smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)c1	ZINC000261173961	717179028	/nfs/dbraw/zinc/17/90/28/717179028.db2.gz	UJPUVORABIHTSL-ZCVJKFOLSA-N	0	0	367.449	3.988	1	5		FHBFRN
CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001644317	204015052	/nfs/dbraw/zinc/01/50/52/204015052.db2.gz	KCXXIBBVMJMFOP-UHFFFAOYSA-N	0	0	361.206	3.727	1	5		FHBFRN
O=[N+]([O-])c1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1	ZINC000004199949	204127852	/nfs/dbraw/zinc/12/78/52/204127852.db2.gz	DJHQLUUIYVIMBK-UHFFFAOYSA-N	0	0	358.741	3.532	1	5		FHBFRN
COCOc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006483090	204249151	/nfs/dbraw/zinc/24/91/51/204249151.db2.gz	OSRAPSLHEARREC-UHFFFAOYSA-N	0	0	352.346	3.983	1	5		FHBFRN
COc1cc(-c2snnc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	ZINC000028820945	204889773	/nfs/dbraw/zinc/88/97/73/204889773.db2.gz	SXTFBZAQZKZUSZ-UHFFFAOYSA-N	0	0	373.390	3.806	1	5		FHBFRN
C[n+]1c2c(cc3ccccc31)[n-]c1cc([N+](=O)[O-])c(Br)cc12	ZINC000028826853	204890094	/nfs/dbraw/zinc/89/00/94/204890094.db2.gz	GUVANVKQJYIJDY-UHFFFAOYSA-O	0	0	357.187	3.970	1	5		FHBFRN
CCC(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1OC	ZINC000036380880	205012905	/nfs/dbraw/zinc/01/29/05/205012905.db2.gz	MVSDRWFMCCQNRB-INIZCTEOSA-N	0	0	371.418	3.829	3	5		FHBFRN
O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000040393649	205067723	/nfs/dbraw/zinc/06/77/23/205067723.db2.gz	YXKOPUFAIUHLSE-UHFFFAOYSA-N	0	0	372.431	3.844	1	5		FHBFRN
CCCSC(=O)COC(=O)c1c(=O)nc2c3cccc4cccc(c1-2)c34	ZINC000071296027	205426652	/nfs/dbraw/zinc/42/66/52/205426652.db2.gz	HDHRKOOZUAUIMT-UHFFFAOYSA-N	0	0	365.410	3.555	1	5		FHBFRN
CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000082157409	205648000	/nfs/dbraw/zinc/64/80/00/205648000.db2.gz	KYKRTLHOEFERDJ-HXUWFJFHSA-N	0	0	361.357	3.987	1	5		FHBFRN
COc1ccc([C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000095581093	205790826	/nfs/dbraw/zinc/79/08/26/205790826.db2.gz	YUZNDYLOYSEZMK-UONOGXRCSA-N	0	0	359.378	3.900	1	5		FHBFRN
O=[N+]([O-])c1ccc(N2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)c(F)c1	ZINC000034840892	132934859	/nfs/dbraw/zinc/93/48/59/132934859.db2.gz	PMIWDOREMKSHLN-AWEZNQCLSA-N	0	0	355.373	3.691	1	5		FHBFRN
COc1cc2oc3c(ccc(O)c3OC)c(=O)c2c(O)c1CC=C(C)C	ZINC000014763045	291077855	/nfs/dbraw/zinc/07/78/55/291077855.db2.gz	BSSWLUSDRBDPCW-UHFFFAOYSA-N	0	0	356.374	3.883	1	5	biogenic,in-vitro	FHBFRN
CCOC(=O)c1cc2cc(C)cc(C(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1	ZINC000001650334	204016346	/nfs/dbraw/zinc/01/63/46/204016346.db2.gz	YGXALZXRWGUHEO-UHFFFAOYSA-N	0	0	352.346	3.792	1	5		FHBFRN
COc1cc2c(cc1OC)c1c(OC)nc3ccccc3c1nc2OC	ZINC000066262672	205365570	/nfs/dbraw/zinc/36/55/70/205365570.db2.gz	CGRASHXMWXSNPU-UHFFFAOYSA-N	0	0	350.374	3.971	1	5		FHBFRN
C[N+](C)([O-])CCCN1c2ccccc2[S@](=O)c2ccc(Cl)cc21	ZINC000146800636	132252378	/nfs/dbraw/zinc/25/23/78/132252378.db2.gz	OJDQKXZCHZEEAO-HSZRJFAPSA-N	0	0	350.871	3.923	1	5		FHBFRN
O=c1c2sccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C1CC1	ZINC000002932281	204069089	/nfs/dbraw/zinc/06/90/89/204069089.db2.gz	NEEJPVMHTMSUTN-UHFFFAOYSA-N	0	0	359.432	3.993	1	5		FHBFRN
Cc1nn(-c2ccc(Cl)c([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12	ZINC000012405813	204459418	/nfs/dbraw/zinc/45/94/18/204459418.db2.gz	NYCYOLVZBKMLHM-UHFFFAOYSA-N	0	0	354.753	3.737	1	5		FHBFRN
C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000013478346	204532366	/nfs/dbraw/zinc/53/23/66/204532366.db2.gz	BKZVCBUXFZAITG-SFHVURJKSA-N	0	0	368.324	3.824	3	5		FHBFRN
C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000028022506	204873330	/nfs/dbraw/zinc/87/33/30/204873330.db2.gz	ZAIDIBQWPGBCIZ-INIZCTEOSA-N	0	0	366.826	3.730	1	5		FHBFRN
O=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)n1-c1ccccc1	ZINC000040894696	205084481	/nfs/dbraw/zinc/08/44/81/205084481.db2.gz	QZMFJFGKPYILFG-UHFFFAOYSA-N	0	0	365.392	3.641	1	5		FHBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1cccc(F)c1)C2	ZINC000045284617	205119657	/nfs/dbraw/zinc/11/96/57/205119657.db2.gz	ZRSCAZIRLZWZIL-INIZCTEOSA-N	0	0	369.352	3.575	1	5		FHBFRN
O=C(Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000049036253	205168717	/nfs/dbraw/zinc/16/87/17/205168717.db2.gz	FHHZXYLFASBEJJ-UHFFFAOYSA-N	0	0	361.257	3.836	1	5		FHBFRN
COc1cc(C=C2SC(=O)NC2=O)ccc1Oc1ccccc1[N+](=O)[O-]	ZINC000066075256	205363087	/nfs/dbraw/zinc/36/30/87/205363087.db2.gz	CRTRBRWOZKROSF-DHDCSXOGSA-N	0	0	372.358	3.720	1	5		FHBFRN
O=c1c2ccccc2[nH]c2cc(OC[C@H]3CS3)cc(OC[C@H]3CS3)c21	ZINC000049785911	221028281	/nfs/dbraw/zinc/02/82/81/221028281.db2.gz	RIOKGIAUZLEJON-STQMWFEESA-N	0	0	371.483	3.670	1	5		FHBFRN
CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@@+](C)([O-])[C@H]12	ZINC000253634268	717166330	/nfs/dbraw/zinc/16/63/30/717166330.db2.gz	PYNCZOMCQLYABK-GREBRCKQSA-N	0	0	353.422	3.679	1	5		FHBFRN
CCCN(CCC)C(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001616949	204014686	/nfs/dbraw/zinc/01/46/86/204014686.db2.gz	ZHDIAMKTJDJHLW-UHFFFAOYSA-N	0	0	363.292	3.784	1	5		FHBFRN
CC(C)(C)N1c2ccc([N+](=O)[O-])cc2C(c2ccccc2F)=NCC1=O	ZINC000013651903	204541535	/nfs/dbraw/zinc/54/15/35/204541535.db2.gz	IYVJCYRCXJQFOQ-UHFFFAOYSA-N	0	0	355.369	3.716	1	5		FHBFRN
CC[C@@H](C)CN1c2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NCC1=O	ZINC000026574862	204853451	/nfs/dbraw/zinc/85/34/51/204853451.db2.gz	DTVBGUMLZSCRSX-CQSZACIVSA-N	0	0	351.406	3.825	1	5		FHBFRN
C[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1	ZINC000038298766	205039600	/nfs/dbraw/zinc/03/96/00/205039600.db2.gz	LXLNTNGUPHKWBA-JTQLQIEISA-N	0	0	371.780	3.790	1	5		FHBFRN
COc1cc(OC[C@@H]2CO2)cc2c1c(=O)c1cc3ccccc3cc1n2C	ZINC000045299660	205118399	/nfs/dbraw/zinc/11/83/99/205118399.db2.gz	GTHUKXKFZVELCW-MRXNPFEDSA-N	0	0	361.397	3.631	1	5		FHBFRN
O=c1[nH]c(=O)c2c1c1c3cc(O)ccc3[nH]c1c1oc3ccccc3oc21	ZINC000058511226	205276284	/nfs/dbraw/zinc/27/62/84/205276284.db2.gz	VZAJNAMCAWDCMR-UHFFFAOYSA-N	0	0	358.309	3.721	1	5		FHBFRN
CCCc1cc(=O)oc2c1c1oc([N+](=O)[O-])cc1c1c2C(=O)C[C@@H](C)O1	ZINC000169342992	206252723	/nfs/dbraw/zinc/25/27/23/206252723.db2.gz	SGROMJOCHFNDQC-MRVPVSSYSA-N	0	0	357.318	3.754	1	5		FHBFRN
COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[N+]1(C)[O-]	ZINC000013372496	717108068	/nfs/dbraw/zinc/10/80/68/717108068.db2.gz	ZCBVLLQFNQAHBQ-IRXDYDNUSA-N	0	0	371.433	3.560	1	5		FHBFRN
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C	ZINC000014948515	717111146	/nfs/dbraw/zinc/11/11/46/717111146.db2.gz	GHYFEILIYSGWHS-GGGSXUAESA-N	0	0	367.449	3.988	1	5		FHBFRN
Cc1cc2c(c(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c1)NCCC2	ZINC000001642739	204015064	/nfs/dbraw/zinc/01/50/64/204015064.db2.gz	JYEHSMOFQIEQPL-UHFFFAOYSA-N	0	0	366.826	3.748	1	5		FHBFRN
COc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1O	ZINC000045289315	205119668	/nfs/dbraw/zinc/11/96/68/205119668.db2.gz	LABODZBRBSQHBW-XVNBXDOJSA-N	0	0	371.374	3.571	1	5		FHBFRN
O=c1c2cc3ccccc3nc2nc2sc3nc4ccccc4nc3n21	ZINC000049054262	205168164	/nfs/dbraw/zinc/16/81/64/205168164.db2.gz	QRUXTOMSEURFAD-UHFFFAOYSA-N	0	0	355.382	3.554	1	5		FHBFRN
CC(=O)Nc1c2ccccc2c2c3c1cccc3C([O-])=C(CC[NH+](C)C)C2=O	ZINC000049932133	205177052	/nfs/dbraw/zinc/17/70/52/205177052.db2.gz	ZXXHVPGSHYJQCC-GOSISDBHSA-N	0	0	374.440	3.898	1	5		FHBFRN
CC(C)c1ccc([S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1	ZINC000073162013	205567956	/nfs/dbraw/zinc/56/79/56/205567956.db2.gz	CTTVVMXBXWWNQS-QFIPXVFZSA-N	0	0	350.421	3.640	1	5		FHBFRN
COc1cc2cc3c4c(c(OC)c5c(c4c2cc1OC)OCO5)CCN3C	ZINC000014616200	132375094	/nfs/dbraw/zinc/37/50/94/132375094.db2.gz	NKLJXRAXPUMTJG-UHFFFAOYSA-N	0	0	367.401	3.740	1	5		FHBFRN
CCc1ccc(-n2cnc3c(sc4nccc([N+](C)(C)[O-])c43)c2=O)cc1	ZINC000013676183	717109422	/nfs/dbraw/zinc/10/94/22/717109422.db2.gz	FJYPFLTUEXXIGF-UHFFFAOYSA-N	0	0	366.446	3.623	1	5		FHBFRN
CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N+](C)([O-])[C@H]12	ZINC000014948512	717111130	/nfs/dbraw/zinc/11/11/30/717111130.db2.gz	PYNCZOMCQLYABK-ZTVINCFESA-N	0	0	353.422	3.679	1	5		FHBFRN
Cc1cccc2c1nc1ccccc1c2NC(=S)NC[C@H]1CCCO1	ZINC000045287976	205118554	/nfs/dbraw/zinc/11/85/54/205118554.db2.gz	BDEJUPNVDACVBV-CQSZACIVSA-N	0	0	351.475	3.584	1	5		FHBFRN
O=[N+]([O-])c1cnc(-n2ccnc2-c2ccccc2)nc1NC1CCCC1	ZINC000064531997	205300342	/nfs/dbraw/zinc/30/03/42/205300342.db2.gz	GJYXTKNRJUQBOU-UHFFFAOYSA-N	0	0	350.382	3.592	1	5		FHBFRN
O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCSCC4)cc3)C2)o1	ZINC000095560453	205788007	/nfs/dbraw/zinc/78/80/07/205788007.db2.gz	CRDZCUVZVGGYLQ-INIZCTEOSA-N	0	0	359.407	3.607	1	5		FHBFRN
O=[N+]([O-])c1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1	ZINC000169340302	206251957	/nfs/dbraw/zinc/25/19/57/206251957.db2.gz	USWACCOSSLXYJD-UHFFFAOYSA-N	0	0	353.363	3.609	1	5		FHBFRN
O=c1c2ccccc2[nH]c2cc(OC[C@@H]3CS3)cc(OC[C@H]3CS3)c21	ZINC000049785909	221027513	/nfs/dbraw/zinc/02/75/13/221027513.db2.gz	RIOKGIAUZLEJON-OLZOCXBDSA-N	0	0	371.483	3.670	1	5		FHBFRN
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)C3	ZINC000003797045	204110101	/nfs/dbraw/zinc/11/01/01/204110101.db2.gz	WFJRRXIAEUUFPW-GFCCVEGCSA-N	0	0	367.408	3.520	1	5		FHBFRN
Cc1nc(N2N=C(c3ccc(Cl)cc3)CCC2=O)sc1[N+](=O)[O-]	ZINC000005840638	204227463	/nfs/dbraw/zinc/22/74/63/204227463.db2.gz	OXOLJLXFPMAECC-UHFFFAOYSA-N	0	0	350.787	3.544	1	5		FHBFRN
CCOc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12	ZINC000002468578	132383611	/nfs/dbraw/zinc/38/36/11/132383611.db2.gz	HVCHTSBUUPXZAX-LIRRHRJNSA-N	0	0	369.377	3.763	1	5		FHBFRN
COc1ccc2c(c1OC)C[N+]1([O-])CCc3cc(OC)c(OC)cc3C1=C2	ZINC000006018940	717103496	/nfs/dbraw/zinc/10/34/96/717103496.db2.gz	RAHWKGBOIYHEHV-UHFFFAOYSA-N	0	0	369.417	3.603	1	5		FHBFRN
CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)N(CC)CC)cc1[N+](=O)[O-]	ZINC000005499313	204212190	/nfs/dbraw/zinc/21/21/90/204212190.db2.gz	FKPLXECOYMPKKJ-UHFFFAOYSA-N	0	0	366.418	3.611	1	5		FHBFRN
COc1ccc(-c2cc3nc(N(C)C[C@@H](C)O)c4ccccc4c3nn2)cc1	ZINC000028758024	204888771	/nfs/dbraw/zinc/88/87/71/204888771.db2.gz	PDVUVVRSLAJFCO-CQSZACIVSA-N	0	0	374.444	3.671	1	5		FHBFRN
CCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCC)cc3nc2c1	ZINC000040848725	205083582	/nfs/dbraw/zinc/08/35/82/205083582.db2.gz	JYXYTYVVBIHJOQ-UHFFFAOYSA-N	0	0	351.410	3.671	1	5		FHBFRN
O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)c(F)c1	ZINC000066077116	205362262	/nfs/dbraw/zinc/36/22/62/205362262.db2.gz	MHPKAHJZKZUWIJ-OALUTQOASA-N	0	0	353.353	3.914	1	5		FHBFRN
O=c1c2ccccc2[nH]c2cc(OC[C@H]3CS3)cc(OC[C@@H]3CS3)c21	ZINC000049785910	221027521	/nfs/dbraw/zinc/02/75/21/221027521.db2.gz	RIOKGIAUZLEJON-QWHCGFSZSA-N	0	0	371.483	3.670	1	5		FHBFRN
COc1cc2c(O)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C	ZINC000013434342	132375167	/nfs/dbraw/zinc/37/51/67/132375167.db2.gz	XTYGTYHSWAJTPX-UHFFFAOYSA-N	0	0	369.417	3.725	1	5	endogenous,in-man	FHBFRN
CN1c2ccc(Br)c3c(O)c4ccccc4c(c23)C(=N)C1=O	ZINC000004031277	132386208	/nfs/dbraw/zinc/38/62/08/132386208.db2.gz	CTKYVOOOLVPRSI-UHFFFAOYSA-N	0	0	355.191	3.805	1	5		FHBFRN
Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3=O	ZINC000005581660	207107450	/nfs/dbraw/zinc/10/74/50/207107450.db2.gz	KHNZAHCUOWJNCL-UHFFFAOYSA-N	0	0	353.381	3.860	1	5		FHBFRN
COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000095581094	209081466	/nfs/dbraw/zinc/08/14/66/209081466.db2.gz	YUZNDYLOYSEZMK-ZIAGYGMSSA-N	0	0	359.378	3.900	1	5		FHBFRN
COc1cc(CC[N+](C)(C)[O-])c2ccc3cc4c(cc3c2c1OC)OCO4	ZINC000014765576	717110899	/nfs/dbraw/zinc/11/08/99/717110899.db2.gz	WZFHIFOLMUWWNI-UHFFFAOYSA-N	0	0	369.417	3.856	1	5		FHBFRN
Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccccc2OC(F)(F)F)o1	ZINC000103281374	209250426	/nfs/dbraw/zinc/25/04/26/209250426.db2.gz	RRGUMVQIHPMLGR-UHFFFAOYSA-N	0	0	354.244	3.549	1	5		FHBFRN
Cn1c2nc3ccc(C(=O)[O-])cc3c-2c(NCC[NH+](C)C)c2ccccc21	ZINC000103146988	209247015	/nfs/dbraw/zinc/24/70/15/209247015.db2.gz	LKNRSLQLDNBEGC-UHFFFAOYSA-N	0	0	362.433	3.503	1	5		FHBFRN
C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000013682683	220084137	/nfs/dbraw/zinc/08/41/37/220084137.db2.gz	MAWOPMMGPNIJCZ-LJQANCHMSA-N	0	0	364.361	3.608	3	5		FHBFRN
O=c1oc(CCCO)cc2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc12	ZINC000036388792	208161130	/nfs/dbraw/zinc/16/11/30/208161130.db2.gz	YBNGZJJWQJREJV-VOTSOKGWSA-N	0	0	351.358	3.797	3	5		FHBFRN
O=[N+]([O-])c1ccc(OC2[C@H](n3ccnc3)CCC[C@H]2n2ccnc2)c(F)c1	ZINC000040393362	208251018	/nfs/dbraw/zinc/25/10/18/208251018.db2.gz	SMWAWEDWJSOCAH-HZPDHXFCSA-N	0	0	371.372	3.541	1	5		FHBFRN
O=C(c1ccccc1Br)n1ccnc1-c1cccc([N+](=O)[O-])c1	ZINC000043070226	208299950	/nfs/dbraw/zinc/29/99/50/208299950.db2.gz	HCJSBVUVOFJAGQ-UHFFFAOYSA-N	0	0	372.178	3.909	1	5		FHBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)cc1)C2	ZINC000045287742	208329539	/nfs/dbraw/zinc/32/95/39/208329539.db2.gz	YUHTXVNVEWITGE-KRWDZBQOSA-N	0	0	369.352	3.575	1	5		FHBFRN
COc1cc(/C(=C/c2cccc([N+](=O)[O-])c2)[C@H](C)O)cc(OC)c1OC	ZINC000071296500	208761159	/nfs/dbraw/zinc/76/11/59/208761159.db2.gz	XJURESJEPWDBSG-RGZVIEDOSA-N	0	0	359.378	3.542	1	5		FHBFRN
COc1ccc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000095581095	209081887	/nfs/dbraw/zinc/08/18/87/209081887.db2.gz	YUZNDYLOYSEZMK-KBPBESRZSA-N	0	0	359.378	3.900	1	5		FHBFRN
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-n1cnc(Cl)c1	ZINC000103235411	209248933	/nfs/dbraw/zinc/24/89/33/209248933.db2.gz	ZXCVQEINMHLZLB-UHFFFAOYSA-N	0	0	372.768	3.695	1	5		FHBFRN
COc1ccc2cc([C@H](c3ccc([N+](=O)[O-])cc3)n3cncn3)oc2c1	ZINC000013680632	220085160	/nfs/dbraw/zinc/08/51/60/220085160.db2.gz	YXCBVWXENGIHRM-SFHVURJKSA-N	0	0	350.334	3.579	1	5		FHBFRN
O=c1c2cc([N+](=O)[O-])ccc2n(Cc2ccccc2)n1Cc1ccccc1	ZINC000001647173	206890399	/nfs/dbraw/zinc/89/03/99/206890399.db2.gz	STOSUNWOWGFJLD-UHFFFAOYSA-N	0	0	359.385	3.808	1	5		FHBFRN
COc1cc2c(cc1OC)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2	ZINC000028826649	207975293	/nfs/dbraw/zinc/97/52/93/207975293.db2.gz	NVGCANQXJBHGKW-ZDUSSCGKSA-N	0	0	356.378	3.671	1	5		FHBFRN
[NH3+][C@H](Cc1cc(Cl)c(Cl)c(-c2cccc([N+](=O)[O-])c2)c1)C(=O)[O-]	ZINC000045392326	208333459	/nfs/dbraw/zinc/33/34/59/208333459.db2.gz	JQRAIGBULJUZQZ-CYBMUJFWSA-N	0	0	355.177	3.523	1	5		FHBFRN
CCN1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@@H](O)C1	ZINC000072317697	208832723	/nfs/dbraw/zinc/83/27/23/208832723.db2.gz	YDGQYKBAQLQULF-IBGZPJMESA-N	0	0	367.445	3.888	1	5		FHBFRN
O=Cc1c(-c2ccc(Br)c([N+](=O)[O-])c2)nc2sccn12	ZINC000073140407	208877499	/nfs/dbraw/zinc/87/74/99/208877499.db2.gz	OFPVHNNCGDOBRT-UHFFFAOYSA-N	0	0	352.169	3.546	1	5		FHBFRN
NS(=O)(=O)c1cc2nc(-c3ccccc3)n3c2c(c1)oc1ccccc13	ZINC000095589828	209083974	/nfs/dbraw/zinc/08/39/74/209083974.db2.gz	LHLUIAUCIXBUEA-UHFFFAOYSA-N	0	0	363.398	3.548	1	5		FHBFRN
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@+]3([O-])CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23	ZINC000299811139	717180608	/nfs/dbraw/zinc/18/06/08/717180608.db2.gz	GSSHMZUWXVVKBL-JPOOANNQSA-N	0	0	372.509	3.629	1	5		FHBFRN
COc1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1OC	ZINC000103209849	209248250	/nfs/dbraw/zinc/24/82/50/209248250.db2.gz	BNXNMJXWOWFWLZ-WEVVVXLNSA-N	0	0	355.350	3.667	1	5		FHBFRN
COc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000096914913	209161810	/nfs/dbraw/zinc/16/18/10/209161810.db2.gz	RVEPUONGYIWBJE-UHFFFAOYSA-N	0	0	351.380	3.780	1	5		FHBFRN
CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1	ZINC000006122398	207131116	/nfs/dbraw/zinc/13/11/16/207131116.db2.gz	HNUBEGYICBQZAF-JTQLQIEISA-N	0	0	373.434	3.522	1	5		FHBFRN
O=c1c2ccccc2sc2ccc(NCCCN3CCOCC3)cc21	ZINC000012476970	207383659	/nfs/dbraw/zinc/38/36/59/207383659.db2.gz	DKJYJIVDXWYERO-UHFFFAOYSA-N	0	0	354.475	3.549	3	5		FHBFRN
COc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000034640905	208104769	/nfs/dbraw/zinc/10/47/69/208104769.db2.gz	XAHIMGJZBSTTRA-PLNGDYQASA-N	0	0	360.322	3.699	1	5		FHBFRN
C[n+]1c2c3cc(Br)ccc3[nH]c2c(C(=O)[O-])c2ccccc21	ZINC000040876869	208271974	/nfs/dbraw/zinc/27/19/74/208271974.db2.gz	ACEUXOHYQNBYSH-UHFFFAOYSA-O	0	0	356.199	3.760	1	5		FHBFRN
Cc1cccc2c1nc1ccccc1c2NC(=S)NC[C@@H]1CCCO1	ZINC000045287974	208330411	/nfs/dbraw/zinc/33/04/11/208330411.db2.gz	BDEJUPNVDACVBV-AWEZNQCLSA-N	0	0	351.475	3.584	1	5		FHBFRN
C[C@@]1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O	ZINC000028978506	220591622	/nfs/dbraw/zinc/59/16/22/220591622.db2.gz	ODNSDCXUXSTFHQ-INIZCTEOSA-N	0	0	365.172	3.994	1	5		FHBFRN
O=c1nc(N2CCCCC2)sc2c1cc(C(F)(F)F)cc2[N+](=O)[O-]	ZINC000096910802	132226132	/nfs/dbraw/zinc/22/61/32/132226132.db2.gz	DLHZSYOVOWDIOD-UHFFFAOYSA-N	0	0	359.329	3.574	1	5		FHBFRN
O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCSCC4)cc3)C2)o1	ZINC000095560454	209080487	/nfs/dbraw/zinc/08/04/87/209080487.db2.gz	CRDZCUVZVGGYLQ-MRXNPFEDSA-N	0	0	359.407	3.607	1	5		FHBFRN
COc1ccc(CNc2ncnc3cc(OC)c([N+](=O)[O-])cc32)cc1Cl	ZINC000040406486	208252696	/nfs/dbraw/zinc/25/26/96/208252696.db2.gz	LBSAIKFIVXMTSX-UHFFFAOYSA-N	0	0	374.784	3.821	1	5		FHBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(F)cc1)C2	ZINC000045287606	208328697	/nfs/dbraw/zinc/32/86/97/208328697.db2.gz	IERKQNGDRRHJKL-INIZCTEOSA-N	0	0	369.352	3.575	1	5		FHBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(F)c3)c1)C2	ZINC000045300326	208329400	/nfs/dbraw/zinc/32/94/00/208329400.db2.gz	UJXRQRQMXGEGIN-KRWDZBQOSA-N	0	0	369.352	3.575	1	5		FHBFRN
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc21	ZINC000029404658	581101391	/nfs/dbraw/zinc/10/13/91/581101391.db2.gz	ZYYFYOJMSXGBHS-UHFFFAOYSA-N	0	0	360.388	3.793	1	5		FHBFRN
C[C@H]1C[N+]2([O-])[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@@H]1CC[C@H]3CCC=C3[C@@H]12	ZINC000238788460	717163702	/nfs/dbraw/zinc/16/37/02/717163702.db2.gz	PTOMOLGIAURSGE-CLLHUXTRSA-N	0	0	357.494	3.940	1	5		FHBFRN
O=c1oc2c3ccccc3ccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl	ZINC000169324322	209518864	/nfs/dbraw/zinc/51/88/64/209518864.db2.gz	KMJCDNXBHSYOGW-UHFFFAOYSA-N	0	0	368.732	3.659	1	5		FHBFRN
O=[N+]([O-])c1cccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)c1	ZINC000096269801	209148681	/nfs/dbraw/zinc/14/86/81/209148681.db2.gz	GBRFASBGKHUAKZ-QPJJXVBHSA-N	0	0	351.318	3.586	1	5		FHBFRN
O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1	ZINC000040918260	208274661	/nfs/dbraw/zinc/27/46/61/208274661.db2.gz	MXQSTURKDCSFOO-UHFFFAOYSA-N	0	0	352.371	3.940	1	5		FHBFRN
CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000082157404	208949883	/nfs/dbraw/zinc/94/98/83/208949883.db2.gz	RMDJFHZTBQLJGZ-HXUWFJFHSA-N	0	0	361.357	3.987	1	5		FHBFRN
O=[N+]([O-])[C@@]1(Br)C=C(C(F)(F)F)C=C[C@@H]1Oc1ccccc1	ZINC000086862144	208965479	/nfs/dbraw/zinc/96/54/79/208965479.db2.gz	RRUPEWOUKACGAR-RYUDHWBXSA-N	0	0	364.117	3.860	2	5		FHBFRN
CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1	ZINC000027996140	717115197	/nfs/dbraw/zinc/11/51/97/717115197.db2.gz	CLKSKUPMCRUICP-UHFFFAOYSA-N	0	0	360.458	3.845	1	5		FHBFRN
C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000169296495	209374768	/nfs/dbraw/zinc/37/47/68/209374768.db2.gz	IVZWWWWEWLNVOI-VVDPLQPHSA-N	0	0	369.377	3.730	1	5		FHBFRN
NC(=O)N1N=C(c2cccc3ccccc32)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000103215866	209248411	/nfs/dbraw/zinc/24/84/11/209248411.db2.gz	NWKGSAQRDLKUHD-IBGZPJMESA-N	0	0	360.373	3.978	1	5		FHBFRN
CC(=O)Nc1ccc(Br)cc1Sc1ncccc1[N+](=O)[O-]	ZINC000098082031	209204888	/nfs/dbraw/zinc/20/48/88/209204888.db2.gz	NTBNRLSFZRKXTH-UHFFFAOYSA-N	0	0	368.212	3.862	1	5		FHBFRN
CN1Cc2sc([N+](=O)[O-])cc2[C@H](c2ccc(Br)cc2)C1	ZINC000038157568	208198094	/nfs/dbraw/zinc/19/80/94/208198094.db2.gz	FRBBJNSSTGRZOS-LBPRGKRZSA-N	0	0	353.241	3.996	1	5		FHBFRN
CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc([N+](=O)[O-])cc1	ZINC000040934573	208274784	/nfs/dbraw/zinc/27/47/84/208274784.db2.gz	URANNUDQUCDZRM-UHFFFAOYSA-N	0	0	356.426	3.716	1	5		FHBFRN
O=C(c1ccccc1Br)n1ccnc1-c1ccc([N+](=O)[O-])cc1	ZINC000043015894	208299550	/nfs/dbraw/zinc/29/95/50/208299550.db2.gz	BEQFNMYGAIJWOI-UHFFFAOYSA-N	0	0	372.178	3.909	1	5		FHBFRN
Cc1nc2c(s1)-c1nc(N(C)c3cccc([N+](=O)[O-])c3)ncc1CC2	ZINC000045392226	208334540	/nfs/dbraw/zinc/33/45/40/208334540.db2.gz	VWRLUJJMDMLBIF-UHFFFAOYSA-N	0	0	353.407	3.683	1	5		FHBFRN
C[N+](C)([O-])CCCN1c2ccccc2[S@@](=O)c2ccc(Cl)cc21	ZINC000146800450	132252307	/nfs/dbraw/zinc/25/23/07/132252307.db2.gz	OJDQKXZCHZEEAO-QHCPKHFHSA-N	0	0	350.871	3.923	1	5		FHBFRN
O=c1c2ccccc2c2nc3ccccn3c2n1CCc1ccc(O)cc1	ZINC000103232335	209249791	/nfs/dbraw/zinc/24/97/91/209249791.db2.gz	QDTQSIQWBQSIJU-UHFFFAOYSA-N	0	0	355.397	3.751	1	5		FHBFRN
CN1Cc2sc([N+](=O)[O-])cc2[C@@H](c2ccc(Br)cc2)C1	ZINC000038157569	208199608	/nfs/dbraw/zinc/19/96/08/208199608.db2.gz	FRBBJNSSTGRZOS-GFCCVEGCSA-N	0	0	353.241	3.996	1	5		FHBFRN
CN(C)c1ccc(NC(=O)c2cnc3c4ccccc4ccc3c2O)cc1	ZINC000040955208	208275818	/nfs/dbraw/zinc/27/58/18/208275818.db2.gz	CWMZJCHELOYDSG-UHFFFAOYSA-N	0	0	357.413	4.000	1	5		FHBFRN
O=[N+]([O-])[C@@]1(Br)C=C(C(F)(F)F)C=C[C@H]1Oc1ccccc1	ZINC000086862143	208965135	/nfs/dbraw/zinc/96/51/35/208965135.db2.gz	RRUPEWOUKACGAR-NEPJUHHUSA-N	0	0	364.117	3.860	2	5		FHBFRN
CCOc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12	ZINC000002468577	132383563	/nfs/dbraw/zinc/38/35/63/132383563.db2.gz	HVCHTSBUUPXZAX-AUUYWEPGSA-N	0	0	369.377	3.763	1	5		FHBFRN
O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)s2)s1	ZINC000028523312	132918483	/nfs/dbraw/zinc/91/84/83/132918483.db2.gz	KZYHVUCYDQYTBN-UHFFFAOYSA-N	0	0	373.463	3.501	1	5		FHBFRN
O=[N+]([O-])c1ccc(N2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c(F)c1	ZINC000034840890	132934946	/nfs/dbraw/zinc/93/49/46/132934946.db2.gz	PMIWDOREMKSHLN-CQSZACIVSA-N	0	0	355.373	3.691	1	5		FHBFRN
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@@H]1N2C	ZINC000261101085	717178436	/nfs/dbraw/zinc/17/84/36/717178436.db2.gz	GHYFEILIYSGWHS-ZCVJKFOLSA-N	0	0	367.449	3.988	1	5		FHBFRN
CS(=O)(=O)c1ccc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000045196070	211811757	/nfs/dbraw/zinc/81/17/57/211811757.db2.gz	LSNJZASQHAKOMO-UHFFFAOYSA-N	0	0	369.402	3.804	1	5		FHBFRN
C[C@]1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O	ZINC000028978510	211502643	/nfs/dbraw/zinc/50/26/43/211502643.db2.gz	ODNSDCXUXSTFHQ-MRXNPFEDSA-N	0	0	365.172	3.994	1	5		FHBFRN
C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O	ZINC000020642560	211291401	/nfs/dbraw/zinc/29/14/01/211291401.db2.gz	NNYMXDBEWSHIPC-LLVKDONJSA-N	0	0	366.402	3.507	1	5		FHBFRN
COC(=O)c1cc2cc(OC)c(OC)cc2nc1-c1ccc([N+](=O)[O-])cc1	ZINC000014944893	211103551	/nfs/dbraw/zinc/10/35/51/211103551.db2.gz	ZHROVCLRKOLMGN-UHFFFAOYSA-N	0	0	368.345	3.614	1	5		FHBFRN
Cc1c(C)c(=O)oc2cc(OCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc12	ZINC000013835595	211061128	/nfs/dbraw/zinc/06/11/28/211061128.db2.gz	DQTHWPVVIBFRCG-UHFFFAOYSA-N	0	0	370.317	3.805	1	5		FHBFRN
O=[N+]([O-])c1ccccc1/C=C/c1nnc(-c2ccc3c(c2)OCCO3)o1	ZINC000096269802	222106916	/nfs/dbraw/zinc/10/69/16/222106916.db2.gz	VPPHMKQSXQXLTA-SOFGYWHQSA-N	0	0	351.318	3.586	1	5		FHBFRN
COc1ccc(-c2onc(NC(C)=O)c2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000103263309	222329338	/nfs/dbraw/zinc/32/93/38/222329338.db2.gz	LFELYNXCPZKQQO-UHFFFAOYSA-N	0	0	353.334	3.884	1	5		FHBFRN
COc1cc2c(cc1OC)C(=CC(=O)c1cccc([N+](=O)[O-])c1)NCC2	ZINC000101911711	222286639	/nfs/dbraw/zinc/28/66/39/222286639.db2.gz	FJKDNJWRGHTCGA-BOPFTXTBSA-N	0	0	354.362	3.556	1	5		FHBFRN
COc1ccc2c3c1Oc1cc(OC)c(OC)cc1C[C@@H]3[N+](C)([O-])CC2	ZINC000013412138	717107520	/nfs/dbraw/zinc/10/75/20/717107520.db2.gz	IQHCYCSHXVCTTI-YXWRBFHGSA-N	0	0	357.406	3.602	1	5		FHBFRN
C[N+](C)([O-])c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c21	ZINC000040867245	717128089	/nfs/dbraw/zinc/12/80/89/717128089.db2.gz	LUSCBQWWFRINMZ-UHFFFAOYSA-N	0	0	358.467	3.966	1	5		FHBFRN
Cn1c(=O)c2c3c4cc(O)ccc4[nH]c3c3oc4ccccc4oc3c2c1=O	ZINC000058506782	212012227	/nfs/dbraw/zinc/01/22/27/212012227.db2.gz	VBPGSPHOJZRUFH-UHFFFAOYSA-N	0	0	372.336	3.731	1	5		FHBFRN
COc1ccc(-c2nnc(-c3c(F)c(F)ccc3[N+](=O)[O-])o2)c(F)c1	ZINC000049112491	211886461	/nfs/dbraw/zinc/88/64/61/211886461.db2.gz	JPDMEVRSFLPTSW-UHFFFAOYSA-N	0	0	351.240	3.738	1	5		FHBFRN
C[C@H]1C(=O)[C@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013151700	211026105	/nfs/dbraw/zinc/02/61/05/211026105.db2.gz	IVZWWWWEWLNVOI-GWIYSAMLSA-N	0	0	369.377	3.730	1	5		FHBFRN
COc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(OC)c1	ZINC000002716186	210415751	/nfs/dbraw/zinc/41/57/51/210415751.db2.gz	QQRNWVHTGXOENQ-UHFFFAOYSA-N	0	0	359.381	3.521	3	5		FHBFRN
CC1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1	ZINC000096910804	132226205	/nfs/dbraw/zinc/22/62/05/132226205.db2.gz	LGJZMRCSSQDEGO-UHFFFAOYSA-N	0	0	373.356	3.820	1	5		FHBFRN
Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)([O-])[C@@H]2N3C)cc1	ZINC000261085385	717178465	/nfs/dbraw/zinc/17/84/65/717178465.db2.gz	CMPDHSGHPWRRMQ-PTLVVNQVSA-N	0	0	367.449	3.988	1	5		FHBFRN
CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@+](C)([O-])[C@H]12	ZINC000261155898	717179211	/nfs/dbraw/zinc/17/92/11/717179211.db2.gz	PYNCZOMCQLYABK-LEDOBFOHSA-N	0	0	353.422	3.679	1	5		FHBFRN
COc1ccc2c(c1)[nH]c1c2c2c(c3c4c(ccn4C)ccc13)C(=O)NC2=O	ZINC000000594538	210250532	/nfs/dbraw/zinc/25/05/32/210250532.db2.gz	IDMVFJGVCOXLGH-UHFFFAOYSA-N	0	0	369.380	3.858	1	5		FHBFRN
Nc1nc(Nc2ccccc2[N+](=O)[O-])ccc1C(=O)c1c(F)cccc1F	ZINC000014945637	211104788	/nfs/dbraw/zinc/10/47/88/211104788.db2.gz	RKSUYNPOOOLLOS-UHFFFAOYSA-N	0	0	370.315	3.825	1	5		FHBFRN
COc1cc2c(cc1OC)c1c(Cl)nc3ccccc3c1n(C)c2=O	ZINC000066262665	221244053	/nfs/dbraw/zinc/24/40/53/221244053.db2.gz	ZQTXCKRVZFAKFY-UHFFFAOYSA-N	0	0	354.793	3.911	1	5		FHBFRN
COc1cc(/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)O)cc(OC)c1OC	ZINC000071316018	221342065	/nfs/dbraw/zinc/34/20/65/221342065.db2.gz	MRYPBVPOPVOXOJ-RGZVIEDOSA-N	0	0	359.378	3.542	1	5		FHBFRN
O=C(Cn1c2ccccc2nc1-c1ccccn1)c1ccc([N+](=O)[O-])cc1	ZINC000073222099	221561627	/nfs/dbraw/zinc/56/16/27/221561627.db2.gz	CTEOJQGHYWPXFG-UHFFFAOYSA-N	0	0	358.357	3.889	1	5		FHBFRN
O=[N+]([O-])c1ccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1	ZINC000096269800	222106797	/nfs/dbraw/zinc/10/67/97/222106797.db2.gz	XKWMOCQPQWTQIW-FPYGCLRLSA-N	0	0	351.318	3.586	1	5		FHBFRN
Nc1ccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)cc1	ZINC000096915908	222138418	/nfs/dbraw/zinc/13/84/18/222138418.db2.gz	MHKWJWZUIGOANW-UHFFFAOYSA-N	0	0	357.204	3.711	1	5		FHBFRN
C[C@@H]1C[N+]2([O-])[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@H]1CC[C@H]3CCC=C3[C@@H]12	ZINC000038288523	717126017	/nfs/dbraw/zinc/12/60/17/717126017.db2.gz	PTOMOLGIAURSGE-WUAOOJMUSA-N	0	0	357.494	3.940	1	5		FHBFRN
CO[C@@H]1CC=C2N(c3ccc([N+](=O)[O-])cc3)C(=O)C[C@]2(c2ccccc2)O1	ZINC000064491753	212038317	/nfs/dbraw/zinc/03/83/17/212038317.db2.gz	RPGLWXHBFRNKMG-VQTJNVASSA-N	0	0	366.373	3.504	1	5		FHBFRN
Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C	ZINC000053226761	211916552	/nfs/dbraw/zinc/91/65/52/211916552.db2.gz	SQRBULDMAYBTJT-KRWDZBQOSA-N	0	0	354.435	3.606	1	5		FHBFRN
C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(c(F)c(F)c(F)c2F)C1=O	ZINC000026724122	211451411	/nfs/dbraw/zinc/45/14/11/211451411.db2.gz	LMPBCAWBSORYSZ-ZCFIWIBFSA-N	0	0	368.242	3.508	1	5		FHBFRN
CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccncc1	ZINC000014970308	211108981	/nfs/dbraw/zinc/10/89/81/211108981.db2.gz	QUJVGGWCNKXSBP-UHFFFAOYSA-N	0	0	357.413	3.741	1	5		FHBFRN
CCOC(=O)c1c(N)sc(Br)c1-c1cccc([N+](=O)[O-])c1	ZINC000013518399	211037637	/nfs/dbraw/zinc/03/76/37/211037637.db2.gz	WPOAWHRKIDSPCN-UHFFFAOYSA-N	0	0	371.212	3.845	1	5		FHBFRN
O=[N+]([O-])c1ccc(OC2[C@H](n3ccnc3)CCC[C@@H]2n2ccnc2)c(F)c1	ZINC000101546067	222277843	/nfs/dbraw/zinc/27/78/43/222277843.db2.gz	SMWAWEDWJSOCAH-BYICEURKSA-N	0	0	371.372	3.541	1	5		FHBFRN
CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])cc2)S3)n1	ZINC000064446997	212037200	/nfs/dbraw/zinc/03/72/00/212037200.db2.gz	PJDAVMODXGXTKN-CYBMUJFWSA-N	0	0	374.451	3.781	1	5		FHBFRN
C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013151698	220059376	/nfs/dbraw/zinc/05/93/76/220059376.db2.gz	IVZWWWWEWLNVOI-RHMWETHNSA-N	0	0	369.377	3.730	1	5		FHBFRN
COc1ccc2c(CN3CCCC(=O)C3)cc3cc4c(cc3c2c1)OCO4	ZINC000043059188	211786935	/nfs/dbraw/zinc/78/69/35/211786935.db2.gz	DAJYJDAMZUMHJA-UHFFFAOYSA-N	0	0	363.413	3.895	1	5		FHBFRN
CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1cccnc1	ZINC000014970304	211108251	/nfs/dbraw/zinc/10/82/51/211108251.db2.gz	YYEOSFROTOAGCS-UHFFFAOYSA-N	0	0	357.413	3.741	1	5		FHBFRN
COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3c(c21)C(=O)NC3=O	ZINC000013519384	211037661	/nfs/dbraw/zinc/03/76/61/211037661.db2.gz	RPSCADUVKLRNEB-UHFFFAOYSA-N	0	0	355.353	3.848	1	5		FHBFRN
CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+](=O)[O-]	ZINC000013491687	211035452	/nfs/dbraw/zinc/03/54/52/211035452.db2.gz	OXRWXRTYMZEFKF-UHFFFAOYSA-N	0	0	351.815	3.683	1	5		FHBFRN
COc1cc2c3ccc4cc5c(cc4c3n(C)c(=O)c2cc1OC)OCO5	ZINC000001721695	210367622	/nfs/dbraw/zinc/36/76/22/210367622.db2.gz	TVYBYUSEIMYSFA-UHFFFAOYSA-N	0	0	363.369	3.591	1	5	biogenic,in-vitro	FHBFRN
O=c1[nH]c2ccccc2c(=O)oc(Cc2ccccc2)nc2ccccc21	ZINC000001663609	210365795	/nfs/dbraw/zinc/36/57/95/210365795.db2.gz	YXSMRSMZKUSATF-UHFFFAOYSA-N	0	0	356.381	3.745	1	5		FHBFRN
COc1oc(=O)c2cc(NCc3ccccc3[N+](=O)[O-])ccc2c1Cl	ZINC000095591345	221966712	/nfs/dbraw/zinc/96/67/12/221966712.db2.gz	PJECIQUKJXDVRE-UHFFFAOYSA-N	0	0	360.753	3.975	1	5		FHBFRN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1	ZINC000103177671	222323036	/nfs/dbraw/zinc/32/30/36/222323036.db2.gz	XRLKRLRQZHZGFH-UHFFFAOYSA-N	0	0	364.276	3.554	1	5		FHBFRN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn2c1nc(C1CC1)cc2C(F)F	ZINC000102225449	222292061	/nfs/dbraw/zinc/29/20/61/222292061.db2.gz	WFCTUWCTLULDLZ-UHFFFAOYSA-N	0	0	373.319	3.623	1	5		FHBFRN
O=c1oc2c3ccccc3ccc2c(=O)n1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000169324330	222560951	/nfs/dbraw/zinc/56/09/51/222560951.db2.gz	UMALSCAYQNIHEN-UHFFFAOYSA-N	0	0	368.732	3.659	1	5		FHBFRN
COc1cc2c(cc1O)oc1cc(OC)c(CC=C(C)C)c(O)c1c2=O	ZINC000014763068	291077442	/nfs/dbraw/zinc/07/74/42/291077442.db2.gz	VEQACXWBQPLDPZ-UHFFFAOYSA-N	0	0	356.374	3.883	1	5	biogenic,in-vitro	FHBFRN
CS(=O)(=O)Nc1ccc(Nc2cc3cncnc3c3ccccc23)cc1	ZINC000066065926	221239581	/nfs/dbraw/zinc/23/95/81/221239581.db2.gz	QGVGDVLOAKFFKW-UHFFFAOYSA-N	0	0	364.430	3.898	1	5		FHBFRN
C[C@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O2	ZINC000002498679	132383552	/nfs/dbraw/zinc/38/35/52/132383552.db2.gz	ABHHIZREMFRESL-GUYCJALGSA-N	0	0	361.304	3.643	1	5		FHBFRN
Cc1ccc(C)c(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1	ZINC000002498640	132383589	/nfs/dbraw/zinc/38/35/89/132383589.db2.gz	GXDMJNMNWBRSGB-DNVCBOLYSA-N	0	0	353.378	3.981	1	5		FHBFRN
CCOC(=O)c1nc2c(c3[nH][nH]cc3cc2[N+](=O)[O-])c1-c1ccccc1	ZINC000096910266	222137449	/nfs/dbraw/zinc/13/74/49/222137449.db2.gz	SGIMXBZAYRXHNE-UHFFFAOYSA-N	0	0	350.334	3.796	1	5		FHBFRN
CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000103186670	222322830	/nfs/dbraw/zinc/32/28/30/222322830.db2.gz	KHLZJMZQFWBCDK-OAQYLSRUSA-N	0	0	374.400	3.895	1	5		FHBFRN
O=c1[nH]ccc2c(Nc3c(Cl)cncc3Cl)nc3ccncc3c12	ZINC000103239749	222327377	/nfs/dbraw/zinc/32/73/77/222327377.db2.gz	VQNQLGQGLJSCSM-UHFFFAOYSA-N	0	0	358.188	3.917	1	5		FHBFRN
Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)c1	ZINC000014948526	211107049	/nfs/dbraw/zinc/10/70/49/211107049.db2.gz	UJPUVORABIHTSL-GGGSXUAESA-N	0	0	367.449	3.988	1	5		FHBFRN
Nc1nc(Nc2ccc([N+](=O)[O-])cc2)ccc1C(=O)c1c(F)cccc1F	ZINC000014945644	211104488	/nfs/dbraw/zinc/10/44/88/211104488.db2.gz	ODDFLNIDCVCSCG-UHFFFAOYSA-N	0	0	370.315	3.825	1	5		FHBFRN
CCOC(=O)c1[nH]c(/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C	ZINC000103223666	222326168	/nfs/dbraw/zinc/32/61/68/222326168.db2.gz	NZRJGTWLERIZII-DHZHZOJOSA-N	0	0	372.377	3.755	1	5		FHBFRN
CCNc1cc2c(cc1[N+](=O)[O-])C(=O)C[C@H]1[C@](C)(C(=O)OC)CCC[C@]21C	ZINC000103287593	222332439	/nfs/dbraw/zinc/33/24/39/222332439.db2.gz	ONUXBQZXKGLNNH-MISYRCLQSA-N	0	0	374.437	3.850	1	5		FHBFRN
O=C([O-])CCC[C@@H]1[C@H]2CCC[N+]3([O-])CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23	ZINC000072113633	717133629	/nfs/dbraw/zinc/13/36/29/717133629.db2.gz	GSSHMZUWXVVKBL-RZQKWFAGSA-N	0	0	372.509	3.629	1	5		FHBFRN
O=c1c2ccccc2c(Cc2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1	ZINC000040564547	211748071	/nfs/dbraw/zinc/74/80/71/211748071.db2.gz	OJEQHZUYXPGJJB-UHFFFAOYSA-N	0	0	357.369	3.885	1	5		FHBFRN
CC(C)(C)OC(=O)NCCCn1c2ccc([N+](=O)[O-])cc2[nH]c1=S	ZINC000072142323	221420502	/nfs/dbraw/zinc/42/05/02/221420502.db2.gz	VZHDURKOGULJQI-UHFFFAOYSA-N	0	0	352.416	3.522	1	5		FHBFRN
CCCc1cc(=O)oc2c1c1oc([N+](=O)[O-])cc1c1c2C(=O)C[C@H](C)O1	ZINC000169342993	222565144	/nfs/dbraw/zinc/56/51/44/222565144.db2.gz	SGROMJOCHFNDQC-QMMMGPOBSA-N	0	0	357.318	3.754	1	5		FHBFRN
COc1cccc2c1[nH]c1c2c2c(c3c4c(ccn4C)ccc13)C(=O)NC2=O	ZINC000013535005	220071681	/nfs/dbraw/zinc/07/16/81/220071681.db2.gz	JCFYIDVKZYUSKM-UHFFFAOYSA-N	0	0	369.380	3.858	1	5		FHBFRN
Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4c(c3c21)C(=O)NC4=O	ZINC000013534926	220071793	/nfs/dbraw/zinc/07/17/93/220071793.db2.gz	WCPMTUANGBJGLD-UHFFFAOYSA-N	0	0	357.344	3.989	1	5		FHBFRN
O=C(Nc1nc(Cl)c([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1	ZINC000049036251	221018370	/nfs/dbraw/zinc/01/83/70/221018370.db2.gz	CESRMPPLLXNQSF-UHFFFAOYSA-N	0	0	351.693	3.976	1	5		FHBFRN
Brc1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n32)c1	ZINC000098085379	222227893	/nfs/dbraw/zinc/22/78/93/222227893.db2.gz	PLABNBFYFPLYPK-UHFFFAOYSA-N	0	0	365.194	3.583	1	5		FHBFRN
CCc1c2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c2n1C)OCO4	ZINC000100826264	222254389	/nfs/dbraw/zinc/25/43/89/222254389.db2.gz	OAKUFERESWZKNO-UHFFFAOYSA-O	0	0	362.405	3.976	1	5		FHBFRN
O=c1c2ccccc2c2nc3ccccn3c2n1Cc1ccc2c(c1)OCO2	ZINC000103232327	222327045	/nfs/dbraw/zinc/32/70/45/222327045.db2.gz	CSSXXDOHERMEHX-UHFFFAOYSA-N	0	0	369.380	3.579	1	5		FHBFRN
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@@H]1N2C	ZINC000261101083	717178580	/nfs/dbraw/zinc/17/85/80/717178580.db2.gz	GHYFEILIYSGWHS-PTLVVNQVSA-N	0	0	367.449	3.988	1	5		FHBFRN
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@@+]3([O-])CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23	ZINC000299811140	717180571	/nfs/dbraw/zinc/18/05/71/717180571.db2.gz	GSSHMZUWXVVKBL-XTQSJJPXSA-N	0	0	372.509	3.629	1	5		FHBFRN
O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)cc1	ZINC000001629437	219414054	/nfs/dbraw/zinc/41/40/54/219414054.db2.gz	BCPJIAQBIBDMDY-UHFFFAOYSA-N	0	0	368.780	3.920	1	5		FHBFRN
COc1ccc2c(c1)[nH]c1c2c2c(c3c1cnc1ccccc13)C(=O)NC2=O	ZINC000013488707	220069328	/nfs/dbraw/zinc/06/93/28/220069328.db2.gz	QLTTUNKHFSACML-UHFFFAOYSA-N	0	0	367.364	3.915	1	5		FHBFRN
Cn1ccc2ccc3c4[nH]c5cc(O)ccc5c4c4c(c3c21)C(=O)NC4=O	ZINC000013534979	220072482	/nfs/dbraw/zinc/07/24/82/220072482.db2.gz	WGJXQPAASLPNOB-UHFFFAOYSA-N	0	0	355.353	3.555	1	5		FHBFRN
COc1ccc2c(CN3CCC(=O)CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000043065151	220944244	/nfs/dbraw/zinc/94/42/44/220944244.db2.gz	PBDSLAMOBGFRQC-UHFFFAOYSA-N	0	0	363.413	3.895	1	5		FHBFRN
CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])cc2)S3)n1	ZINC000064446995	221146307	/nfs/dbraw/zinc/14/63/07/221146307.db2.gz	PJDAVMODXGXTKN-ZDUSSCGKSA-N	0	0	374.451	3.781	1	5		FHBFRN
CC(C)c1ccc([S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1	ZINC000073162008	221558724	/nfs/dbraw/zinc/55/87/24/221558724.db2.gz	CTTVVMXBXWWNQS-JOCHJYFZSA-N	0	0	350.421	3.640	1	5		FHBFRN
Cn1cc([N+](=O)[O-])cc1-c1nnc(Cc2ccc(F)c3ccccc23)o1	ZINC000103281361	222332556	/nfs/dbraw/zinc/33/25/56/222332556.db2.gz	KSBZJPXGFBHZNW-UHFFFAOYSA-N	0	0	352.325	3.866	1	5		FHBFRN
CCOC1=N[C@H]2Nc3ccccc3N(CC)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000002459135	535751426	/nfs/dbraw/zinc/75/14/26/535751426.db2.gz	UAQZWRNKNOENHM-GBESFXJTSA-N	0	0	366.421	3.774	1	5		FHBFRN
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C	ZINC000013475498	717107798	/nfs/dbraw/zinc/10/77/98/717107798.db2.gz	LMOGTSBPJOKDHW-GGGSXUAESA-O	0	0	368.457	3.879	1	5		FHBFRN
C[C@]1(c2nnc(-c3ccccc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000012726925	220022632	/nfs/dbraw/zinc/02/26/32/220022632.db2.gz	CLQLTFAXTJVZKB-GOSISDBHSA-N	0	0	350.334	3.685	3	5		FHBFRN
C[C@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000013478348	220069273	/nfs/dbraw/zinc/06/92/73/220069273.db2.gz	BKZVCBUXFZAITG-GOSISDBHSA-N	0	0	368.324	3.824	3	5		FHBFRN
COc1cc(OC)c2c(=O)cc(/C=C/c3ccc([N+](=O)[O-])cc3)oc2c1	ZINC000042965947	220943489	/nfs/dbraw/zinc/94/34/89/220943489.db2.gz	BIMGXYVXRXCSMK-VMPITWQZSA-N	0	0	353.330	3.889	1	5		FHBFRN
Cc1ccc(C)c(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1	ZINC000002498642	132383614	/nfs/dbraw/zinc/38/36/14/132383614.db2.gz	GXDMJNMNWBRSGB-KXBFYZLASA-N	0	0	353.378	3.981	1	5		FHBFRN
C[N+](C)([O-])Sc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2	ZINC000045289225	717130077	/nfs/dbraw/zinc/13/00/77/717130077.db2.gz	VZGAFLRFFKCZIF-YBEGLDIGSA-N	0	0	355.463	3.968	1	5	in-vivo	FHBFRN
O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(Br)c12	ZINC000013861990	220098096	/nfs/dbraw/zinc/09/80/96/220098096.db2.gz	DPCAMTPMSZHJLT-UHFFFAOYSA-N	0	0	355.191	3.954	1	5	in-vivo	FHBFRN
CCCOc1c(C)n2c(c1[N+](=O)[O-])N(Cc1ccc(Cl)nc1)CC2	ZINC000103185819	222323218	/nfs/dbraw/zinc/32/32/18/222323218.db2.gz	SZHUCQGVJJDTKF-UHFFFAOYSA-N	0	0	350.806	3.562	1	5		FHBFRN
COc1ccc(-c2[nH]nc3ncc(-c4c(N)cccc4[N+](=O)[O-])cc32)cc1	ZINC000169329630	222562502	/nfs/dbraw/zinc/56/25/02/222562502.db2.gz	FMFIODFALRXASM-UHFFFAOYSA-N	0	0	361.361	3.791	1	5		FHBFRN
CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000169348074	222565116	/nfs/dbraw/zinc/56/51/16/222565116.db2.gz	UGCRQZXOKSNMSR-QGZVFWFLSA-N	0	0	357.366	3.724	1	5		FHBFRN
CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N+](C)([O-])[C@H]12	ZINC000013475496	717107616	/nfs/dbraw/zinc/10/76/16/717107616.db2.gz	CJVCVNDKLPBCBG-ZTVINCFESA-O	0	0	354.430	3.571	1	5		FHBFRN
Cc1cc2oc3ccc(NCCCN4CCOCC4)cc3c(=O)c2cc1C	ZINC000012476725	220000359	/nfs/dbraw/zinc/00/03/59/220000359.db2.gz	CLZUTGAUGWLKKS-UHFFFAOYSA-N	0	0	366.461	3.697	3	5		FHBFRN
COc1cc2ccn(C)c2c2c3c(c4c5ccccc5[nH]c4c12)C(=O)NC3=O	ZINC000013535025	220072295	/nfs/dbraw/zinc/07/22/95/220072295.db2.gz	UOJGFXJJJQZLMH-UHFFFAOYSA-N	0	0	369.380	3.858	1	5		FHBFRN
COc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1OC)C=CC(C)(C)O4	ZINC000013397660	220066634	/nfs/dbraw/zinc/06/66/34/220066634.db2.gz	OBCBNXMEAJGWOD-UHFFFAOYSA-N	0	0	367.401	3.599	1	5		FHBFRN
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])c3ccccc31)[C@H]1C=C[C@@H]2CCC1	ZINC000028359291	220573727	/nfs/dbraw/zinc/57/37/27/220573727.db2.gz	DPIBWBIMTOFSKN-FUOYASODSA-N	0	0	362.385	3.840	1	5		FHBFRN
CC(=O)Nc1c2ccccc2c2c3c1cccc3C([O-])=C(CC[NH+](C)C)C2=O	ZINC000049932132	221029297	/nfs/dbraw/zinc/02/92/97/221029297.db2.gz	ZXXHVPGSHYJQCC-SFHVURJKSA-N	0	0	374.440	3.898	1	5		FHBFRN
COc1ccc(CNC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000072182237	221450900	/nfs/dbraw/zinc/45/09/00/221450900.db2.gz	KMZKYLKHZUIUFF-UHFFFAOYSA-N	0	0	358.379	3.535	1	5		FHBFRN
CCCCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1	ZINC000096913477	222138505	/nfs/dbraw/zinc/13/85/05/222138505.db2.gz	IPZSNWYYYAJHGL-GOSISDBHSA-N	0	0	357.366	3.770	1	5		FHBFRN
COC(=O)c1cccc2nc3cc(C(=O)c4ccccc4OC)ccc3nc21	ZINC000103221444	222326805	/nfs/dbraw/zinc/32/68/05/222326805.db2.gz	FNJDMGFVVWAENX-UHFFFAOYSA-N	0	0	372.380	3.809	1	5		FHBFRN
COc1ccc2cc([C@@H](c3ccc([N+](=O)[O-])cc3)n3cncn3)oc2c1	ZINC000013680631	220083813	/nfs/dbraw/zinc/08/38/13/220083813.db2.gz	YXCBVWXENGIHRM-GOSISDBHSA-N	0	0	350.334	3.579	1	5		FHBFRN
O=c1[nH]c(C=Cc2ccc(Br)cc2)nc2ccc([N+](=O)[O-])cc12	ZINC000049067908	221017754	/nfs/dbraw/zinc/01/77/54/221017754.db2.gz	MQDZSERQFYPEPW-FPYGCLRLSA-N	0	0	372.178	3.764	1	5		FHBFRN
CN1O[C@H]2C(=O)NC(=O)[C@H]2[C@@H]1c1ccc2ccc3cccc4ccc1c2c34	ZINC000066074953	221239528	/nfs/dbraw/zinc/23/95/28/221239528.db2.gz	QWUXYUJJAWUEEM-SLFFLAALSA-N	0	0	356.381	3.984	1	5		FHBFRN
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N)c([N+](=O)[O-])c1	ZINC000072127526	221413041	/nfs/dbraw/zinc/41/30/41/221413041.db2.gz	AQDSLDBDPQOITC-UHFFFAOYSA-N	0	0	353.378	3.797	1	5		FHBFRN
CCOC(=O)/C=C/c1cccc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1	ZINC000072107960	221405810	/nfs/dbraw/zinc/40/58/10/221405810.db2.gz	KVLRMHYBNZPETO-RMKNXTFCSA-N	0	0	364.361	3.858	1	5		FHBFRN
CCc1ccc(Nc2nn3c(nnc3-c3ccc([N+](=O)[O-])o3)s2)cc1	ZINC000072177504	221449576	/nfs/dbraw/zinc/44/95/76/221449576.db2.gz	BHFZKBWXDVWDRN-UHFFFAOYSA-N	0	0	356.367	3.660	1	5		FHBFRN
COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1	ZINC000100711190	222250915	/nfs/dbraw/zinc/25/09/15/222250915.db2.gz	UNDDXMPGFXYSLT-UHFFFAOYSA-N	0	0	374.396	3.839	3	5		FHBFRN
O=c1c2ccccc2n2c3nc4ccccc4c-3nnc2n1-c1ccccc1	ZINC000101697619	222282024	/nfs/dbraw/zinc/28/20/24/222282024.db2.gz	MPRJQPOUOKIJON-UHFFFAOYSA-N	0	0	363.380	3.686	1	5		FHBFRN
Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)cc1	ZINC000014948533	717111067	/nfs/dbraw/zinc/11/10/67/717111067.db2.gz	CMPDHSGHPWRRMQ-GGGSXUAESA-N	0	0	367.449	3.988	1	5		FHBFRN
Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)cc1	ZINC000261085386	717178247	/nfs/dbraw/zinc/17/82/47/717178247.db2.gz	CMPDHSGHPWRRMQ-ZCVJKFOLSA-N	0	0	367.449	3.988	1	5		FHBFRN
Cc1nc[nH]c1Cn1ccc2cc(Br)c3ccccc3c2c1=O	ZINC000000584910	219305295	/nfs/dbraw/zinc/30/52/95/219305295.db2.gz	XZUOLTHNIWNNEZ-UHFFFAOYSA-N	0	0	368.234	3.997	1	5		FHBFRN
O=[N+]([O-])c1ccc2c(c1)c(Cl)nnc2NCc1ccc2c(c1)OCO2	ZINC000013780945	220094849	/nfs/dbraw/zinc/09/48/49/220094849.db2.gz	RUWRDTSQEVSUNK-UHFFFAOYSA-N	0	0	358.741	3.532	1	5		FHBFRN
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(CO)[nH]nc1N2	ZINC000064540906	221147430	/nfs/dbraw/zinc/14/74/30/221147430.db2.gz	GXLFFMIVIQILFQ-UHFFFAOYSA-N	0	0	369.768	3.690	1	5		FHBFRN
COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC	ZINC000103193207	222324475	/nfs/dbraw/zinc/32/44/75/222324475.db2.gz	DYBCGDZTUVOLPF-PLNGDYQASA-N	0	0	360.322	3.699	1	5		FHBFRN
NC1=NC(=O)c2c3c4ccccc4n4c3c3c(c5ccccc5n3COC4)c21	ZINC000028762104	581098552	/nfs/dbraw/zinc/09/85/52/581098552.db2.gz	KLSCNGXXALOZOO-UHFFFAOYSA-N	0	0	366.380	3.707	1	5		FHBFRN
COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@H](C2)[N+](C)([O-])CC3	ZINC000014691001	717110626	/nfs/dbraw/zinc/11/06/26/717110626.db2.gz	BYUPLZVRFTWBAU-YXWRBFHGSA-N	0	0	357.406	3.602	1	5		FHBFRN
Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)([O-])[C@@H]2N3C)c1	ZINC000261173960	717179160	/nfs/dbraw/zinc/17/91/60/717179160.db2.gz	UJPUVORABIHTSL-PTLVVNQVSA-N	0	0	367.449	3.988	1	5		FHBFRN
CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O	ZINC000003961188	219531763	/nfs/dbraw/zinc/53/17/63/219531763.db2.gz	AVGCFTCKHIHCOQ-UHFFFAOYSA-N	0	0	357.413	3.751	1	5		FHBFRN
COC(=O)Cc1cccc2c(=O)c3ccc4c(c3oc12)C=CC(C)(C)O4	ZINC000027554521	220536524	/nfs/dbraw/zinc/53/65/24/220536524.db2.gz	LGSKJLVXFNZSAD-UHFFFAOYSA-N	0	0	350.370	3.846	1	5		FHBFRN
COc1ccc(-c2cc3nc(N(C)C[C@H](C)O)c4ccccc4c3nn2)cc1	ZINC000028758026	220584675	/nfs/dbraw/zinc/58/46/75/220584675.db2.gz	PDVUVVRSLAJFCO-AWEZNQCLSA-N	0	0	374.444	3.671	1	5		FHBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)c3)cc1)C2	ZINC000045255755	220967676	/nfs/dbraw/zinc/96/76/76/220967676.db2.gz	MRHUBBFAYTZSPM-KRWDZBQOSA-N	0	0	369.352	3.575	1	5		FHBFRN