbraw/zinc/41/95/46/211419546.db2.gz	VSZFVROLKNZMCQ-LBPRGKRZSA-N	-1	0	366.732	3.584	50	5		FHBARM
O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1	ZINC000072313299	571106919	/nfs/dbraw/zinc/10/69/19/571106919.db2.gz	KUTSTTSNLPGWON-UHFFFAOYSA-N	-1	0	371.574	3.969	50	5		FHBARM
O=C([O-])c1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000222280127	571121927	/nfs/dbraw/zinc/12/19/27/571121927.db2.gz	GXLNKGYTGQCCLQ-BMGDILEWSA-N	-1	0	354.362	3.928	50	5		FHBARM
O=C([O-])c1c(C(=O)Nc2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-]	ZINC000003669076	571352070	/nfs/dbraw/zinc/35/20/70/571352070.db2.gz	IIJIHXLFACGVFB-UHFFFAOYSA-N	-1	0	369.358	3.669	50	5		FHBARM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21	ZINC000020491906	211283883	/nfs/dbraw/zinc/28/38/83/211283883.db2.gz	BTDHKNIYBDNWKR-UHFFFAOYSA-N	-1	0	365.798	3.839	50	5		FHBARM
Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl	ZINC000020491986	211282907	/nfs/dbraw/zinc/28/29/07/211282907.db2.gz	ZHABZENFMPJUJP-UHFFFAOYSA-N	-1	0	365.798	3.839	50	5		FHBARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl	ZINC000095460473	570518319	/nfs/dbraw/zinc/51/83/19/570518319.db2.gz	YQXWFGFWARQNIY-UHFFFAOYSA-N	-1	0	354.815	3.920	50	5		FHBARM
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004989767	570571479	/nfs/dbraw/zinc/57/14/79/570571479.db2.gz	CAISEHBUMJPCHG-LBPRGKRZSA-N	-1	0	362.769	3.520	50	5		FHBARM
CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004581454	570849437	/nfs/dbraw/zinc/84/94/37/570849437.db2.gz	IBUOYHXPGONYFX-QGZVFWFLSA-N	-1	0	370.405	3.838	50	5		FHBARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c1	ZINC000079105400	571326980	/nfs/dbraw/zinc/32/69/80/571326980.db2.gz	GISSIQYDXJVIFK-UHFFFAOYSA-N	-1	0	357.391	3.561	50	5		FHBARM
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-]c1ccc(Cl)cc1Cl	ZINC000004014012	571354044	/nfs/dbraw/zinc/35/40/44/571354044.db2.gz	MDTNDLLUIUXKJZ-UHFFFAOYSA-N	-1	0	371.136	3.652	50	5		FHBARM
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000038311921	210186280	/nfs/dbraw/zinc/18/62/80/210186280.db2.gz	VVZSOZUVHDPYCD-GHXNOFRVSA-N	-1	0	369.402	3.633	50	5		FHBARM
O=C([O-])c1ccc(COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1	ZINC000020412587	211279857	/nfs/dbraw/zinc/27/98/57/211279857.db2.gz	VVGDKPAICMUBJI-UHFFFAOYSA-N	-1	0	362.337	3.929	50	5		FHBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000910509	210288041	/nfs/dbraw/zinc/28/80/41/210288041.db2.gz	PKCCFOXYWYHONG-UHFFFAOYSA-N	-1	0	355.133	3.852	50	5		FHBARM
O=C(c1cc(Cl)c2nc3ccccn3c(=O)c2c1)c1cc(F)ccc1[O-]	ZINC000007002998	568136805	/nfs/dbraw/zinc/13/68/05/568136805.db2.gz	ZXARTGMCQYANOZ-UHFFFAOYSA-N	-1	0	368.751	3.577	50	5		FHBARM
O=C([O-])c1cc([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000004660166	571155426	/nfs/dbraw/zinc/15/54/26/571155426.db2.gz	YYKJBUAKRHTPGZ-UHFFFAOYSA-N	-1	0	371.227	3.964	50	5		FHBARM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1	ZINC000033293724	571231209	/nfs/dbraw/zinc/23/12/09/571231209.db2.gz	DLNGYWXTCZQNBJ-OVCLIPMQSA-N	-1	0	374.349	3.676	50	5		FHBARM
O=C(CSc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004813916	571237686	/nfs/dbraw/zinc/23/76/86/571237686.db2.gz	AXYGLVIYIKZTHT-UHFFFAOYSA-N	-1	0	361.404	3.641	50	5		FHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccncc21	ZINC000095351442	571328860	/nfs/dbraw/zinc/32/88/60/571328860.db2.gz	YDZHWXFAECHGIK-UHFFFAOYSA-N	-1	0	363.782	3.597	50	5		FHBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000004014125	571354005	/nfs/dbraw/zinc/35/40/05/571354005.db2.gz	NYKNFXXMKMVDLE-UHFFFAOYSA-N	-1	0	372.120	3.768	50	5		FHBARM
COc1ccc([C@H](C[N+](=O)[O-])Sc2ccccc2C(=O)[O-])cc1OC	ZINC000001462980	210354600	/nfs/dbraw/zinc/35/46/00/210354600.db2.gz	DXVDSSAASVVECM-INIZCTEOSA-N	-1	0	363.391	3.512	50	5		FHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000100848900	222254910	/nfs/dbraw/zinc/25/49/10/222254910.db2.gz	KWQWGRNBVCVSSM-INIZCTEOSA-N	-1	0	357.797	3.948	50	5		FHBARM
CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004581455	570849427	/nfs/dbraw/zinc/84/94/27/570849427.db2.gz	IBUOYHXPGONYFX-KRWDZBQOSA-N	-1	0	370.405	3.838	50	5		FHBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000111926978	570943320	/nfs/dbraw/zinc/94/33/20/570943320.db2.gz	FAGSYWZZGPCSKH-UHFFFAOYSA-N	-1	0	361.295	3.765	50	5		FHBARM
O=C([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000222280075	571121906	/nfs/dbraw/zinc/12/19/06/571121906.db2.gz	GXLNKGYTGQCCLQ-ZTFGCOKTSA-N	-1	0	354.362	3.928	50	5		FHBARM
O=C([O-])[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1	ZINC000004672823	571157289	/nfs/dbraw/zinc/15/72/89/571157289.db2.gz	YKHSFKYHHLUMCK-GFCCVEGCSA-N	-1	0	362.769	3.520	50	5		FHBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1F	ZINC000006510004	571206130	/nfs/dbraw/zinc/20/61/30/571206130.db2.gz	HWQMWLGKVDYUCZ-UHFFFAOYSA-N	-1	0	365.169	3.842	50	5		FHBARM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000004809530	571237285	/nfs/dbraw/zinc/23/72/85/571237285.db2.gz	VWESZLIHNIBJEU-UHFFFAOYSA-N	-1	0	370.814	3.756	50	5		FHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F	ZINC000006623405	571237356	/nfs/dbraw/zinc/23/73/56/571237356.db2.gz	XRQPEGJDVMHRRK-UHFFFAOYSA-N	-1	0	364.276	3.554	50	5		FHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1	ZINC000002685685	571340354	/nfs/dbraw/zinc/34/03/54/571340354.db2.gz	OHNVNZAPDVXIAT-UHFFFAOYSA-N	-1	0	360.363	3.710	50	5		FHBARM
O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc([N+](=O)[O-])o1	ZINC000000830445	219327538	/nfs/dbraw/zinc/32/75/38/219327538.db2.gz	DOORHQWJCPTFKV-UHFFFAOYSA-N	-1	0	365.301	3.954	50	5		FHBARM
Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)[O-])c1	ZINC000004719259	219600787	/nfs/dbraw/zinc/60/07/87/219600787.db2.gz	GHMVYDISJCVOPQ-RDTXWAMCSA-N	-1	0	370.405	3.730	50	5		FHBARM
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@H]1CCC2=O	ZINC000105035582	222364247	/nfs/dbraw/zinc/36/42/47/222364247.db2.gz	OUTYSJWUIGIGQH-JTHWQDLVSA-N	-1	0	360.366	3.634	50	5		FHBARM
CC(C)c1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1	ZINC000004821955	570515293	/nfs/dbraw/zinc/51/52/93/570515293.db2.gz	VBISYSKVWMXSNN-UHFFFAOYSA-N	-1	0	373.800	3.934	50	5		FHBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1	ZINC000003328494	571347482	/nfs/dbraw/zinc/34/74/82/571347482.db2.gz	PIFBSFBBFLJWMP-UHFFFAOYSA-N	-1	0	368.414	3.986	50	5		FHBARM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1c1nc2ccccc2s1	ZINC000012848557	220035126	/nfs/dbraw/zinc/03/51/26/220035126.db2.gz	LDUPVCUJTAGBDY-AWEZNQCLSA-N	-1	0	369.402	3.887	50	5		FHBARM
O=C([O-])COc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1	ZINC000023779059	570544752	/nfs/dbraw/zinc/54/47/52/570544752.db2.gz	MJRYHJASTJESDO-QPJJXVBHSA-N	-1	0	350.330	3.777	50	5		FHBARM
COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000007057620	571259770	/nfs/dbraw/zinc/25/97/70/571259770.db2.gz	IVMIYEKMGZUIES-UHFFFAOYSA-N	-1	0	364.423	3.702	50	5		FHBARM
O=[N+]([O-])c1ccc([O-])cc1CSc1nnc(Cc2ccccc2F)o1	ZINC000239667154	571264941	/nfs/dbraw/zinc/26/49/41/571264941.db2.gz	BPDKNCOECUQGJJ-UHFFFAOYSA-N	-1	0	361.354	3.706	50	5		FHBARM
O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003145112	571345055	/nfs/dbraw/zinc/34/50/55/571345055.db2.gz	CPRUMISRSNDTKZ-UHFFFAOYSA-N	-1	0	372.120	3.768	50	5		FHBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c3ccccc3cc3ccccc32)[nH]1	ZINC000004180420	571356538	/nfs/dbraw/zinc/35/65/38/571356538.db2.gz	HOTWMRORRVZVOV-MDZDMXLPSA-N	-1	0	359.341	3.861	50	5		FHBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1	ZINC000012521396	220001828	/nfs/dbraw/zinc/00/18/28/220001828.db2.gz	CTOQUVWIJWJIIS-UHFFFAOYSA-N	-1	0	362.407	3.717	50	5		FHBARM
O=C([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000104836158	222361372	/nfs/dbraw/zinc/36/13/72/222361372.db2.gz	GXLNKGYTGQCCLQ-FHLIZLRMSA-N	-1	0	354.362	3.928	50	5		FHBARM
CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1	ZINC000005032056	570576595	/nfs/dbraw/zinc/57/65/95/570576595.db2.gz	KRSIJBYDDNIWIQ-UHFFFAOYSA-N	-1	0	354.345	3.618	50	5		FHBARM
O=C1c2ccccc2N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)N1Cc1ccco1	ZINC000024210679	570624623	/nfs/dbraw/zinc/62/46/23/570624623.db2.gz	LURKLNYDUOPGDG-GOSISDBHSA-N	-1	0	365.345	3.660	50	5		FHBARM
O=c1c2sc3ccc([N+](=O)[O-])cc3c2[n-]c(=S)n1Cc1ccco1	ZINC000102724019	570835984	/nfs/dbraw/zinc/83/59/84/570835984.db2.gz	PHFICGWEBWERCP-UHFFFAOYSA-N	-1	0	359.388	3.823	50	5		FHBARM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006623418	571237433	/nfs/dbraw/zinc/23/74/33/571237433.db2.gz	PRBALDYWAXMWEK-UHFFFAOYSA-N	-1	0	364.276	3.554	50	5		FHBARM
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000036230970	571245519	/nfs/dbraw/zinc/24/55/19/571245519.db2.gz	KQIGSECKWQNHKD-UHFFFAOYSA-N	-1	0	357.366	3.537	50	5		FHBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1F	ZINC000007405671	571265107	/nfs/dbraw/zinc/26/51/07/571265107.db2.gz	FNSSIHHVMOKOKK-UHFFFAOYSA-N	-1	0	365.169	3.842	50	5		FHBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1Cl	ZINC000012984746	220049351	/nfs/dbraw/zinc/04/93/51/220049351.db2.gz	DVURETBSICZYRC-UHFFFAOYSA-N	-1	0	365.169	3.842	50	5		FHBARM
CC(=O)C[C@H](c1ccccc1[N+](=O)[O-])c1c([O-])c2ccccc2oc1=O	ZINC000013657949	220081905	/nfs/dbraw/zinc/08/19/05/220081905.db2.gz	WCFYPFLSAIBZSA-CQSZACIVSA-N	-1	0	353.330	3.518	50	5		FHBARM
O=C1S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1	ZINC000015010132	220141553	/nfs/dbraw/zinc/14/15/53/220141553.db2.gz	DLNGYWXTCZQNBJ-NVNXTCNLSA-N	-1	0	374.349	3.676	50	5		FHBARM
O=C([O-])CCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000002978306	570545938	/nfs/dbraw/zinc/54/59/38/570545938.db2.gz	IXUQUZXFSJGBDN-UHFFFAOYSA-N	-1	0	360.391	3.939	50	5		FHBARM
COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000011861264	570597212	/nfs/dbraw/zinc/59/72/12/570597212.db2.gz	XSRPUGKKTHAUPW-QPJJXVBHSA-N	-1	0	363.753	3.934	50	5		FHBARM
CC(C)(C)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)on1	ZINC000005320950	570647061	/nfs/dbraw/zinc/64/70/61/570647061.db2.gz	ONIAZDYLDODGGH-UHFFFAOYSA-N	-1	0	353.762	3.551	50	5		FHBARM
Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1[N+](=O)[O-]	ZINC000004689624	571161600	/nfs/dbraw/zinc/16/16/00/571161600.db2.gz	QBQRGKVPRPFFAB-AWEZNQCLSA-N	-1	0	362.769	3.502	50	5		FHBARM
CCCOc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000007323982	571264413	/nfs/dbraw/zinc/26/44/13/571264413.db2.gz	URRQRGCHOOLQTF-UHFFFAOYSA-N	-1	0	364.423	3.801	50	5		FHBARM
O=[N+]([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2cccc3c2c1CC3	ZINC000007719115	571286474	/nfs/dbraw/zinc/28/64/74/571286474.db2.gz	IQQFVSWHTRNKRN-UHFFFAOYSA-N	-1	0	354.387	3.647	50	5		FHBARM
O=C([N-]c1nnc(-c2ccc(Cl)s2)o1)c1ccc([N+](=O)[O-])s1	ZINC000002641596	571339847	/nfs/dbraw/zinc/33/98/47/571339847.db2.gz	SKZZYQSEIDQRLU-UHFFFAOYSA-N	-1	0	356.772	3.674	50	5		FHBARM
O=C(Nc1cccc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003110411	219486783	/nfs/dbraw/zinc/48/67/83/219486783.db2.gz	KKNJVPHZNFPQNQ-UHFFFAOYSA-N	-1	0	353.290	3.614	50	5		FHBARM
CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000004755879	219604910	/nfs/dbraw/zinc/60/49/10/219604910.db2.gz	WDDSHNAQHRVIRM-ATVHPVEESA-N	-1	0	368.389	3.748	50	5		FHBARM
O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000012620710	220014344	/nfs/dbraw/zinc/01/43/44/220014344.db2.gz	GPTCWWQEGWVALD-GFCCVEGCSA-N	-1	0	364.810	3.921	50	5		FHBARM
O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013186886	220061119	/nfs/dbraw/zinc/06/11/19/220061119.db2.gz	NAJCSMJAAMEXIR-UHFFFAOYSA-N	-1	0	355.133	3.852	50	5		FHBARM
O=C([O-])c1cc(-c2ccccc2)nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020492268	220329891	/nfs/dbraw/zinc/32/98/91/220329891.db2.gz	VKHRDVBMSLOLKJ-UHFFFAOYSA-N	-1	0	360.329	3.898	50	5		FHBARM
CCOC(=O)CCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004582291	570849031	/nfs/dbraw/zinc/84/90/31/570849031.db2.gz	FRQVFXNBQLENFU-UHFFFAOYSA-N	-1	0	366.414	3.923	50	5		FHBARM
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)ccc1[O-]	ZINC000004014146	571191053	/nfs/dbraw/zinc/19/10/53/571191053.db2.gz	SXJSCCGBBWHBQL-UHFFFAOYSA-N	-1	0	371.574	3.969	50	5		FHBARM
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036329881	571248140	/nfs/dbraw/zinc/24/81/40/571248140.db2.gz	JCDYKTHFYIJEFW-YRNVUSSQSA-N	-1	0	369.764	3.608	50	5		FHBARM
Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc(C(=O)[O-])cc1	ZINC000253411885	571312388	/nfs/dbraw/zinc/31/23/88/571312388.db2.gz	PFSRHBICVMYSLN-UHFFFAOYSA-N	-1	0	359.341	3.939	50	5		FHBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3ccc(F)cc3)[n-]n21	ZINC000008829051	571320860	/nfs/dbraw/zinc/32/08/60/571320860.db2.gz	DUKUYCGQPVOCKR-UHFFFAOYSA-N	-1	0	350.309	3.816	50	5	aggregator	FHBARM
O=C([O-])c1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1	ZINC000002951552	571342886	/nfs/dbraw/zinc/34/28/86/571342886.db2.gz	KNKBICIWTJRTRC-UHFFFAOYSA-N	-1	0	359.337	3.897	50	5		FHBARM
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Br)cs1	ZINC000096893592	222136874	/nfs/dbraw/zinc/13/68/74/222136874.db2.gz	BMTQFQFBXGLGGN-UPHRSURJSA-N	-1	0	355.169	3.682	50	5		FHBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000100848902	222255174	/nfs/dbraw/zinc/25/51/74/222255174.db2.gz	KWQWGRNBVCVSSM-MRXNPFEDSA-N	-1	0	357.797	3.948	50	5		FHBARM
COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])c1	ZINC000005358325	570648707	/nfs/dbraw/zinc/64/87/07/570648707.db2.gz	VFUBQTBBVMTKEU-UHFFFAOYSA-N	-1	0	357.149	3.868	50	5		FHBARM
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000003145113	571345037	/nfs/dbraw/zinc/34/50/37/571345037.db2.gz	SSJBEVCOLKXLBC-UHFFFAOYSA-N	-1	0	372.120	3.768	50	5		FHBARM
CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000003832829	571352566	/nfs/dbraw/zinc/35/25/66/571352566.db2.gz	SQLZNFSDWRPIEJ-UHFFFAOYSA-N	-1	0	374.374	3.653	50	5		FHBARM
O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc([O-])c(Cl)c3)[n+]2[O-])c1	ZINC000067006375	948759794	/nfs/dbraw/zinc/75/97/94/948759794.db2.gz	XEKDBQIBLDCTFM-GQCTYLIASA-N	-1	0	369.764	3.820	50	5		FHBARM
Cc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])cc1C	ZINC000012897263	220039619	/nfs/dbraw/zinc/03/96/19/220039619.db2.gz	ZDZVUAWSOIGJCK-CQSZACIVSA-N	-1	0	360.341	3.548	50	5		FHBARM
CSc1cccc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1	ZINC000020491954	220329992	/nfs/dbraw/zinc/32/99/92/220329992.db2.gz	PQTPICKKEUEPAZ-UHFFFAOYSA-N	-1	0	363.420	3.599	50	5		FHBARM
CCN(CC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000065329811	221200230	/nfs/dbraw/zinc/20/02/30/221200230.db2.gz	KMDNVWKQUOSEME-UHFFFAOYSA-N	-1	0	371.349	3.668	50	5		FHBARM
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000069818068	221328505	/nfs/dbraw/zinc/32/85/05/221328505.db2.gz	VVZSOZUVHDPYCD-KPKJPENVSA-N	-1	0	369.402	3.633	50	5		FHBARM
O=c1c2sc3ccc([N+](=O)[O-])cc3c2[n-]c(=S)n1Cc1ccccn1	ZINC000102724025	570836105	/nfs/dbraw/zinc/83/61/05/570836105.db2.gz	PAQKAWFZXFEBKV-UHFFFAOYSA-N	-1	0	370.415	3.625	50	5		FHBARM
O=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000002426288	571321934	/nfs/dbraw/zinc/32/19/34/571321934.db2.gz	AMBZEKLFQDJAIM-AWEZNQCLSA-N	-1	0	363.757	3.586	50	5		FHBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c2ccncc21	ZINC000095348644	571328767	/nfs/dbraw/zinc/32/87/67/571328767.db2.gz	NCGBZZXODHJGOV-UHFFFAOYSA-N	-1	0	363.782	3.597	50	5		FHBARM