smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1	ZINC000000675800	193891685	/nfs/dbraw/zinc/89/16/85/193891685.db2.gz	AWCGPVOPYYFRBB-UHFFFAOYSA-N	-1	3	453.520	4.882	50	5		JJBAHM
O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)[C@@H]1CC(c2ccccc2[O-])=NO1	ZINC000001126398	194036390	/nfs/dbraw/zinc/03/63/90/194036390.db2.gz	DBDBVUNAUKRKJA-NRFANRHFSA-N	-1	3	453.838	4.878	50	5		JJBAHM
O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)[C@H]1CC(c2ccccc2[O-])=NO1	ZINC000001126396	194036400	/nfs/dbraw/zinc/03/64/00/194036400.db2.gz	DBDBVUNAUKRKJA-OAQYLSRUSA-N	-1	3	453.838	4.878	50	5		JJBAHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(Cl)cc1Cl	ZINC000001177410	194062263	/nfs/dbraw/zinc/06/22/63/194062263.db2.gz	TUSCAXBYIHOMMG-UHFFFAOYSA-N	-1	3	494.356	4.941	50	5		JJBAHM
CC(C)n1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000096114351	129963247	/nfs/dbraw/zinc/96/32/47/129963247.db2.gz	CVJVNVQFWKZZCK-UHFFFAOYSA-N	-1	3	454.442	4.854	50	5	biogenic	JJBAHM
O=C(CSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1)c1cccc(C(F)(F)F)c1	ZINC000096280181	130025233	/nfs/dbraw/zinc/02/52/33/130025233.db2.gz	XRMDGDKJLIRZAQ-UHFFFAOYSA-N	-1	3	468.438	4.692	50	5		JJBAHM
COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c([N-]C(=O)c3ccccc3[N+](=O)[O-])c21	ZINC000012445370	522919831	/nfs/dbraw/zinc/91/98/31/522919831.db2.gz	XDXIIFLTAYCHPD-OAQYLSRUSA-N	-1	3	463.515	4.993	50	5		JJBAHM
COC(=O)c1c(-c2ccc(C)c(C)c2)csc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002101429	554042716	/nfs/dbraw/zinc/04/27/16/554042716.db2.gz	YWPXPWGTYGBSTR-UHFFFAOYSA-N	-1	3	455.448	4.887	50	5		JJBAHM
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000008993008	554853516	/nfs/dbraw/zinc/85/35/16/554853516.db2.gz	VUYKYHUTKZFWOP-UHFFFAOYSA-N	-1	3	474.473	4.506	50	5		JJBAHM
CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-]	ZINC000015835754	556020646	/nfs/dbraw/zinc/02/06/46/556020646.db2.gz	MQAGXHJZTPUNOT-UHFFFAOYSA-N	-1	3	478.486	4.634	50	5		JJBAHM
COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000024885537	556162117	/nfs/dbraw/zinc/16/21/17/556162117.db2.gz	WPOYDWSIFFAMCA-UHFFFAOYSA-N	-1	3	491.909	4.673	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000018030419	556277969	/nfs/dbraw/zinc/27/79/69/556277969.db2.gz	XGFJOELKMOGKSN-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018091240	556286635	/nfs/dbraw/zinc/28/66/35/556286635.db2.gz	OFCILHBPDUWKEH-ZLNRFVROSA-N	-1	3	477.904	4.862	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000018167341	556297378	/nfs/dbraw/zinc/29/73/78/556297378.db2.gz	AWEMUSNXCYCNEW-QHAWAJNXSA-N	-1	3	483.402	4.665	50	5		JJBAHM
CCCCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000100835117	569771954	/nfs/dbraw/zinc/77/19/54/569771954.db2.gz	YQAIIBRNBTWWED-NOZRDPDXSA-N	-1	3	484.512	4.556	50	5		JJBAHM
CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000102760728	569821985	/nfs/dbraw/zinc/82/19/85/569821985.db2.gz	DDQWRVUFIHYGNV-CCDWMCETSA-N	-1	3	487.512	4.825	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000102761684	569822369	/nfs/dbraw/zinc/82/23/69/569822369.db2.gz	XFPFRSWGFYOUEZ-BHIFYINESA-N	-1	3	463.877	4.608	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000102766361	569823023	/nfs/dbraw/zinc/82/30/23/569823023.db2.gz	BFURDYFRTOVTEE-XPWALMASSA-N	-1	3	493.903	4.698	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000136048810	569864560	/nfs/dbraw/zinc/86/45/60/569864560.db2.gz	RYZYEFDVPIMKHC-CCDWMCETSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000137907493	569865465	/nfs/dbraw/zinc/86/54/65/569865465.db2.gz	WHVBULNDXWUSGW-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000226989901	570039735	/nfs/dbraw/zinc/03/97/35/570039735.db2.gz	SZNGISRRWCCVBE-IRFCIJBXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000229876191	570041643	/nfs/dbraw/zinc/04/16/43/570041643.db2.gz	BNRPMTUMQDZPAK-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000245245178	570058849	/nfs/dbraw/zinc/05/88/49/570058849.db2.gz	BFURDYFRTOVTEE-DNVJHFABSA-N	-1	3	493.903	4.698	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2Cl)cc1	ZINC000245245199	570058880	/nfs/dbraw/zinc/05/88/80/570058880.db2.gz	BOPVQJYHDXWSQO-YPAWHYETSA-N	-1	3	463.877	4.608	50	5		JJBAHM
O=C(CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc2ccccc2c1	ZINC000002999992	527086440	/nfs/dbraw/zinc/08/64/40/527086440.db2.gz	LGHORHHREYYQPJ-UHFFFAOYSA-N	-1	3	450.501	4.827	50	5		JJBAHM
CCCOC(=O)c1c(C)c(C(=O)OCC)sc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000002101696	554042955	/nfs/dbraw/zinc/04/29/55/554042955.db2.gz	XPBLTOIZLSMSCA-UHFFFAOYSA-N	-1	3	454.888	4.614	50	5		JJBAHM
CCCOC(=O)c1c(C)c(C(=O)OCC)sc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000002101750	554042970	/nfs/dbraw/zinc/04/29/70/554042970.db2.gz	AKVUVRDLRUUGMD-UHFFFAOYSA-N	-1	3	454.888	4.614	50	5		JJBAHM
O=C([N-]c1nnc(SCc2ccc(Br)cc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000009366809	555128362	/nfs/dbraw/zinc/12/83/62/555128362.db2.gz	PRPQALUISHLODP-UHFFFAOYSA-N	-1	3	451.327	4.753	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000009424229	555188879	/nfs/dbraw/zinc/18/88/79/555188879.db2.gz	RKRXFPUFHNLTPZ-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=[N+]([O-])c1ccc([N-]c2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCCC3)n2)cc1	ZINC000013893119	555640875	/nfs/dbraw/zinc/64/08/75/555640875.db2.gz	LLTLSJJQJKIRLE-UHFFFAOYSA-N	-1	3	480.369	4.776	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020212942	555706542	/nfs/dbraw/zinc/70/65/42/555706542.db2.gz	VDUBUALNVBKPMH-RUZDIDTESA-N	-1	3	498.495	4.920	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020212942	555706544	/nfs/dbraw/zinc/70/65/44/555706544.db2.gz	VDUBUALNVBKPMH-RUZDIDTESA-N	-1	3	498.495	4.920	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000018169443	556297659	/nfs/dbraw/zinc/29/76/59/556297659.db2.gz	FDQDELDTXWZPNF-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccc([N+](=O)[O-])cc1	ZINC000101018423	569779547	/nfs/dbraw/zinc/77/95/47/569779547.db2.gz	ZMFXFOLZHYSMPM-NRFANRHFSA-N	-1	3	456.437	4.634	50	5		JJBAHM
O=C([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccc([N+](=O)[O-])cc1	ZINC000101018421	569779588	/nfs/dbraw/zinc/77/95/88/569779588.db2.gz	ZMFXFOLZHYSMPM-OAQYLSRUSA-N	-1	3	456.437	4.634	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21	ZINC000102707373	569816695	/nfs/dbraw/zinc/81/66/95/569816695.db2.gz	XDGUDTSUVLEHAK-CCDWMCETSA-N	-1	3	465.465	4.799	50	5		JJBAHM
CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102752068	569820879	/nfs/dbraw/zinc/82/08/79/569820879.db2.gz	HVHAQXLUHGXITG-RBZQAINGSA-N	-1	3	471.513	4.943	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000102760654	569821971	/nfs/dbraw/zinc/82/19/71/569821971.db2.gz	VFYBMGMVZNNLCW-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000226833785	570038820	/nfs/dbraw/zinc/03/88/20/570038820.db2.gz	MNXKREDWCRGYCZ-CCDWMCETSA-N	-1	3	481.464	4.906	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000245246854	570059220	/nfs/dbraw/zinc/05/92/20/570059220.db2.gz	PTRLPRDADMWKPV-DNVJHFABSA-N	-1	3	493.903	4.698	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000245247787	570059432	/nfs/dbraw/zinc/05/94/32/570059432.db2.gz	XHJPICMRXHBYBX-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000001199921	194068318	/nfs/dbraw/zinc/06/83/18/194068318.db2.gz	IYAUDKSATMIFRS-UHFFFAOYSA-N	-1	3	467.931	4.529	50	5		JJBAHM
COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c([N-]C(=O)c3ccccc3[N+](=O)[O-])c21	ZINC000012445372	522920687	/nfs/dbraw/zinc/92/06/87/522920687.db2.gz	XDXIIFLTAYCHPD-NRFANRHFSA-N	-1	3	463.515	4.993	50	5		JJBAHM
Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1	ZINC000009492626	555272855	/nfs/dbraw/zinc/27/28/55/555272855.db2.gz	RULQZPPSESWPKK-UHFFFAOYSA-N	-1	3	463.313	4.605	50	5		JJBAHM
O=C([N-]c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000009595087	555411547	/nfs/dbraw/zinc/41/15/47/555411547.db2.gz	VPOKGBQZGASWHY-UHFFFAOYSA-N	-1	3	481.530	4.814	50	5		JJBAHM
O=C([N-]c1cc(C(F)(F)F)c(Br)cc1Br)c1ccc([N+](=O)[O-])o1	ZINC000019897978	555533584	/nfs/dbraw/zinc/53/35/84/555533584.db2.gz	AMHFVWBXWQGMPB-UHFFFAOYSA-N	-1	3	457.984	4.984	50	5		JJBAHM
O=C([N-]c1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000027501168	556282152	/nfs/dbraw/zinc/28/21/52/556282152.db2.gz	KKHBQOQQRHTCHC-UHFFFAOYSA-N	-1	3	475.198	4.853	50	5		JJBAHM
COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	ZINC000027527564	556288521	/nfs/dbraw/zinc/28/85/21/556288521.db2.gz	OYNVZLXWRBQQCA-UHFFFAOYSA-N	-1	3	472.501	4.662	50	5		JJBAHM
COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc([N-]C(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1	ZINC000101004432	569778921	/nfs/dbraw/zinc/77/89/21/569778921.db2.gz	MIIMRDNPAADAMH-QFIPXVFZSA-N	-1	3	468.473	4.503	50	5		JJBAHM
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102758499	569821566	/nfs/dbraw/zinc/82/15/66/569821566.db2.gz	OFCILHBPDUWKEH-DNVJHFABSA-N	-1	3	477.904	4.862	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	ZINC000102765709	569822812	/nfs/dbraw/zinc/82/28/12/569822812.db2.gz	BZPAHXGGPZOEPF-RJGXRXQPSA-N	-1	3	477.904	4.916	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102768094	569823282	/nfs/dbraw/zinc/82/32/82/569823282.db2.gz	FDQDELDTXWZPNF-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cc(Cl)cc(Cl)c1	ZINC000103590952	569836453	/nfs/dbraw/zinc/83/64/53/569836453.db2.gz	SUFMMOGATWGVPE-TZIWHRDSSA-N	-1	3	481.295	4.684	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000226983863	570039538	/nfs/dbraw/zinc/03/95/38/570039538.db2.gz	FPWJGVZMUJRDLG-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	ZINC000245245209	570058931	/nfs/dbraw/zinc/05/89/31/570058931.db2.gz	BZPAHXGGPZOEPF-DNVJHFABSA-N	-1	3	477.904	4.916	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000245247786	570059401	/nfs/dbraw/zinc/05/94/01/570059401.db2.gz	XHJPICMRXHBYBX-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000001146031	194047820	/nfs/dbraw/zinc/04/78/20/194047820.db2.gz	LVQRAIMCGUXGFO-UHFFFAOYSA-N	-1	3	466.302	4.955	50	5		JJBAHM
CC(C)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000002997981	194198268	/nfs/dbraw/zinc/19/82/68/194198268.db2.gz	HABPJQAQLHFPFZ-UHFFFAOYSA-N	-1	3	457.537	4.553	50	5		JJBAHM
CCN(CC)C(=O)c1sc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C	ZINC000020608580	195181915	/nfs/dbraw/zinc/18/19/15/195181915.db2.gz	FVEPLVWGCDMEHN-UHFFFAOYSA-N	-1	3	481.958	4.918	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020855073	195231937	/nfs/dbraw/zinc/23/19/37/195231937.db2.gz	NEGHXSTYHVEZIJ-RUZDIDTESA-N	-1	3	498.495	4.920	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020855073	195231939	/nfs/dbraw/zinc/23/19/39/195231939.db2.gz	NEGHXSTYHVEZIJ-RUZDIDTESA-N	-1	3	498.495	4.920	50	5		JJBAHM
O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1	ZINC000012488627	527177468	/nfs/dbraw/zinc/17/74/68/527177468.db2.gz	OBUPKXMQBVNSOM-UHFFFAOYSA-N	-1	3	456.263	4.548	50	5		JJBAHM
O=C([N-]c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1	ZINC000012488627	527177475	/nfs/dbraw/zinc/17/74/75/527177475.db2.gz	OBUPKXMQBVNSOM-UHFFFAOYSA-N	-1	3	456.263	4.548	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009014254	554865538	/nfs/dbraw/zinc/86/55/38/554865538.db2.gz	CFLOBRJPPPOLTK-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009328514	555099076	/nfs/dbraw/zinc/09/90/76/555099076.db2.gz	PGIJGILKOFWSEC-NJDAHSKKSA-N	-1	3	483.402	4.665	50	5		JJBAHM
COc1cc(Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2[N+](=O)[O-])cc(OC)c1OC	ZINC000009471154	555254751	/nfs/dbraw/zinc/25/47/51/555254751.db2.gz	FSGCRHDGIQITEN-UHFFFAOYSA-N	-1	3	493.925	4.818	50	5		JJBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(Cc1ccccc1)C2	ZINC000019942053	555561261	/nfs/dbraw/zinc/56/12/61/555561261.db2.gz	BGDASQYDJVVWRQ-UHFFFAOYSA-N	-1	3	471.560	4.705	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000013758471	555611511	/nfs/dbraw/zinc/61/15/11/555611511.db2.gz	XMYGPLNWPYZVHL-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21	ZINC000017857310	556269046	/nfs/dbraw/zinc/26/90/46/556269046.db2.gz	HXXMZGFZVHQYJX-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
COc1ccc(Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2[N+](=O)[O-])cc1OC	ZINC000089464692	569718526	/nfs/dbraw/zinc/71/85/26/569718526.db2.gz	LYYVRMQNHVFAMC-UHFFFAOYSA-N	-1	3	463.899	4.810	50	5		JJBAHM
O=[N+]([O-])c1ccc(Nc2cccc([N-]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000100715946	569767525	/nfs/dbraw/zinc/76/75/25/569767525.db2.gz	SEDPXKQGDJPJLG-UHFFFAOYSA-N	-1	3	485.325	4.715	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc2ccccc21	ZINC000103954881	569839525	/nfs/dbraw/zinc/83/95/25/569839525.db2.gz	VFROVPQNBYBLSL-ZCYQVOJMSA-N	-1	3	462.465	4.531	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc2ccccc21	ZINC000103954869	569839542	/nfs/dbraw/zinc/83/95/42/569839542.db2.gz	VFROVPQNBYBLSL-ILBGXUMGSA-N	-1	3	462.465	4.531	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000137792104	569865293	/nfs/dbraw/zinc/86/52/93/569865293.db2.gz	FBYSAYMXYXOGMA-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1	ZINC000137885052	569865383	/nfs/dbraw/zinc/86/53/83/569865383.db2.gz	JQULETKQGCNLTD-PCCBWWKXSA-N	-1	3	499.401	4.545	50	5		JJBAHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000001165999	194057701	/nfs/dbraw/zinc/05/77/01/194057701.db2.gz	FYVREVGMPQTGQB-UHFFFAOYSA-N	-1	3	459.911	4.918	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000001313708	194083497	/nfs/dbraw/zinc/08/34/97/194083497.db2.gz	HTMKSIUKRBNEIZ-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-]	ZINC000001859807	194150587	/nfs/dbraw/zinc/15/05/87/194150587.db2.gz	KZOWIEMPJLLAOV-UHFFFAOYSA-N	-1	3	450.501	4.704	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009478981	527110800	/nfs/dbraw/zinc/11/08/00/527110800.db2.gz	XGFJOELKMOGKSN-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000002082836	554028503	/nfs/dbraw/zinc/02/85/03/554028503.db2.gz	IRMFTVGPUQKIMF-LLVKDONJSA-N	-1	3	461.496	4.754	50	5		JJBAHM
O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1cccc([N+](=O)[O-])c1	ZINC000008836233	554736133	/nfs/dbraw/zinc/73/61/33/554736133.db2.gz	CCKIOLOMGSGSLG-DHZHZOJOSA-N	-1	3	464.275	4.932	50	5		JJBAHM
COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000009046196	554870543	/nfs/dbraw/zinc/87/05/43/554870543.db2.gz	FDZGIBMCXYYELL-RCZVLFRGSA-N	-1	3	487.512	4.660	50	5	biogenic	JJBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCC[C@H](C(F)(F)F)C1	ZINC000009127071	554921910	/nfs/dbraw/zinc/92/19/10/554921910.db2.gz	DMZAMEGPYVDFER-LBPRGKRZSA-N	-1	3	463.865	4.828	50	5		JJBAHM
COc1ccc(Nc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Br	ZINC000009492634	555272895	/nfs/dbraw/zinc/27/28/95/555272895.db2.gz	ZYAUHZASZDMFMS-UHFFFAOYSA-N	-1	3	493.339	4.614	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212927	555706580	/nfs/dbraw/zinc/70/65/80/555706580.db2.gz	MNPZBGDVKGRHAC-DEOSSOPVSA-N	-1	3	468.469	4.911	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212927	555706583	/nfs/dbraw/zinc/70/65/83/555706583.db2.gz	MNPZBGDVKGRHAC-DEOSSOPVSA-N	-1	3	468.469	4.911	50	5		JJBAHM
CCOc1ccc([N-]C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c([N+](=O)[O-])c1	ZINC000008454752	569591486	/nfs/dbraw/zinc/59/14/86/569591486.db2.gz	XPIPNLLZGWSXDR-UHFFFAOYSA-N	-1	3	453.405	4.893	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000102755231	569821381	/nfs/dbraw/zinc/82/13/81/569821381.db2.gz	MNXKREDWCRGYCZ-ISJGIBHGSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000102766975	569823073	/nfs/dbraw/zinc/82/30/73/569823073.db2.gz	AWEMUSNXCYCNEW-PWRODBHTSA-N	-1	3	483.402	4.665	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc2ccccc21	ZINC000103954875	569839528	/nfs/dbraw/zinc/83/95/28/569839528.db2.gz	VFROVPQNBYBLSL-UKILVPOCSA-N	-1	3	462.465	4.531	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000229939597	570042488	/nfs/dbraw/zinc/04/24/88/570042488.db2.gz	PNRAUUFHWKLZIG-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000229938640	570042536	/nfs/dbraw/zinc/04/25/36/570042536.db2.gz	PTRLPRDADMWKPV-YTFSRNRJSA-N	-1	3	493.903	4.698	50	5		JJBAHM
CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000230034010	570043689	/nfs/dbraw/zinc/04/36/89/570043689.db2.gz	PAKCWQZRQFKPKC-ISJGIBHGSA-N	-1	3	487.512	4.825	50	5		JJBAHM
COc1cc([N-]C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)cc([N+](=O)[O-])c1	ZINC000001217022	194072980	/nfs/dbraw/zinc/07/29/80/194072980.db2.gz	IYIREOJCUSVQAA-UHFFFAOYSA-N	-1	3	481.774	4.831	50	5		JJBAHM
Cc1cccc2c([O-])c3c(=O)cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)cc-3oc12	ZINC000009129516	194559141	/nfs/dbraw/zinc/55/91/41/194559141.db2.gz	KIJRMBKQZTUJKQ-UHFFFAOYSA-N	-1	3	455.507	4.951	50	5		JJBAHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2	ZINC000002082835	554028455	/nfs/dbraw/zinc/02/84/55/554028455.db2.gz	IRMFTVGPUQKIMF-NSHDSACASA-N	-1	3	461.496	4.754	50	5		JJBAHM
COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000009033848	554868106	/nfs/dbraw/zinc/86/81/06/554868106.db2.gz	FDZGIBMCXYYELL-RDGATRHJSA-N	-1	3	487.512	4.660	50	5	biogenic	JJBAHM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000009033852	554868117	/nfs/dbraw/zinc/86/81/17/554868117.db2.gz	FDZGIBMCXYYELL-DHLKQENFSA-N	-1	3	487.512	4.660	50	5	biogenic	JJBAHM
COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000009033850	554868120	/nfs/dbraw/zinc/86/81/20/554868120.db2.gz	FDZGIBMCXYYELL-WIOPSUGQSA-N	-1	3	487.512	4.660	50	5	biogenic	JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21	ZINC000009075571	554886751	/nfs/dbraw/zinc/88/67/51/554886751.db2.gz	XDGUDTSUVLEHAK-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)oc2c1CCCC2	ZINC000022215396	555884927	/nfs/dbraw/zinc/88/49/27/555884927.db2.gz	KYVLVMSOHLBAED-UHFFFAOYSA-N	-1	3	454.435	4.764	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21	ZINC000017822355	556267287	/nfs/dbraw/zinc/26/72/87/556267287.db2.gz	XDGUDTSUVLEHAK-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000018067725	556283164	/nfs/dbraw/zinc/28/31/64/556283164.db2.gz	PGIJGILKOFWSEC-QHAWAJNXSA-N	-1	3	483.402	4.665	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000018118815	556290060	/nfs/dbraw/zinc/29/00/60/556290060.db2.gz	FPWJGVZMUJRDLG-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000018146111	556294065	/nfs/dbraw/zinc/29/40/65/556294065.db2.gz	XMYGPLNWPYZVHL-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
COc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@@]([O-])(C(F)(F)F)C2)cc1	ZINC000008711546	569596132	/nfs/dbraw/zinc/59/61/32/569596132.db2.gz	OHFMTZWLNYITRI-IBGZPJMESA-N	-1	3	464.425	4.592	50	5		JJBAHM
COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc([N-]C(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1	ZINC000101017436	569779574	/nfs/dbraw/zinc/77/95/74/569779574.db2.gz	NQPKDWVKMXHZKV-QFIPXVFZSA-N	-1	3	468.473	4.503	50	5		JJBAHM
CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102752072	569820756	/nfs/dbraw/zinc/82/07/56/569820756.db2.gz	HVHAQXLUHGXITG-WXFUMESZSA-N	-1	3	471.513	4.943	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000102760887	569821942	/nfs/dbraw/zinc/82/19/42/569821942.db2.gz	TXRMFAGOPOCSLU-RJGXRXQPSA-N	-1	3	477.904	4.916	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000102761681	569822356	/nfs/dbraw/zinc/82/23/56/569822356.db2.gz	XFPFRSWGFYOUEZ-FDFHNCONSA-N	-1	3	463.877	4.608	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cc(Cl)cc(Cl)c1	ZINC000103590964	569836386	/nfs/dbraw/zinc/83/63/86/569836386.db2.gz	SUFMMOGATWGVPE-FPOVZHCZSA-N	-1	3	481.295	4.684	50	5		JJBAHM
CCN(CC)C(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OC(C)C)c1C	ZINC000001200067	194068390	/nfs/dbraw/zinc/06/83/90/194068390.db2.gz	VKEMYFTZDZVOFW-UHFFFAOYSA-N	-1	3	481.958	4.918	50	5		JJBAHM
CCN(CC)C(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OC(C)C)c1C	ZINC000001200385	194068697	/nfs/dbraw/zinc/06/86/97/194068697.db2.gz	ANMHKPYIVBGTGO-UHFFFAOYSA-N	-1	3	481.958	4.918	50	5		JJBAHM
COc1ccc([N+](=O)[O-])c([N-]C(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)c1	ZINC000008454754	525451644	/nfs/dbraw/zinc/45/16/44/525451644.db2.gz	COVLLUYNVHVQII-UHFFFAOYSA-N	-1	3	453.405	4.811	50	5		JJBAHM
O=C([N-]c1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000000830417	553790235	/nfs/dbraw/zinc/79/02/35/553790235.db2.gz	YHODGXXPKVISEY-UHFFFAOYSA-N	-1	3	475.198	4.853	50	5		JJBAHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1	ZINC000002101503	554042626	/nfs/dbraw/zinc/04/26/26/554042626.db2.gz	KDYMQJZINYAVBW-UHFFFAOYSA-N	-1	3	455.448	4.887	50	5		JJBAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C	ZINC000002870661	554395358	/nfs/dbraw/zinc/39/53/58/554395358.db2.gz	OOBLBMCWZJIKIV-UHFFFAOYSA-N	-1	3	472.475	4.830	50	5		JJBAHM
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2[O-])c(C)c1	ZINC000009235122	555009157	/nfs/dbraw/zinc/00/91/57/555009157.db2.gz	IGPMHEIJISABPC-UHFFFAOYSA-N	-1	3	475.530	4.896	50	5		JJBAHM
Cc1cccc2c([O-])c3c(=O)cc(OC(=O)CCCNC(=O)OCc4ccccc4)cc-3oc12	ZINC000009430356	555197711	/nfs/dbraw/zinc/19/77/11/555197711.db2.gz	MGQLNJAHUFUQIG-UHFFFAOYSA-N	-1	3	461.470	4.572	50	5		JJBAHM
Cc1c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-]	ZINC000009518517	555313631	/nfs/dbraw/zinc/31/36/31/555313631.db2.gz	BVDLUBBNVYPYAK-UHFFFAOYSA-N	-1	3	473.441	4.925	50	5		JJBAHM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000023157594	556025808	/nfs/dbraw/zinc/02/58/08/556025808.db2.gz	VRBZLRBNMFATBI-OAQYLSRUSA-N	-1	3	463.563	4.757	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2ccccc2c1	ZINC000100840865	569772058	/nfs/dbraw/zinc/77/20/58/569772058.db2.gz	LORZOHOGGFVLCX-NOZRDPDXSA-N	-1	3	462.465	4.531	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000136060158	569864570	/nfs/dbraw/zinc/86/45/70/569864570.db2.gz	PNRAUUFHWKLZIG-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000226975694	570039429	/nfs/dbraw/zinc/03/94/29/570039429.db2.gz	ZZGDUMSFNPCPEV-IRFCIJBXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](c3nccn3C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1	ZINC000009914950	195022813	/nfs/dbraw/zinc/02/28/13/195022813.db2.gz	XUHLSIZMWISTJB-DEOSSOPVSA-N	-1	3	491.573	4.947	50	5		JJBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1Cl	ZINC000013857294	525301136	/nfs/dbraw/zinc/30/11/36/525301136.db2.gz	DBRAKYSZZOOMOC-UHFFFAOYSA-N	-1	3	489.937	4.683	50	5		JJBAHM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000027527548	527542147	/nfs/dbraw/zinc/54/21/47/527542147.db2.gz	XVCSBWDFCYYKEQ-UHFFFAOYSA-N	-1	3	455.257	4.662	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000009353150	555117699	/nfs/dbraw/zinc/11/76/99/555117699.db2.gz	CJNZCBZZPHBHJA-UBFVSLLYSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C([N-]c1nc(-c2ccc(I)cc2)cs1)c1ccc([N+](=O)[O-])s1	ZINC000012002313	555882807	/nfs/dbraw/zinc/88/28/07/555882807.db2.gz	ACJNROAZOQADAV-UHFFFAOYSA-N	-1	3	457.274	4.637	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000018037774	556278635	/nfs/dbraw/zinc/27/86/35/556278635.db2.gz	SZNGISRRWCCVBE-SVFBPWRDSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018080552	556284690	/nfs/dbraw/zinc/28/46/90/556284690.db2.gz	VGZLNELXZVIVMT-VSKRKVRLSA-N	-1	3	463.877	4.608	50	5		JJBAHM
CO[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccccc1	ZINC000040135237	569817289	/nfs/dbraw/zinc/81/72/89/569817289.db2.gz	SNUZIQRKAYTCFX-HSZRJFAPSA-N	-1	3	455.536	4.812	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102734700	569818638	/nfs/dbraw/zinc/81/86/38/569818638.db2.gz	SZNGISRRWCCVBE-QKNQBKEWSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000102747080	569820216	/nfs/dbraw/zinc/82/02/16/569820216.db2.gz	XHJPICMRXHBYBX-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102755087	569821362	/nfs/dbraw/zinc/82/13/62/569821362.db2.gz	VGZLNELXZVIVMT-YPAWHYETSA-N	-1	3	463.877	4.608	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000102761361	569822008	/nfs/dbraw/zinc/82/20/08/569822008.db2.gz	PTRLPRDADMWKPV-RJGXRXQPSA-N	-1	3	493.903	4.698	50	5		JJBAHM
CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000102760729	569822098	/nfs/dbraw/zinc/82/20/98/569822098.db2.gz	DDQWRVUFIHYGNV-DSNGMDLFSA-N	-1	3	487.512	4.825	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000137792215	569865356	/nfs/dbraw/zinc/86/53/56/569865356.db2.gz	FBYSAYMXYXOGMA-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000137919084	569865532	/nfs/dbraw/zinc/86/55/32/569865532.db2.gz	AWEMUSNXCYCNEW-PCCBWWKXSA-N	-1	3	483.402	4.665	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000226986520	570039732	/nfs/dbraw/zinc/03/97/32/570039732.db2.gz	CJNZCBZZPHBHJA-CCDWMCETSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000227236048	570040106	/nfs/dbraw/zinc/04/01/06/570040106.db2.gz	GJVYHXULAHPFTM-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1[O-]	ZINC000001417287	194117429	/nfs/dbraw/zinc/11/74/29/194117429.db2.gz	OKUSSJAFEBUVBR-CXUHLZMHSA-N	-1	3	479.308	4.698	50	5		JJBAHM
CCOC(=O)c1ccc([N-]c2nc(C)c([N+](=O)[O-])c(Nc3ccc(C(=O)OCC)cc3)n2)cc1	ZINC000004255918	194385816	/nfs/dbraw/zinc/38/58/16/194385816.db2.gz	ZSGJKOUNONTKPF-UHFFFAOYSA-N	-1	3	465.466	4.534	50	5		JJBAHM
O=C([N-]c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	ZINC000004427080	194389817	/nfs/dbraw/zinc/38/98/17/194389817.db2.gz	ADRPRPFGMVYQEB-UHFFFAOYSA-N	-1	3	462.775	4.624	50	5		JJBAHM
COC(=O)c1c([N-]C(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000012649922	195075443	/nfs/dbraw/zinc/07/54/43/195075443.db2.gz	CVSBYZXXCYGUGB-UHFFFAOYSA-N	-1	3	484.578	4.696	50	5		JJBAHM
COC(=O)c1c(-c2ccc(C)cc2C)csc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002101649	554042920	/nfs/dbraw/zinc/04/29/20/554042920.db2.gz	KAZMKEVEXRSOMA-UHFFFAOYSA-N	-1	3	455.448	4.887	50	5		JJBAHM
O=C([N-]c1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000009366808	555128397	/nfs/dbraw/zinc/12/83/97/555128397.db2.gz	HZGUGKWZYXBLOM-UHFFFAOYSA-N	-1	3	451.327	4.753	50	5		JJBAHM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000023157591	556025780	/nfs/dbraw/zinc/02/57/80/556025780.db2.gz	VRBZLRBNMFATBI-NRFANRHFSA-N	-1	3	463.563	4.757	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000017952775	556272534	/nfs/dbraw/zinc/27/25/34/556272534.db2.gz	RKRXFPUFHNLTPZ-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
COc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@]([O-])(C(F)(F)F)C2)cc1	ZINC000008711543	569596123	/nfs/dbraw/zinc/59/61/23/569596123.db2.gz	OHFMTZWLNYITRI-LJQANCHMSA-N	-1	3	464.425	4.592	50	5		JJBAHM
CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101143697	569784461	/nfs/dbraw/zinc/78/44/61/569784461.db2.gz	HVHAQXLUHGXITG-SMIHKQSGSA-N	-1	3	471.513	4.943	50	5		JJBAHM
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101175927	569786090	/nfs/dbraw/zinc/78/60/90/569786090.db2.gz	OFCILHBPDUWKEH-ZRBLBEILSA-N	-1	3	477.904	4.862	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21	ZINC000102707746	569816797	/nfs/dbraw/zinc/81/67/97/569816797.db2.gz	HXXMZGFZVHQYJX-CCDWMCETSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000102724481	569817623	/nfs/dbraw/zinc/81/76/23/569817623.db2.gz	FPWJGVZMUJRDLG-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2ccccc2c1	ZINC000103537603	569835985	/nfs/dbraw/zinc/83/59/85/569835985.db2.gz	LORZOHOGGFVLCX-UKILVPOCSA-N	-1	3	462.465	4.531	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000226984288	570039640	/nfs/dbraw/zinc/03/96/40/570039640.db2.gz	HTMKSIUKRBNEIZ-CCDWMCETSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000229971760	570042859	/nfs/dbraw/zinc/04/28/59/570042859.db2.gz	ZZGDUMSFNPCPEV-QKNQBKEWSA-N	-1	3	484.295	4.953	50	5		JJBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C	ZINC000002921714	194169654	/nfs/dbraw/zinc/16/96/54/194169654.db2.gz	QUZFGNJMKFFMPJ-UHFFFAOYSA-N	-1	3	484.921	4.637	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020855070	195231975	/nfs/dbraw/zinc/23/19/75/195231975.db2.gz	NEGHXSTYHVEZIJ-VWLOTQADSA-N	-1	3	498.495	4.920	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020855070	195231976	/nfs/dbraw/zinc/23/19/76/195231976.db2.gz	NEGHXSTYHVEZIJ-VWLOTQADSA-N	-1	3	498.495	4.920	50	5		JJBAHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	ZINC000016361085	524307657	/nfs/dbraw/zinc/30/76/57/524307657.db2.gz	SSYDOYRRYUOPJQ-UHFFFAOYSA-N	-1	3	454.508	4.965	50	5		JJBAHM
COc1ccc([N-]C(=O)c2ccc(COc3ccc(I)cc3)o2)c([N+](=O)[O-])c1	ZINC000013882218	524633409	/nfs/dbraw/zinc/63/34/09/524633409.db2.gz	ISHOATDLVBUHTQ-UHFFFAOYSA-N	-1	3	494.241	4.632	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21	ZINC000009075733	554886994	/nfs/dbraw/zinc/88/69/94/554886994.db2.gz	HXXMZGFZVHQYJX-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009289704	555064170	/nfs/dbraw/zinc/06/41/70/555064170.db2.gz	FDQDELDTXWZPNF-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000009353073	555117728	/nfs/dbraw/zinc/11/77/28/555117728.db2.gz	BNRPMTUMQDZPAK-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C([N-]c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	ZINC000013476416	555402848	/nfs/dbraw/zinc/40/28/48/555402848.db2.gz	MTBCJADFJXKJJT-UHFFFAOYSA-N	-1	3	468.804	4.686	50	5		JJBAHM
CCCCc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000009600091	555421695	/nfs/dbraw/zinc/42/16/95/555421695.db2.gz	KSOSJVLGBJHJHT-UHFFFAOYSA-N	-1	3	471.564	4.772	50	5		JJBAHM
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1	ZINC000009715699	555448221	/nfs/dbraw/zinc/44/82/21/555448221.db2.gz	NJYKGLXRAWUTJJ-UHFFFAOYSA-N	-1	3	477.951	4.780	50	5		JJBAHM
O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1ccccc1[N+](=O)[O-]	ZINC000013635087	555544610	/nfs/dbraw/zinc/54/46/10/555544610.db2.gz	IVLRZAUPGCYGBU-FMIVXFBMSA-N	-1	3	464.275	4.932	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000013803851	555622209	/nfs/dbraw/zinc/62/22/09/555622209.db2.gz	WHVBULNDXWUSGW-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000027528348	556290275	/nfs/dbraw/zinc/29/02/75/556290275.db2.gz	PEASBTFRSZIZMP-GOSISDBHSA-N	-1	3	499.457	4.506	50	5		JJBAHM
CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn(C34CC5CC(CC(C5)C3)C4)cc1[N+](=O)[O-])CCC2	ZINC000008454526	569591438	/nfs/dbraw/zinc/59/14/38/569591438.db2.gz	DELYGQHFCAJADA-UHFFFAOYSA-N	-1	3	484.578	4.696	50	5		JJBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)c3ccccc3OC)c([N+](=O)[O-])c2)cc1	ZINC000089909830	569720333	/nfs/dbraw/zinc/72/03/33/569720333.db2.gz	DTPRKWDSXHEHBK-HNNXBMFYSA-N	-1	3	457.508	4.586	50	5		JJBAHM
O=C([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1cccc([N+](=O)[O-])c1	ZINC000101010556	569779102	/nfs/dbraw/zinc/77/91/02/569779102.db2.gz	SEJDPDFQLOQJJW-NRFANRHFSA-N	-1	3	456.437	4.634	50	5		JJBAHM
CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000102710841	569817016	/nfs/dbraw/zinc/81/70/16/569817016.db2.gz	PAKCWQZRQFKPKC-DSNGMDLFSA-N	-1	3	487.512	4.825	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000102741937	569819089	/nfs/dbraw/zinc/81/90/89/569819089.db2.gz	GJVYHXULAHPFTM-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	ZINC000102765711	569822869	/nfs/dbraw/zinc/82/28/69/569822869.db2.gz	BZPAHXGGPZOEPF-XPWALMASSA-N	-1	3	477.904	4.916	50	5		JJBAHM
CCCCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000103140246	569833254	/nfs/dbraw/zinc/83/32/54/569833254.db2.gz	YQAIIBRNBTWWED-UKILVPOCSA-N	-1	3	484.512	4.556	50	5		JJBAHM
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000227025653	570039661	/nfs/dbraw/zinc/03/96/61/570039661.db2.gz	OFCILHBPDUWKEH-YTFSRNRJSA-N	-1	3	477.904	4.862	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2Cl)cc1	ZINC000229932807	570042531	/nfs/dbraw/zinc/04/25/31/570042531.db2.gz	BOPVQJYHDXWSQO-BHDDXSALSA-N	-1	3	463.877	4.608	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	ZINC000229956536	570042565	/nfs/dbraw/zinc/04/25/65/570042565.db2.gz	BZPAHXGGPZOEPF-YTFSRNRJSA-N	-1	3	477.904	4.916	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000229956453	570042654	/nfs/dbraw/zinc/04/26/54/570042654.db2.gz	TXRMFAGOPOCSLU-YTFSRNRJSA-N	-1	3	477.904	4.916	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000245247500	570059409	/nfs/dbraw/zinc/05/94/09/570059409.db2.gz	TXRMFAGOPOCSLU-DNVJHFABSA-N	-1	3	477.904	4.916	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000245312044	570063719	/nfs/dbraw/zinc/06/37/19/570063719.db2.gz	RYZYEFDVPIMKHC-UBFVSLLYSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl	ZINC000001140953	194044722	/nfs/dbraw/zinc/04/47/22/194044722.db2.gz	QAYZFBXFCJCSAR-UHFFFAOYSA-N	-1	3	453.863	4.535	50	5		JJBAHM
CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000003305540	194274597	/nfs/dbraw/zinc/27/45/97/194274597.db2.gz	QEXVPUGYPPSDGJ-UHFFFAOYSA-N	-1	3	462.505	4.831	50	5		JJBAHM
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000004088165	194376530	/nfs/dbraw/zinc/37/65/30/194376530.db2.gz	NXQHIKJXLARFSJ-UHFFFAOYSA-N	-1	3	450.501	4.704	50	5		JJBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](c3nccn3C)c3ccccc3)c([N+](=O)[O-])c2)c(C)c1	ZINC000009914953	195022900	/nfs/dbraw/zinc/02/29/00/195022900.db2.gz	XUHLSIZMWISTJB-XMMPIXPASA-N	-1	3	491.573	4.947	50	5		JJBAHM
Cc1ccc(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	ZINC000009518476	555313660	/nfs/dbraw/zinc/31/36/60/555313660.db2.gz	ZIKOMNQYTIRCJB-UHFFFAOYSA-N	-1	3	459.414	4.883	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cc(Cl)cc(Cl)c1	ZINC000100906637	569775000	/nfs/dbraw/zinc/77/50/00/569775000.db2.gz	SUFMMOGATWGVPE-CTNGQTDRSA-N	-1	3	481.295	4.684	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000102738410	569818859	/nfs/dbraw/zinc/81/88/59/569818859.db2.gz	XMYGPLNWPYZVHL-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2Cl)cc1	ZINC000102745377	569819789	/nfs/dbraw/zinc/81/97/89/569819789.db2.gz	BOPVQJYHDXWSQO-BHIFYINESA-N	-1	3	463.877	4.608	50	5		JJBAHM
CCCCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000103140242	569833235	/nfs/dbraw/zinc/83/32/35/569833235.db2.gz	YQAIIBRNBTWWED-ZCYQVOJMSA-N	-1	3	484.512	4.556	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1	ZINC000137884937	569865392	/nfs/dbraw/zinc/86/53/92/569865392.db2.gz	JQULETKQGCNLTD-PWRODBHTSA-N	-1	3	499.401	4.545	50	5		JJBAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000143594469	569867583	/nfs/dbraw/zinc/86/75/83/569867583.db2.gz	VGZLNELXZVIVMT-BHDDXSALSA-N	-1	3	463.877	4.608	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000226993571	570039724	/nfs/dbraw/zinc/03/97/24/570039724.db2.gz	BNRPMTUMQDZPAK-PCCBWWKXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000229901819	570042202	/nfs/dbraw/zinc/04/22/02/570042202.db2.gz	BFURDYFRTOVTEE-YTFSRNRJSA-N	-1	3	493.903	4.698	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000245247784	570059476	/nfs/dbraw/zinc/05/94/76/570059476.db2.gz	XFPFRSWGFYOUEZ-YPAWHYETSA-N	-1	3	463.877	4.608	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000245312042	570063726	/nfs/dbraw/zinc/06/37/26/570063726.db2.gz	RYZYEFDVPIMKHC-ISJGIBHGSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009288175	194663146	/nfs/dbraw/zinc/66/31/46/194663146.db2.gz	AWEMUSNXCYCNEW-NJDAHSKKSA-N	-1	3	483.402	4.665	50	5		JJBAHM
O=C([N-]c1nnc(CSCc2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000002844248	554375125	/nfs/dbraw/zinc/37/51/25/554375125.db2.gz	HPBASGPVBWYEEU-UHFFFAOYSA-N	-1	3	465.354	4.895	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009075960	554887247	/nfs/dbraw/zinc/88/72/47/554887247.db2.gz	ZZGDUMSFNPCPEV-SFHLNBCPSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3cnn(-c4ccccc4)c3)c([N+](=O)[O-])c2)c(C)c1	ZINC000009116150	554903429	/nfs/dbraw/zinc/90/34/29/554903429.db2.gz	KDPJXTYVQKOSQM-UHFFFAOYSA-N	-1	3	477.546	4.810	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000009286620	555060434	/nfs/dbraw/zinc/06/04/34/555060434.db2.gz	VFYBMGMVZNNLCW-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1	ZINC000013787916	555619779	/nfs/dbraw/zinc/61/97/79/555619779.db2.gz	JQULETKQGCNLTD-NJDAHSKKSA-N	-1	3	499.401	4.545	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000018145293	556293943	/nfs/dbraw/zinc/29/39/43/556293943.db2.gz	VFYBMGMVZNNLCW-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)c3ccccc3OC)c([N+](=O)[O-])c2)cc1	ZINC000089909832	569720365	/nfs/dbraw/zinc/72/03/65/569720365.db2.gz	DTPRKWDSXHEHBK-OAHLLOKOSA-N	-1	3	457.508	4.586	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000102741940	569819098	/nfs/dbraw/zinc/81/90/98/569819098.db2.gz	GJVYHXULAHPFTM-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000102752140	569820811	/nfs/dbraw/zinc/82/08/11/569820811.db2.gz	PNRAUUFHWKLZIG-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000137625678	569865043	/nfs/dbraw/zinc/86/50/43/569865043.db2.gz	GJVYHXULAHPFTM-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000245246369	570059123	/nfs/dbraw/zinc/05/91/23/570059123.db2.gz	JUJYJBMCGMULIJ-YPAWHYETSA-N	-1	3	463.877	4.608	50	5		JJBAHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002064362	194156542	/nfs/dbraw/zinc/15/65/42/194156542.db2.gz	FRHDZWLQTMKUPC-UHFFFAOYSA-N	-1	3	450.501	4.704	50	5		JJBAHM
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000003235391	194246979	/nfs/dbraw/zinc/24/69/79/194246979.db2.gz	SVEHGLMWDPQJTO-UHFFFAOYSA-N	-1	3	478.244	4.786	50	5		JJBAHM
COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-]	ZINC000002979351	554416929	/nfs/dbraw/zinc/41/69/29/554416929.db2.gz	WBGFFWFUMWRWNX-UHFFFAOYSA-N	-1	3	480.527	4.713	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000009185582	554958334	/nfs/dbraw/zinc/95/83/34/554958334.db2.gz	MNXKREDWCRGYCZ-UBFVSLLYSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000013748800	555607826	/nfs/dbraw/zinc/60/78/26/555607826.db2.gz	FBYSAYMXYXOGMA-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020212940	555706458	/nfs/dbraw/zinc/70/64/58/555706458.db2.gz	VDUBUALNVBKPMH-VWLOTQADSA-N	-1	3	498.495	4.920	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000020212940	555706459	/nfs/dbraw/zinc/70/64/59/555706459.db2.gz	VDUBUALNVBKPMH-VWLOTQADSA-N	-1	3	498.495	4.920	50	5		JJBAHM
O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000015437234	555908821	/nfs/dbraw/zinc/90/88/21/555908821.db2.gz	BPNZCLASIJDNAX-UHFFFAOYSA-N	-1	3	466.302	4.955	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000018088529	556285986	/nfs/dbraw/zinc/28/59/86/556285986.db2.gz	WHVBULNDXWUSGW-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc([N-]C(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1	ZINC000101017437	569779554	/nfs/dbraw/zinc/77/95/54/569779554.db2.gz	NQPKDWVKMXHZKV-JOCHJYFZSA-N	-1	3	468.473	4.503	50	5		JJBAHM
CO[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccccc1	ZINC000040135236	569817246	/nfs/dbraw/zinc/81/72/46/569817246.db2.gz	SNUZIQRKAYTCFX-QHCPKHFHSA-N	-1	3	455.536	4.812	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000102738407	569818926	/nfs/dbraw/zinc/81/89/26/569818926.db2.gz	XMYGPLNWPYZVHL-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000102752138	569820851	/nfs/dbraw/zinc/82/08/51/569820851.db2.gz	PNRAUUFHWKLZIG-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000102756426	569821233	/nfs/dbraw/zinc/82/12/33/569821233.db2.gz	RYZYEFDVPIMKHC-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2ccccc2c1	ZINC000103537594	569835988	/nfs/dbraw/zinc/83/59/88/569835988.db2.gz	LORZOHOGGFVLCX-ILBGXUMGSA-N	-1	3	462.465	4.531	50	5		JJBAHM
CCOC(=O)c1c(C)c(C(=O)N2CCCCC2)sc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000001067565	194014828	/nfs/dbraw/zinc/01/48/28/194014828.db2.gz	LVUVPFZZEGZOMT-UHFFFAOYSA-N	-1	3	479.942	4.673	50	5		JJBAHM
Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000009423408	194765534	/nfs/dbraw/zinc/76/55/34/194765534.db2.gz	ADZOOHXXDUAGPM-UHFFFAOYSA-N	-1	3	474.473	4.506	50	5		JJBAHM
COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2[O-])cc1	ZINC000009160491	554949765	/nfs/dbraw/zinc/94/97/65/554949765.db2.gz	SIFRQNIVXUVSHH-UHFFFAOYSA-N	-1	3	461.430	4.848	50	5		JJBAHM
Cc1cccc2c([O-])c3c(=O)cc(OCC(=O)Nc4ccc(Br)cc4)cc-3oc12	ZINC000013591382	555525798	/nfs/dbraw/zinc/52/57/98/555525798.db2.gz	DJNUEAXBBXBKGY-UHFFFAOYSA-N	-1	3	454.276	4.740	50	5		JJBAHM
Cc1cccc2c(=O)c3c([O-])cc(OCC(=O)Nc4ccc(Br)cc4)cc3oc12	ZINC000013591382	555525800	/nfs/dbraw/zinc/52/58/00/555525800.db2.gz	DJNUEAXBBXBKGY-UHFFFAOYSA-N	-1	3	454.276	4.740	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000013748798	555607645	/nfs/dbraw/zinc/60/76/45/555607645.db2.gz	FBYSAYMXYXOGMA-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212930	555706467	/nfs/dbraw/zinc/70/64/67/555706467.db2.gz	MNPZBGDVKGRHAC-XMMPIXPASA-N	-1	3	468.469	4.911	50	5		JJBAHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212930	555706470	/nfs/dbraw/zinc/70/64/70/555706470.db2.gz	MNPZBGDVKGRHAC-XMMPIXPASA-N	-1	3	468.469	4.911	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000017992901	556274794	/nfs/dbraw/zinc/27/47/94/556274794.db2.gz	MNXKREDWCRGYCZ-DSNGMDLFSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000018046411	556279943	/nfs/dbraw/zinc/27/99/43/556279943.db2.gz	ZZGDUMSFNPCPEV-SVFBPWRDSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000018066847	556282681	/nfs/dbraw/zinc/28/26/81/556282681.db2.gz	CFLOBRJPPPOLTK-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018102910	556288115	/nfs/dbraw/zinc/28/81/15/556288115.db2.gz	HVHAQXLUHGXITG-VXNXHJTFSA-N	-1	3	471.513	4.943	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc2ccccc21	ZINC000100858721	569772616	/nfs/dbraw/zinc/77/26/16/569772616.db2.gz	VFROVPQNBYBLSL-NOZRDPDXSA-N	-1	3	462.465	4.531	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1Cl	ZINC000101342829	569793605	/nfs/dbraw/zinc/79/36/05/569793605.db2.gz	WMNITMGIFJDFOY-FPOVZHCZSA-N	-1	3	481.295	4.684	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102725695	569817670	/nfs/dbraw/zinc/81/76/70/569817670.db2.gz	HTMKSIUKRBNEIZ-ISJGIBHGSA-N	-1	3	465.465	4.799	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2Cl)cc1	ZINC000102745374	569819780	/nfs/dbraw/zinc/81/97/80/569819780.db2.gz	BOPVQJYHDXWSQO-FDFHNCONSA-N	-1	3	463.877	4.608	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000102760890	569822016	/nfs/dbraw/zinc/82/20/16/569822016.db2.gz	TXRMFAGOPOCSLU-XPWALMASSA-N	-1	3	477.904	4.916	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000102761363	569822127	/nfs/dbraw/zinc/82/21/27/569822127.db2.gz	PTRLPRDADMWKPV-XPWALMASSA-N	-1	3	493.903	4.698	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000102765137	569822829	/nfs/dbraw/zinc/82/28/29/569822829.db2.gz	JUJYJBMCGMULIJ-FDFHNCONSA-N	-1	3	463.877	4.608	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000102765141	569822913	/nfs/dbraw/zinc/82/29/13/569822913.db2.gz	JUJYJBMCGMULIJ-BHIFYINESA-N	-1	3	463.877	4.608	50	5		JJBAHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000102766359	569823088	/nfs/dbraw/zinc/82/30/88/569823088.db2.gz	BFURDYFRTOVTEE-RJGXRXQPSA-N	-1	3	493.903	4.698	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cc(Cl)cc(Cl)c1	ZINC000103590960	569836488	/nfs/dbraw/zinc/83/64/88/569836488.db2.gz	SUFMMOGATWGVPE-PZJWPPBQSA-N	-1	3	481.295	4.684	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000143596404	569867618	/nfs/dbraw/zinc/86/76/18/569867618.db2.gz	WHVBULNDXWUSGW-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000229901580	570041954	/nfs/dbraw/zinc/04/19/54/570041954.db2.gz	FDQDELDTXWZPNF-PWRODBHTSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21	ZINC000229967721	570042878	/nfs/dbraw/zinc/04/28/78/570042878.db2.gz	HXXMZGFZVHQYJX-ISJGIBHGSA-N	-1	3	465.465	4.799	50	5		JJBAHM
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(=O)c3c([O-])c4ccccc4oc-3c2)CC1	ZINC000245326010	570064451	/nfs/dbraw/zinc/06/44/51/570064451.db2.gz	IOAFVJOKCOOQCZ-WKILWMFISA-N	-1	3	467.518	4.888	50	5		JJBAHM
CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000001111886	194028139	/nfs/dbraw/zinc/02/81/39/194028139.db2.gz	NQXMBMDHBPIKQC-UHFFFAOYSA-N	-1	3	467.931	4.529	50	5		JJBAHM
CC[C@@H](C)Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000003877361	194366129	/nfs/dbraw/zinc/36/61/29/194366129.db2.gz	AJVPZTOSBMBBRV-MRVPVSSYSA-N	-1	3	454.331	4.606	50	5		JJBAHM
CCN(CC)C(=O)c1sc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C	ZINC000000671002	553745343	/nfs/dbraw/zinc/74/53/43/553745343.db2.gz	NVPIGYRLOQDRRD-UHFFFAOYSA-N	-1	3	481.958	4.918	50	5		JJBAHM
CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002101392	554042670	/nfs/dbraw/zinc/04/26/70/554042670.db2.gz	DZRHGTYFIKSNTC-UHFFFAOYSA-N	-1	3	498.473	4.554	50	5		JJBAHM
COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc1[N+](=O)[O-]	ZINC000002982487	554418051	/nfs/dbraw/zinc/41/80/51/554418051.db2.gz	MFFLMGYDTPYJBS-UHFFFAOYSA-N	-1	3	492.513	4.861	50	5		JJBAHM
O=C([N-]c1ccc(Br)cc1F)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000008454224	554599583	/nfs/dbraw/zinc/59/95/83/554599583.db2.gz	GMVJOQMZYPBOEX-UHFFFAOYSA-N	-1	3	463.307	4.871	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009312795	555088830	/nfs/dbraw/zinc/08/88/30/555088830.db2.gz	FPWJGVZMUJRDLG-NJDAHSKKSA-N	-1	3	484.295	4.953	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000013513518	555484633	/nfs/dbraw/zinc/48/46/33/555484633.db2.gz	CJNZCBZZPHBHJA-DSNGMDLFSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1	ZINC000013787918	555619774	/nfs/dbraw/zinc/61/97/74/555619774.db2.gz	JQULETKQGCNLTD-QHAWAJNXSA-N	-1	3	499.401	4.545	50	5		JJBAHM
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(Cl)cc1Cl	ZINC000012376483	555964096	/nfs/dbraw/zinc/96/40/96/555964096.db2.gz	FDPDMTUSJBNTSO-UHFFFAOYSA-N	-1	3	480.329	4.632	50	5		JJBAHM
CCOC(=O)c1c([C@@H]2COc3ccccc3O2)csc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000027528347	556290322	/nfs/dbraw/zinc/29/03/22/556290322.db2.gz	PEASBTFRSZIZMP-SFHVURJKSA-N	-1	3	499.457	4.506	50	5		JJBAHM
COCCNc1ccc(CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1	ZINC000062587352	569611950	/nfs/dbraw/zinc/61/19/50/569611950.db2.gz	KNGRZZNAEJBENP-UHFFFAOYSA-N	-1	3	484.578	4.683	50	5		JJBAHM
O=C([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1cccc([N+](=O)[O-])c1	ZINC000101010553	569779118	/nfs/dbraw/zinc/77/91/18/569779118.db2.gz	SEJDPDFQLOQJJW-OAQYLSRUSA-N	-1	3	456.437	4.634	50	5		JJBAHM
CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000102710840	569816981	/nfs/dbraw/zinc/81/69/81/569816981.db2.gz	PAKCWQZRQFKPKC-CCDWMCETSA-N	-1	3	487.512	4.825	50	5		JJBAHM
CCCCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1	ZINC000103140250	569833262	/nfs/dbraw/zinc/83/32/62/569833262.db2.gz	YQAIIBRNBTWWED-ILBGXUMGSA-N	-1	3	484.512	4.556	50	5		JJBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc2ccccc2c1	ZINC000103537607	569835972	/nfs/dbraw/zinc/83/59/72/569835972.db2.gz	LORZOHOGGFVLCX-ZCYQVOJMSA-N	-1	3	462.465	4.531	50	5		JJBAHM
CC[C@H](C)Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000003877362	194366134	/nfs/dbraw/zinc/36/61/34/194366134.db2.gz	AJVPZTOSBMBBRV-QMMMGPOBSA-N	-1	3	454.331	4.606	50	5		JJBAHM
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCN(c3ccccc3Cl)CC2)cc1Nc1cccc([O-])c1	ZINC000003880492	194366460	/nfs/dbraw/zinc/36/64/60/194366460.db2.gz	JRNPGXNPBFKLBE-UHFFFAOYSA-N	-1	3	469.885	4.932	50	5		JJBAHM
CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000002762610	554332623	/nfs/dbraw/zinc/33/26/23/554332623.db2.gz	ZDBJFFFNUZOVQZ-UHFFFAOYSA-N	-1	3	483.502	4.655	50	5		JJBAHM
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3[O-])oc2c1	ZINC000002879947	554401466	/nfs/dbraw/zinc/40/14/66/554401466.db2.gz	LJYYTEBBRKABCZ-UHFFFAOYSA-N	-1	3	462.487	4.852	50	5		JJBAHM
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)[N-]C2CCCCC2)c(Cl)cc1Cl	ZINC000008442618	554592296	/nfs/dbraw/zinc/59/22/96/554592296.db2.gz	FNXSPZFQJPZEDM-UHFFFAOYSA-N	-1	3	472.350	4.765	50	5		JJBAHM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C)cc1	ZINC000008746083	554649249	/nfs/dbraw/zinc/64/92/49/554649249.db2.gz	YZZRTDOMISVQOT-UHFFFAOYSA-N	-1	3	475.910	4.618	50	5		JJBAHM
O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1ccc([N+](=O)[O-])cc1	ZINC000008922308	554819136	/nfs/dbraw/zinc/81/91/36/554819136.db2.gz	XBEISTIIFNDFMA-LFYBBSHMSA-N	-1	3	464.275	4.932	50	5		JJBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCC[C@@H](C(F)(F)F)C1	ZINC000009127072	554921832	/nfs/dbraw/zinc/92/18/32/554921832.db2.gz	DMZAMEGPYVDFER-GFCCVEGCSA-N	-1	3	463.865	4.828	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000009312561	555088818	/nfs/dbraw/zinc/08/88/18/555088818.db2.gz	SZNGISRRWCCVBE-SFHLNBCPSA-N	-1	3	484.295	4.953	50	5		JJBAHM
COc1ccc(Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1OC	ZINC000009468151	555247237	/nfs/dbraw/zinc/24/72/37/555247237.db2.gz	MLEGIBAWVSGBLS-UHFFFAOYSA-N	-1	3	457.508	4.773	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000013751849	555610056	/nfs/dbraw/zinc/61/00/56/555610056.db2.gz	HTMKSIUKRBNEIZ-DSNGMDLFSA-N	-1	3	465.465	4.799	50	5		JJBAHM
Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015305626	555895028	/nfs/dbraw/zinc/89/50/28/555895028.db2.gz	GZJIBUSEOSPOJQ-UHFFFAOYSA-N	-1	3	494.303	4.727	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000017969974	556273646	/nfs/dbraw/zinc/27/36/46/556273646.db2.gz	BNRPMTUMQDZPAK-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)[N-]c4ccc(OC)cc4[N+](=O)[O-])c3n2)cc1	ZINC000008454747	569591421	/nfs/dbraw/zinc/59/14/21/569591421.db2.gz	OMLPVHSYRPFDMB-UHFFFAOYSA-N	-1	3	469.404	4.512	50	5		JJBAHM
COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc([N-]C(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1	ZINC000101004434	569778903	/nfs/dbraw/zinc/77/89/03/569778903.db2.gz	MIIMRDNPAADAMH-JOCHJYFZSA-N	-1	3	468.473	4.503	50	5		JJBAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101157388	569784846	/nfs/dbraw/zinc/78/48/46/569784846.db2.gz	VGZLNELXZVIVMT-BDTNDASRSA-N	-1	3	463.877	4.608	50	5		JJBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000102730078	569818076	/nfs/dbraw/zinc/81/80/76/569818076.db2.gz	CJNZCBZZPHBHJA-ISJGIBHGSA-N	-1	3	481.464	4.906	50	5		JJBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000102747085	569820211	/nfs/dbraw/zinc/82/02/11/569820211.db2.gz	XHJPICMRXHBYBX-QHAWAJNXSA-N	-1	3	484.295	4.953	50	5		JJBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000229924457	570042382	/nfs/dbraw/zinc/04/23/82/570042382.db2.gz	XFPFRSWGFYOUEZ-BHDDXSALSA-N	-1	3	463.877	4.608	50	5		JJBAHM
CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000229920868	570042402	/nfs/dbraw/zinc/04/24/02/570042402.db2.gz	DDQWRVUFIHYGNV-ISJGIBHGSA-N	-1	3	487.512	4.825	50	5		JJBAHM