smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036673278	520582698	/nfs/dbraw/zinc/58/26/98/520582698.db2.gz	ZKUBYGIPFSEXMR-QGZVFWFLSA-N	-1	0	459.528	3.332	50	5		JGBARM
CCOC(=O)Cc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000009097055	554895936	/nfs/dbraw/zinc/89/59/36/554895936.db2.gz	XVVUHFHQRVMOPW-UHFFFAOYSA-N	-1	0	490.519	3.210	50	5		JGBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1	ZINC000009113758	554900984	/nfs/dbraw/zinc/90/09/84/554900984.db2.gz	LYBLRLJPHKNEDH-UHFFFAOYSA-N	-1	0	468.314	3.232	50	5		JGBARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1	ZINC000009467680	555245280	/nfs/dbraw/zinc/24/52/80/555245280.db2.gz	NYHOLZQLFMURNC-MRXNPFEDSA-N	-1	0	475.523	3.199	50	5		JGBARM
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000013154106	555360073	/nfs/dbraw/zinc/36/00/73/555360073.db2.gz	CNGPYJSDAKZHAF-UHFFFAOYSA-N	-1	0	499.501	3.444	50	5		JGBARM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)nn1	ZINC000009715025	555446154	/nfs/dbraw/zinc/44/61/54/555446154.db2.gz	VYFYEXFXOKBAOE-UHFFFAOYSA-N	-1	0	459.440	3.468	50	5		JGBARM
CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1	ZINC000012520970	555991781	/nfs/dbraw/zinc/99/17/81/555991781.db2.gz	YNWOXCZBCICNDB-LJQANCHMSA-N	-1	0	458.496	3.021	50	5		JGBARM
COc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3c2=O)cc1	ZINC000023143967	556022513	/nfs/dbraw/zinc/02/25/13/556022513.db2.gz	JZMWYBONAIJZKE-UHFFFAOYSA-N	-1	0	466.475	3.412	50	5		JGBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000015938985	556075336	/nfs/dbraw/zinc/07/53/36/556075336.db2.gz	NHLQWTDDOZDGGM-OBXYEHHASA-N	-1	0	499.932	3.066	50	5		JGBARM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135724	556222951	/nfs/dbraw/zinc/22/29/51/556222951.db2.gz	OIDXMNGBAOQHBH-UHFFFAOYSA-N	-1	0	474.437	3.386	50	5		JGBARM
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C(=O)c2cc(Cl)ccc2[O-])cn1	ZINC000013129645	556353289	/nfs/dbraw/zinc/35/32/89/556353289.db2.gz	WYECELYIJYZOOP-UHFFFAOYSA-N	-1	0	478.914	3.401	50	5		JGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3Cl)cc2)n1	ZINC000035154920	569676323	/nfs/dbraw/zinc/67/63/23/569676323.db2.gz	HMGDYFWQBTWSRA-UHFFFAOYSA-N	-1	0	491.913	3.473	50	5		JGBARM
Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@@H]4c2cc([N+](=O)[O-])ccc2[O-])n(C)c(=O)n(C)c3=O)c1	ZINC000035178774	569677461	/nfs/dbraw/zinc/67/74/61/569677461.db2.gz	OWGSCVIMZHOGON-HSZRJFAPSA-N	-1	0	490.516	3.483	50	5		JGBARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000035263051	569678919	/nfs/dbraw/zinc/67/89/19/569678919.db2.gz	BZTYMHMXZSWART-AEFFLSMTSA-N	-1	0	471.267	3.276	50	5		JGBARM
CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)[n-]n(C(=O)c3ccc([N+](=O)[O-])cc3)c2=O)c1	ZINC000100742093	569768441	/nfs/dbraw/zinc/76/84/41/569768441.db2.gz	IUAQFCXQOHHISQ-NRFANRHFSA-N	-1	0	498.451	3.008	50	5		JGBARM
O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	ZINC000102743379	569819484	/nfs/dbraw/zinc/81/94/84/569819484.db2.gz	CKVUZFWTUJPATH-HBMCJLEFSA-N	-1	0	459.414	3.344	50	5		JGBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c(C)c1	ZINC000102782708	569823862	/nfs/dbraw/zinc/82/38/62/569823862.db2.gz	LCICRFYDKGVTOL-ZCRMCLKNSA-N	-1	0	478.505	3.019	50	5		JGBARM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1I	ZINC000001051544	194010430	/nfs/dbraw/zinc/01/04/30/194010430.db2.gz	VBZBDMGHDULBGC-UHFFFAOYSA-N	-1	0	464.237	3.017	50	5		JGBARM
Cc1cc(C)cc(NC(=O)CSC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000003021073	194208804	/nfs/dbraw/zinc/20/88/04/194208804.db2.gz	GDCPUVLSZNXDJC-OVKVCFKUSA-N	-1	0	457.508	3.166	50	5		JGBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1	ZINC000003392488	194311683	/nfs/dbraw/zinc/31/16/83/194311683.db2.gz	UMEKINXMEMCKCO-UHFFFAOYSA-N	-1	0	498.469	3.207	50	5		JGBARM
CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012597923	195043928	/nfs/dbraw/zinc/04/39/28/195043928.db2.gz	TXEQEZQQINXXBL-FQEVSTJZSA-N	-1	0	471.491	3.345	50	5		JGBARM
CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012597922	195043937	/nfs/dbraw/zinc/04/39/37/195043937.db2.gz	TXEQEZQQINXXBL-HXUWFJFHSA-N	-1	0	471.491	3.345	50	5		JGBARM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(I)cc3C)[n+]2[O-])c1	ZINC000016349917	524147234	/nfs/dbraw/zinc/14/72/34/524147234.db2.gz	XPDGGYUJDCVZIE-UHFFFAOYSA-N	-1	0	451.224	3.379	50	5		JGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000016097934	525609145	/nfs/dbraw/zinc/60/91/45/525609145.db2.gz	CGFLXNFIKAIVKU-UHFFFAOYSA-N	-1	0	453.542	3.269	50	5		JGBARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000013579026	526395138	/nfs/dbraw/zinc/39/51/38/526395138.db2.gz	BITWQSFCSSBQNB-UHFFFAOYSA-N	-1	0	463.402	3.341	50	5		JGBARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000013324008	527657796	/nfs/dbraw/zinc/65/77/96/527657796.db2.gz	FKKSBXOUJHIMBA-UONOGXRCSA-N	-1	0	477.926	3.414	50	5		JGBARM
Cc1nn(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CCCC5)o2)c(C)c1[N+](=O)[O-]	ZINC000002780745	554341702	/nfs/dbraw/zinc/34/17/02/554341702.db2.gz	GHBVMMWYHXOBDM-UHFFFAOYSA-N	-1	0	482.522	3.392	50	5		JGBARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1	ZINC000009467682	555245505	/nfs/dbraw/zinc/24/55/05/555245505.db2.gz	NYHOLZQLFMURNC-INIZCTEOSA-N	-1	0	475.523	3.199	50	5		JGBARM
CC(=O)N1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1	ZINC000009468158	555247268	/nfs/dbraw/zinc/24/72/68/555247268.db2.gz	UKMBCQZVGHCSEV-UHFFFAOYSA-N	-1	0	484.481	3.056	50	5		JGBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558049	555809608	/nfs/dbraw/zinc/80/96/08/555809608.db2.gz	PVDUFFZTWOLYLB-UHFFFAOYSA-N	-1	0	468.285	3.286	50	5		JGBARM
COc1ccccc1OCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000015372493	555901267	/nfs/dbraw/zinc/90/12/67/555901267.db2.gz	ZLTUZKMUYXLQTK-UHFFFAOYSA-N	-1	0	471.491	3.213	50	5		JGBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341891	555953874	/nfs/dbraw/zinc/95/38/74/555953874.db2.gz	OHRQYUBNMQUBTK-GOSISDBHSA-N	-1	0	482.522	3.107	50	5		JGBARM
COc1cccc(NC(=O)CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000017969804	556273500	/nfs/dbraw/zinc/27/35/00/556273500.db2.gz	HQKYRHDEUNEANM-UHFFFAOYSA-N	-1	0	498.517	3.115	50	5		JGBARM
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000008685560	562952509	/nfs/dbraw/zinc/95/25/09/562952509.db2.gz	LFMSKLKFZMBNMD-UHFFFAOYSA-N	-1	0	482.584	3.026	50	5		JGBARM
O=C(NCCc1cn2ccccc2n1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000008725499	569600322	/nfs/dbraw/zinc/60/03/22/569600322.db2.gz	BATPQEQCSNIXHS-UHFFFAOYSA-N	-1	0	465.491	3.016	50	5		JGBARM
C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1	ZINC000089930274	569720410	/nfs/dbraw/zinc/72/04/10/569720410.db2.gz	YLRQWDZHGBMNKY-BETUJISGSA-N	-1	0	453.904	3.298	50	5		JGBARM
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1	ZINC000089930275	569720442	/nfs/dbraw/zinc/72/04/42/569720442.db2.gz	YLRQWDZHGBMNKY-STQMWFEESA-N	-1	0	453.904	3.298	50	5		JGBARM
Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2cc([N+](=O)[O-])ccc2[O-])OCC3(C)C)c(=O)n(C)c1=O	ZINC000096523167	569740793	/nfs/dbraw/zinc/74/07/93/569740793.db2.gz	WDLOBTNZSVWTJW-QFIPXVFZSA-N	-1	0	476.489	3.174	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102778620	569823670	/nfs/dbraw/zinc/82/36/70/569823670.db2.gz	AALPIVGVOKXZLY-BUSGDNOQSA-N	-1	0	484.896	3.056	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102777863	569823727	/nfs/dbraw/zinc/82/37/27/569823727.db2.gz	YUIRQXJSEOGENO-BUSGDNOQSA-N	-1	0	484.896	3.056	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)[C@H]2[C@@H](C)O1	ZINC000248056586	570073224	/nfs/dbraw/zinc/07/32/24/570073224.db2.gz	YUIRQXJSEOGENO-LLHUAEEESA-N	-1	0	484.896	3.056	50	5		JGBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1	ZINC000003318275	194279758	/nfs/dbraw/zinc/27/97/58/194279758.db2.gz	CAXZRZCSYXNEAU-UHFFFAOYSA-N	-1	0	458.448	3.467	50	5		JGBARM
COc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2=O)cc1	ZINC000022501633	523315468	/nfs/dbraw/zinc/31/54/68/523315468.db2.gz	MXIUAMVPGQLLAY-UHFFFAOYSA-N	-1	0	466.475	3.412	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1	ZINC000048274564	525470352	/nfs/dbraw/zinc/47/03/52/525470352.db2.gz	GZJADEJKULBYDW-PZJWPPBQSA-N	-1	0	475.523	3.188	50	5		JGBARM
Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1[N+](=O)[O-]	ZINC000016095165	525620779	/nfs/dbraw/zinc/62/07/79/525620779.db2.gz	FSTXHOJJBYWDHZ-UHFFFAOYSA-N	-1	0	465.553	3.117	50	5		JGBARM
O=C1[N-]C(C(F)(F)F)(C(F)(F)F)N=C2SC(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)=CN21	ZINC000002345925	554158973	/nfs/dbraw/zinc/15/89/73/554158973.db2.gz	MIKWHOHZKMHGTB-UHFFFAOYSA-N	-1	0	476.336	3.321	50	5		JGBARM
COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c([N+](=O)[O-])cc1OC	ZINC000002734703	554318898	/nfs/dbraw/zinc/31/88/98/554318898.db2.gz	AGRLWHMCVOWRFM-UHFFFAOYSA-N	-1	0	464.481	3.122	50	5		JGBARM
Cc1nn(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CCC5)o2)c(C)c1[N+](=O)[O-]	ZINC000002778042	554340823	/nfs/dbraw/zinc/34/08/23/554340823.db2.gz	MLGAHUSBUIHKHY-UHFFFAOYSA-N	-1	0	468.495	3.002	50	5		JGBARM
CCCOc1c(I)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000009234835	555008776	/nfs/dbraw/zinc/00/87/76/555008776.db2.gz	PVZOJKPVYZUZRF-AATRIKPKSA-N	-1	0	487.250	3.346	50	5		JGBARM
CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(Cl)ccc3[O-])cn2)c([N+](=O)[O-])c1	ZINC000009714597	555444005	/nfs/dbraw/zinc/44/40/05/555444005.db2.gz	ZDUXDGRVWJDWJG-UHFFFAOYSA-N	-1	0	478.914	3.401	50	5		JGBARM
CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009808361	555519526	/nfs/dbraw/zinc/51/95/26/555519526.db2.gz	XIKKXFCHQTWDCM-QGZVFWFLSA-N	-1	0	454.512	3.392	50	5		JGBARM
CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(C)ccc3[O-])cn2)c([N+](=O)[O-])c1	ZINC000012530270	556000334	/nfs/dbraw/zinc/00/03/34/556000334.db2.gz	YZSKNZHIXQZXAQ-UHFFFAOYSA-N	-1	0	458.496	3.056	50	5		JGBARM
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000035579350	569704893	/nfs/dbraw/zinc/70/48/93/569704893.db2.gz	FOSFXGAXRZJFNE-IBGZPJMESA-N	-1	0	466.454	3.227	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@H]2[C@@H](C)O1	ZINC000248024235	570072901	/nfs/dbraw/zinc/07/29/01/570072901.db2.gz	MYYHYCWOZXBTFS-LLHUAEEESA-N	-1	0	484.896	3.056	50	5		JGBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1C	ZINC000001787735	194140691	/nfs/dbraw/zinc/14/06/91/194140691.db2.gz	NTFZKWIBEVVKSB-UHFFFAOYSA-N	-1	0	461.412	3.161	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4Cc5ccccc5[C@@H]43)C2=O)cc1	ZINC000012420784	524395428	/nfs/dbraw/zinc/39/54/28/524395428.db2.gz	TXPZSXRWIJIRNS-ATIYNZHBSA-N	-1	0	484.468	3.490	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@@H](C)C[C@@H]43)C2=O)cc1	ZINC000017014579	524397830	/nfs/dbraw/zinc/39/78/30/524397830.db2.gz	VIQRCMMTSGIJPY-UHXKVLTISA-N	-1	0	464.478	3.238	50	5		JGBARM
N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000020478526	526845731	/nfs/dbraw/zinc/84/57/31/526845731.db2.gz	WEMKRHYMWHAEGR-UHFFFAOYSA-N	-1	0	471.476	3.330	50	5		JGBARM
O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCc1nc2ccccc2[nH]1	ZINC000016694547	527237769	/nfs/dbraw/zinc/23/77/69/527237769.db2.gz	QXOFONBGGLWAMD-UHFFFAOYSA-N	-1	0	465.491	3.131	50	5		JGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)nc(C)n1	ZINC000006025950	554500518	/nfs/dbraw/zinc/50/05/18/554500518.db2.gz	CWVUMEYCWYPVNW-IZZDOVSWSA-N	-1	0	453.480	3.454	50	5		JGBARM
O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	ZINC000009281311	555050584	/nfs/dbraw/zinc/05/05/84/555050584.db2.gz	CKVUZFWTUJPATH-NJDAHSKKSA-N	-1	0	459.414	3.344	50	5		JGBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1	ZINC000009714658	555444196	/nfs/dbraw/zinc/44/41/96/555444196.db2.gz	HAUIPAABHRLOJH-UHFFFAOYSA-N	-1	0	475.914	3.343	50	5		JGBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@H](CO)C1	ZINC000015210079	555884588	/nfs/dbraw/zinc/88/45/88/555884588.db2.gz	XYZKWTJYIBFIIW-ZDUSSCGKSA-N	-1	0	457.455	3.206	50	5		JGBARM
C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1	ZINC000024528755	556134915	/nfs/dbraw/zinc/13/49/15/556134915.db2.gz	GUNHTDYJIXNGCI-IAGOWNOFSA-N	-1	0	490.582	3.013	50	5		JGBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl	ZINC000012924012	556142547	/nfs/dbraw/zinc/14/25/47/556142547.db2.gz	OFFDPIHTWGHWEH-UHFFFAOYSA-N	-1	0	459.933	3.224	50	5		JGBARM
Cc1cccc(-c2c3c(c4n2C(C)(C)CO[C@H]4c2cc([N+](=O)[O-])ccc2[O-])n(C)c(=O)n(C)c3=O)c1	ZINC000035178778	569677408	/nfs/dbraw/zinc/67/74/08/569677408.db2.gz	OWGSCVIMZHOGON-QHCPKHFHSA-N	-1	0	490.516	3.483	50	5		JGBARM
O=C([O-])[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000089469886	569718591	/nfs/dbraw/zinc/71/85/91/569718591.db2.gz	XFVSVNWYIWINEC-HNNXBMFYSA-N	-1	0	478.374	3.467	50	5		JGBARM
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccccc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000035877084	569719767	/nfs/dbraw/zinc/71/97/67/569719767.db2.gz	COVIKZDDZQNWQH-UHFFFAOYSA-N	-1	0	468.462	3.412	50	5		JGBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1	ZINC000100864966	569772864	/nfs/dbraw/zinc/77/28/64/569772864.db2.gz	IXBAPRHXVWSYRR-CTNGQTDRSA-N	-1	0	457.402	3.286	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@@H]43)C2=O)cc1	ZINC000102774257	569823635	/nfs/dbraw/zinc/82/36/35/569823635.db2.gz	VIQRCMMTSGIJPY-KVGGTASHSA-N	-1	0	464.478	3.034	50	5		JGBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c1C	ZINC000102783060	569823801	/nfs/dbraw/zinc/82/38/01/569823801.db2.gz	YCCGVXCMFMUAAV-GMAZWMKUSA-N	-1	0	478.505	3.019	50	5		JGBARM
CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c(Br)cc2C[C@H]1C	ZINC000040450622	569828755	/nfs/dbraw/zinc/82/87/55/569828755.db2.gz	QSVKLUGIIBPRRM-SNVBAGLBSA-N	-1	0	454.302	3.456	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000103920138	569839242	/nfs/dbraw/zinc/83/92/42/569839242.db2.gz	LBLFAHLMBWKSMM-IFMALSPDSA-N	-1	0	487.428	3.294	50	5		JGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000004647264	194393172	/nfs/dbraw/zinc/39/31/72/194393172.db2.gz	OVSCYRWQZNESIX-OAHLLOKOSA-N	-1	0	471.495	3.208	50	5		JGBARM
CC(=O)NC([N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(F)(F)F)C(F)(F)F	ZINC000008445282	194450375	/nfs/dbraw/zinc/45/03/75/194450375.db2.gz	NSJHAOMYGBLJII-UHFFFAOYSA-N	-1	0	492.379	3.253	50	5		JGBARM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(Cc2cccs2)CC1	ZINC000012631333	195063511	/nfs/dbraw/zinc/06/35/11/195063511.db2.gz	ILHIBHNJACUYTH-UHFFFAOYSA-N	-1	0	486.575	3.415	50	5		JGBARM
C[C@H](c1ccccc1)N1CCN(C(=O)COc2cc(NCCCC(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000012782784	195125397	/nfs/dbraw/zinc/12/53/97/195125397.db2.gz	PPHALMXDCBDFKP-GOSISDBHSA-N	-1	0	470.526	3.156	50	5		JGBARM
CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCC(=O)[O-])cc1	ZINC000016114936	520861811	/nfs/dbraw/zinc/86/18/11/520861811.db2.gz	YILVTWLOUUTIHK-HMMYKYKNSA-N	-1	0	455.467	3.136	50	5		JGBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCC[C@H](C(N)=O)C2)c1C	ZINC000040134991	525555957	/nfs/dbraw/zinc/55/59/57/525555957.db2.gz	BVWUNLGLMQOKIX-AWEZNQCLSA-N	-1	0	494.957	3.003	50	5		JGBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000009031819	526305697	/nfs/dbraw/zinc/30/56/97/526305697.db2.gz	DBMVHOIRWKBMNQ-CIPTZOQDSA-N	-1	0	459.458	3.178	50	5		JGBARM
CCc1cc2c(nc(C)n([N-]C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c2=O)s1	ZINC000002780899	554341819	/nfs/dbraw/zinc/34/18/19/554341819.db2.gz	BORNPZHTWFMEQQ-UHFFFAOYSA-N	-1	0	456.484	3.076	50	5		JGBARM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000009090194	554891132	/nfs/dbraw/zinc/89/11/32/554891132.db2.gz	ALBWRWVEOLCMFT-XHBSWPGZSA-N	-1	0	481.355	3.362	50	5		JGBARM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009540006	555332421	/nfs/dbraw/zinc/33/24/21/555332421.db2.gz	SCDMARQITKKNPD-UHFFFAOYSA-N	-1	0	484.509	3.497	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000009546109	555340101	/nfs/dbraw/zinc/34/01/01/555340101.db2.gz	WWQHETUOJIJRMY-UHFFFAOYSA-N	-1	0	485.474	3.063	50	5		JGBARM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000013306875	555375409	/nfs/dbraw/zinc/37/54/09/555375409.db2.gz	ALBWRWVEOLCMFT-HSMVNMDESA-N	-1	0	481.355	3.362	50	5		JGBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1	ZINC000009714621	555443937	/nfs/dbraw/zinc/44/39/37/555443937.db2.gz	VXAHMSURAJDYIJ-UHFFFAOYSA-N	-1	0	475.914	3.343	50	5		JGBARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000015938983	556075262	/nfs/dbraw/zinc/07/52/62/556075262.db2.gz	NHLQWTDDOZDGGM-BUDOKORBSA-N	-1	0	499.932	3.066	50	5		JGBARM
C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1	ZINC000089930276	569720422	/nfs/dbraw/zinc/72/04/22/569720422.db2.gz	YLRQWDZHGBMNKY-CHWSQXEVSA-N	-1	0	453.904	3.298	50	5		JGBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1C	ZINC000040134992	569817174	/nfs/dbraw/zinc/81/71/74/569817174.db2.gz	BVWUNLGLMQOKIX-CQSZACIVSA-N	-1	0	494.957	3.003	50	5		JGBARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c1	ZINC000102780795	569823750	/nfs/dbraw/zinc/82/37/50/569823750.db2.gz	SQORGOSFASGLRC-ZCRMCLKNSA-N	-1	0	478.505	3.019	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102780108	569823771	/nfs/dbraw/zinc/82/37/71/569823771.db2.gz	MYYHYCWOZXBTFS-BUSGDNOQSA-N	-1	0	484.896	3.056	50	5		JGBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1	ZINC000103587821	569836480	/nfs/dbraw/zinc/83/64/80/569836480.db2.gz	IXBAPRHXVWSYRR-PZJWPPBQSA-N	-1	0	457.402	3.286	50	5		JGBARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000105446743	569853032	/nfs/dbraw/zinc/85/30/32/569853032.db2.gz	BZTYMHMXZSWART-SJLPKXTDSA-N	-1	0	471.267	3.276	50	5		JGBARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000218002478	569882331	/nfs/dbraw/zinc/88/23/31/569882331.db2.gz	PBGARJUYIJOFFN-LLVKDONJSA-N	-1	0	453.359	3.088	50	5		JGBARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000226939092	570039449	/nfs/dbraw/zinc/03/94/49/570039449.db2.gz	NATCCOPVGBHQHE-PCCBWWKXSA-N	-1	0	459.414	3.344	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)cc1	ZINC000230057768	570044094	/nfs/dbraw/zinc/04/40/94/570044094.db2.gz	OYXOJEHXLWFDSD-RDPSFJRHSA-N	-1	0	464.478	3.178	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@H]2[C@H](C)O1	ZINC000248024241	570072896	/nfs/dbraw/zinc/07/28/96/570072896.db2.gz	MYYHYCWOZXBTFS-NOIAWWCKSA-N	-1	0	484.896	3.056	50	5		JGBARM
Cc1cc(C)cc(NC(=O)CSC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1	ZINC000003021069	194208743	/nfs/dbraw/zinc/20/87/43/194208743.db2.gz	GDCPUVLSZNXDJC-GHOSXJJBSA-N	-1	0	457.508	3.166	50	5		JGBARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000020762355	195218584	/nfs/dbraw/zinc/21/85/84/195218584.db2.gz	VOLCVOGMBZYJEW-UHFFFAOYSA-N	-1	0	478.895	3.302	50	5		JGBARM
COc1ccc(CNC(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1	ZINC000009762875	524063561	/nfs/dbraw/zinc/06/35/61/524063561.db2.gz	XNGZKLFTRSTWKP-FQEVSTJZSA-N	-1	0	455.854	3.159	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4Cc5ccccc5[C@@H]43)C2=O)cc1	ZINC000012420786	524395543	/nfs/dbraw/zinc/39/55/43/524395543.db2.gz	TXPZSXRWIJIRNS-GJZUVCINSA-N	-1	0	484.468	3.490	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1	ZINC000048274568	525470630	/nfs/dbraw/zinc/47/06/30/525470630.db2.gz	GZJADEJKULBYDW-CTNGQTDRSA-N	-1	0	475.523	3.188	50	5		JGBARM
COc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccc([N+](=O)[O-])cc3)c4=O)c2c1	ZINC000012388877	525493837	/nfs/dbraw/zinc/49/38/37/525493837.db2.gz	XRDCUHVSBYMHFA-UHFFFAOYSA-N	-1	0	459.462	3.430	50	5		JGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002737599	554319914	/nfs/dbraw/zinc/31/99/14/554319914.db2.gz	AZUDHFSJMCCZGC-UHFFFAOYSA-N	-1	0	494.445	3.499	50	5		JGBARM
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C(=O)c2cc(C)ccc2[O-])cn1	ZINC000009690687	555417594	/nfs/dbraw/zinc/41/75/94/555417594.db2.gz	GSHMPZOVEWQDFF-UHFFFAOYSA-N	-1	0	458.496	3.056	50	5		JGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000009730460	555465843	/nfs/dbraw/zinc/46/58/43/555465843.db2.gz	OFNFHDBLPQGUCB-UHFFFAOYSA-N	-1	0	470.492	3.290	50	5		JGBARM
CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009808359	555519517	/nfs/dbraw/zinc/51/95/17/555519517.db2.gz	XIKKXFCHQTWDCM-KRWDZBQOSA-N	-1	0	454.512	3.392	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccc(Br)cc2)=NO1	ZINC000013592341	555527167	/nfs/dbraw/zinc/52/71/67/555527167.db2.gz	CQZOVNLGZXSIBB-IBGZPJMESA-N	-1	0	478.255	3.343	50	5		JGBARM
CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000015391745	555903593	/nfs/dbraw/zinc/90/35/93/555903593.db2.gz	IBNCVRCFYJWJCK-PBHICJAKSA-N	-1	0	459.528	3.332	50	5		JGBARM
COc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1	ZINC000024763423	556152508	/nfs/dbraw/zinc/15/25/08/556152508.db2.gz	PCBJTFFOEBRLDI-UHFFFAOYSA-N	-1	0	483.462	3.238	50	5		JGBARM
CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000056952105	569593073	/nfs/dbraw/zinc/59/30/73/569593073.db2.gz	IBNCVRCFYJWJCK-WMLDXEAASA-N	-1	0	459.528	3.332	50	5		JGBARM
CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000056952107	569593093	/nfs/dbraw/zinc/59/30/93/569593093.db2.gz	IBNCVRCFYJWJCK-YOEHRIQHSA-N	-1	0	459.528	3.332	50	5		JGBARM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OCCNC(=O)OC(C)(C)C)c1	ZINC000072271986	569701277	/nfs/dbraw/zinc/70/12/77/569701277.db2.gz	UPXKBJTWVZLKQS-UHFFFAOYSA-N	-1	0	467.500	3.308	50	5		JGBARM
O=C([O-])CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1	ZINC000038204745	569800929	/nfs/dbraw/zinc/80/09/29/569800929.db2.gz	VETHMWLCYRQQAP-GZTJUZNOSA-N	-1	0	476.283	3.109	50	5		JGBARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000102710223	569816818	/nfs/dbraw/zinc/81/68/18/569816818.db2.gz	NATCCOPVGBHQHE-PWRODBHTSA-N	-1	0	459.414	3.344	50	5		JGBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c(C)c1	ZINC000102780422	569823760	/nfs/dbraw/zinc/82/37/60/569823760.db2.gz	BSIRZOYRQMMDEZ-HXKPRTCISA-N	-1	0	492.532	3.328	50	5		JGBARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000105446739	569852998	/nfs/dbraw/zinc/85/29/98/569852998.db2.gz	BZTYMHMXZSWART-FUHWJXTLSA-N	-1	0	471.267	3.276	50	5		JGBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000229904025	570042134	/nfs/dbraw/zinc/04/21/34/570042134.db2.gz	PDOWDAVQWWOSJZ-AVRDEDQJSA-N	-1	0	454.870	3.433	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2[C@@H](C)O1	ZINC000247989872	570072250	/nfs/dbraw/zinc/07/22/50/570072250.db2.gz	AALPIVGVOKXZLY-LLHUAEEESA-N	-1	0	484.896	3.056	50	5		JGBARM
COc1cc([C@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000001441630	194121322	/nfs/dbraw/zinc/12/13/22/194121322.db2.gz	FCXQBWWIPLNUDL-NRFANRHFSA-N	-1	0	484.490	3.072	50	5		JGBARM
Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)c2ccc(C(=O)[O-])cc2)cc1	ZINC000003111422	194226978	/nfs/dbraw/zinc/22/69/78/194226978.db2.gz	ZEYJCHMZSQGHGF-HXUWFJFHSA-N	-1	0	486.502	3.237	50	5		JGBARM
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020762360	195218526	/nfs/dbraw/zinc/21/85/26/195218526.db2.gz	PBVCCFRVHAHYQV-UHFFFAOYSA-N	-1	0	490.856	3.379	50	5		JGBARM
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1C(=O)[O-]	ZINC000016264905	519759081	/nfs/dbraw/zinc/75/90/81/519759081.db2.gz	CYCAVQMTHISSRW-KWMZMRFFSA-N	-1	0	498.447	3.095	50	5		JGBARM
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1C(=O)[O-]	ZINC000016264901	519759228	/nfs/dbraw/zinc/75/92/28/519759228.db2.gz	CYCAVQMTHISSRW-XDJZYPBNSA-N	-1	0	498.447	3.095	50	5		JGBARM
CCCCOc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCCC(=O)[O-])cc1	ZINC000016115822	520863260	/nfs/dbraw/zinc/86/32/60/520863260.db2.gz	HNXVIFASJLFPRQ-HMMYKYKNSA-N	-1	0	455.467	3.136	50	5		JGBARM
COc1ccc(CNC(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1	ZINC000012464977	524062044	/nfs/dbraw/zinc/06/20/44/524062044.db2.gz	XNGZKLFTRSTWKP-HXUWFJFHSA-N	-1	0	455.854	3.159	50	5		JGBARM
Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000048290573	525295931	/nfs/dbraw/zinc/29/59/31/525295931.db2.gz	QNOAEXPZHZUOHA-UHFFFAOYSA-N	-1	0	457.505	3.018	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1Cl	ZINC000006238615	525470028	/nfs/dbraw/zinc/47/00/28/525470028.db2.gz	ODZNWPRLZQAUOL-UHFFFAOYSA-N	-1	0	476.898	3.383	50	5		JGBARM
O=C([O-])c1ccc2c(c1)C(=O)N(CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCC1)C2=O	ZINC000016399548	526385233	/nfs/dbraw/zinc/38/52/33/526385233.db2.gz	YLRCNPUQARKFPB-UHFFFAOYSA-N	-1	0	480.477	3.064	50	5		JGBARM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000014729646	527359368	/nfs/dbraw/zinc/35/93/68/527359368.db2.gz	QLCJDJBTAVKXAL-UHFFFAOYSA-N	-1	0	485.525	3.384	50	5		JGBARM
Cc1nn(C)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1[N+](=O)[O-]	ZINC000002777523	554340368	/nfs/dbraw/zinc/34/03/68/554340368.db2.gz	IWOLAVPZDQDAJI-LBPRGKRZSA-N	-1	0	458.544	3.251	50	5		JGBARM
COc1ccc(NS(=O)(=O)c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000009120238	554912736	/nfs/dbraw/zinc/91/27/36/554912736.db2.gz	SMEUEBMJXVCDKH-UHFFFAOYSA-N	-1	0	463.493	3.205	50	5		JGBARM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NC(=O)c2ccco2)c(C)c1	ZINC000009140005	554934841	/nfs/dbraw/zinc/93/48/41/554934841.db2.gz	ACXRMWBJVMJNKK-UHFFFAOYSA-N	-1	0	489.535	3.237	50	5		JGBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21	ZINC000009335478	555102878	/nfs/dbraw/zinc/10/28/78/555102878.db2.gz	MPYULMZZLUMGEL-UHFFFAOYSA-N	-1	0	481.486	3.142	50	5		JGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000009373115	555134702	/nfs/dbraw/zinc/13/47/02/555134702.db2.gz	ITUIQVDWLHHJKR-UHFFFAOYSA-N	-1	0	482.522	3.428	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@@H]2[C@H](C)O1	ZINC000009487331	555263382	/nfs/dbraw/zinc/26/33/82/555263382.db2.gz	MYYHYCWOZXBTFS-LERLXCPZSA-N	-1	0	484.896	3.056	50	5		JGBARM
CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000009511942	555301319	/nfs/dbraw/zinc/30/13/19/555301319.db2.gz	DMHIBHJZRAYTST-UHFFFAOYSA-N	-1	0	481.527	3.038	50	5		JGBARM
O=C([O-])c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000014185937	555726940	/nfs/dbraw/zinc/72/69/40/555726940.db2.gz	LKPYBHPAOQELRQ-UHFFFAOYSA-N	-1	0	455.448	3.127	50	5		JGBARM
CN(C)[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1	ZINC000012520969	555991881	/nfs/dbraw/zinc/99/18/81/555991881.db2.gz	YNWOXCZBCICNDB-IBGZPJMESA-N	-1	0	458.496	3.021	50	5		JGBARM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017053559	556214137	/nfs/dbraw/zinc/21/41/37/556214137.db2.gz	DSONLMXPSYGIPL-UHFFFAOYSA-N	-1	0	474.437	3.386	50	5		JGBARM
CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000035579347	569704954	/nfs/dbraw/zinc/70/49/54/569704954.db2.gz	FOSFXGAXRZJFNE-LJQANCHMSA-N	-1	0	466.454	3.227	50	5		JGBARM
O=C([O-])CCCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br	ZINC000096602453	569742638	/nfs/dbraw/zinc/74/26/38/569742638.db2.gz	DDJUGCKZCNKCIB-SFQUDFHCSA-N	-1	0	476.283	3.109	50	5		JGBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1	ZINC000102780427	569823663	/nfs/dbraw/zinc/82/36/63/569823663.db2.gz	BSIRZOYRQMMDEZ-ZGVCLYJRSA-N	-1	0	492.532	3.328	50	5		JGBARM
COc1cc([C@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC	ZINC000003641491	194347323	/nfs/dbraw/zinc/34/73/23/194347323.db2.gz	DXYUJSPZTSYEGI-QFIPXVFZSA-N	-1	0	498.517	3.380	50	5		JGBARM
CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000021345367	195295885	/nfs/dbraw/zinc/29/58/85/195295885.db2.gz	YZGDQWMKIBNAIW-GRSHGNNSSA-N	-1	0	486.458	3.376	50	5		JGBARM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000059402686	195398843	/nfs/dbraw/zinc/39/88/43/195398843.db2.gz	UEEXVIGYZCBNES-XCVCLJGOSA-N	-1	0	488.503	3.047	50	5		JGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1	ZINC000016384216	527393728	/nfs/dbraw/zinc/39/37/28/527393728.db2.gz	GYSPTMLJHKZRSQ-UHFFFAOYSA-N	-1	0	451.457	3.336	50	5		JGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000002502203	527405984	/nfs/dbraw/zinc/40/59/84/527405984.db2.gz	PRPIDUWQFVQNJG-UHFFFAOYSA-N	-1	0	459.505	3.147	50	5		JGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc([N-]S(=O)(=O)c3ccc(Cl)cc3)s2)cc1	ZINC000002310407	554143443	/nfs/dbraw/zinc/14/34/43/554143443.db2.gz	IOOAFOMMVDSKHM-UHFFFAOYSA-N	-1	0	459.914	3.338	50	5		JGBARM
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000009285199	555059265	/nfs/dbraw/zinc/05/92/65/555059265.db2.gz	ODTCRRVDXYHJNQ-UHFFFAOYSA-N	-1	0	457.505	3.099	50	5		JGBARM
C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1	ZINC000009319696	555094214	/nfs/dbraw/zinc/09/42/14/555094214.db2.gz	GUNHTDYJIXNGCI-CALCHBBNSA-N	-1	0	490.582	3.013	50	5		JGBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009433928	555204350	/nfs/dbraw/zinc/20/43/50/555204350.db2.gz	PKJIPIZXNZKINJ-XMSQKQJNSA-N	-1	0	454.870	3.433	50	5		JGBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000009631584	555460703	/nfs/dbraw/zinc/46/07/03/555460703.db2.gz	PKFUFWRGNCVQQA-UHFFFAOYSA-N	-1	0	479.467	3.392	50	5		JGBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](CO)C1	ZINC000015210078	555884513	/nfs/dbraw/zinc/88/45/13/555884513.db2.gz	XYZKWTJYIBFIIW-CYBMUJFWSA-N	-1	0	457.455	3.206	50	5		JGBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccnc2)CC1	ZINC000022317697	555920998	/nfs/dbraw/zinc/92/09/98/555920998.db2.gz	HCZKHTYWHYVSEM-UHFFFAOYSA-N	-1	0	483.550	3.121	50	5		JGBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000015659558	555922668	/nfs/dbraw/zinc/92/26/68/555922668.db2.gz	NHLQWTDDOZDGGM-OLROSQPISA-N	-1	0	499.932	3.066	50	5		JGBARM
CC(C)[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000012381997	555970503	/nfs/dbraw/zinc/97/05/03/555970503.db2.gz	VAEQQORQZGZDRV-RLGUWMIQSA-N	-1	0	490.310	3.354	50	5		JGBARM
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000016594868	556145713	/nfs/dbraw/zinc/14/57/13/556145713.db2.gz	OMMDUHDCAKSKNM-UHFFFAOYSA-N	-1	0	482.518	3.415	50	5		JGBARM
COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000027533970	556293531	/nfs/dbraw/zinc/29/35/31/556293531.db2.gz	AHTMFWJELNZPKA-UAPYWLNTSA-N	-1	0	489.484	3.186	50	5	biogenic	JGBARM
Cc1ccccc1NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000089690553	569719668	/nfs/dbraw/zinc/71/96/68/569719668.db2.gz	CVDZWNLFWZDYOJ-UHFFFAOYSA-N	-1	0	469.475	3.500	50	5		JGBARM
Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2cc([N+](=O)[O-])ccc2[O-])OCC3(C)C)c(=O)n(C)c1=O	ZINC000096523166	569740830	/nfs/dbraw/zinc/74/08/30/569740830.db2.gz	WDLOBTNZSVWTJW-JOCHJYFZSA-N	-1	0	476.489	3.174	50	5		JGBARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c1	ZINC000102780802	569823763	/nfs/dbraw/zinc/82/37/63/569823763.db2.gz	SQORGOSFASGLRC-VLARDLDMSA-N	-1	0	478.505	3.019	50	5		JGBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c1C	ZINC000102783052	569823817	/nfs/dbraw/zinc/82/38/17/569823817.db2.gz	YCCGVXCMFMUAAV-QVIDSDTFSA-N	-1	0	478.505	3.019	50	5		JGBARM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000226355376	570037670	/nfs/dbraw/zinc/03/76/70/570037670.db2.gz	ALBWRWVEOLCMFT-OZVIIMIRSA-N	-1	0	481.355	3.362	50	5		JGBARM
CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@H]32)C1=O	ZINC000229901059	570042055	/nfs/dbraw/zinc/04/20/55/570042055.db2.gz	USNVOFYIDZDVOB-HUJREVKFSA-N	-1	0	462.506	3.377	50	5		JGBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)s1	ZINC000002965359	194184181	/nfs/dbraw/zinc/18/41/81/194184181.db2.gz	QSPIQIJZQCVGRI-IZZDOVSWSA-N	-1	0	459.509	3.461	50	5		JGBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ncn1	ZINC000002996319	194197908	/nfs/dbraw/zinc/19/79/08/194197908.db2.gz	SFZRREQLUCLYJB-UHFFFAOYSA-N	-1	0	463.859	3.100	50	5		JGBARM
O=C([O-])CCCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003026311	194211531	/nfs/dbraw/zinc/21/15/31/194211531.db2.gz	HAYGJXHGHXKDSR-UHFFFAOYSA-N	-1	0	457.302	3.413	50	5		JGBARM
COc1cc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC	ZINC000003641493	194347155	/nfs/dbraw/zinc/34/71/55/194347155.db2.gz	DXYUJSPZTSYEGI-JOCHJYFZSA-N	-1	0	498.517	3.380	50	5		JGBARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC	ZINC000009356080	194710913	/nfs/dbraw/zinc/71/09/13/194710913.db2.gz	ORAHFFHJWGNKAX-UHFFFAOYSA-N	-1	0	485.518	3.385	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1	ZINC000021903127	195328874	/nfs/dbraw/zinc/32/88/74/195328874.db2.gz	DIPPCWYGOOXABG-LJQANCHMSA-N	-1	0	488.522	3.030	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1	ZINC000021903130	195328965	/nfs/dbraw/zinc/32/89/65/195328965.db2.gz	DIPPCWYGOOXABG-IBGZPJMESA-N	-1	0	488.522	3.030	50	5		JGBARM
CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000016115133	520861693	/nfs/dbraw/zinc/86/16/93/520861693.db2.gz	GHSVNHIPMYVKDY-NPQOUYBPSA-N	-1	0	455.467	3.134	50	5		JGBARM
COC(=O)C1=CN(CCc2ccccc2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000016247275	522899411	/nfs/dbraw/zinc/89/94/11/522899411.db2.gz	XSWBTGHDSVNGKJ-UHFFFAOYSA-N	-1	0	468.462	3.065	50	5		JGBARM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)n1	ZINC000002778760	523485859	/nfs/dbraw/zinc/48/58/59/523485859.db2.gz	PHWOVFBYTDNIOV-GFCCVEGCSA-N	-1	0	458.544	3.426	50	5		JGBARM
O=C([O-])c1ccc2c(c1)C(=O)N(CCNc1ccc(C(=O)NC3CCCCC3)cc1[N+](=O)[O-])C2=O	ZINC000016399661	526385181	/nfs/dbraw/zinc/38/51/81/526385181.db2.gz	IWABAMWPGIGVOG-UHFFFAOYSA-N	-1	0	480.477	3.064	50	5		JGBARM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)n1	ZINC000002778759	554341124	/nfs/dbraw/zinc/34/11/24/554341124.db2.gz	PHWOVFBYTDNIOV-LBPRGKRZSA-N	-1	0	458.544	3.426	50	5		JGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(COc3ccc(Br)cc3)c2)cc1	ZINC000002803699	554354881	/nfs/dbraw/zinc/35/48/81/554354881.db2.gz	UEXLAIVHTUVZRB-UHFFFAOYSA-N	-1	0	453.274	3.391	50	5		JGBARM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000009090193	554891281	/nfs/dbraw/zinc/89/12/81/554891281.db2.gz	ALBWRWVEOLCMFT-HWWQOWPSSA-N	-1	0	481.355	3.362	50	5		JGBARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c1	ZINC000009224170	554995603	/nfs/dbraw/zinc/99/56/03/554995603.db2.gz	XVVCRGFFLUWOOY-HNNXBMFYSA-N	-1	0	467.569	3.433	50	5		JGBARM
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009441984	555213268	/nfs/dbraw/zinc/21/32/68/555213268.db2.gz	VHLFTJMMLSWKHW-UHFFFAOYSA-N	-1	0	499.896	3.277	50	5		JGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1	ZINC000009492377	555272208	/nfs/dbraw/zinc/27/22/08/555272208.db2.gz	CDOUQGFXXKUAST-UHFFFAOYSA-N	-1	0	453.542	3.269	50	5		JGBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1Cl	ZINC000009631567	555460498	/nfs/dbraw/zinc/46/04/98/555460498.db2.gz	NNNZXEBJHAXLRR-UHFFFAOYSA-N	-1	0	471.900	3.121	50	5		JGBARM
O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	ZINC000013768778	555613480	/nfs/dbraw/zinc/61/34/80/555613480.db2.gz	CKVUZFWTUJPATH-PWRODBHTSA-N	-1	0	459.414	3.344	50	5		JGBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(I)cc3C)[n+]2[O-])cc1	ZINC000016282762	556132513	/nfs/dbraw/zinc/13/25/13/556132513.db2.gz	UOBUXCOHIXJSFJ-UHFFFAOYSA-N	-1	0	467.223	3.079	50	5		JGBARM
CC(C)[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br)C(=O)[O-]	ZINC000008721651	569598525	/nfs/dbraw/zinc/59/85/25/569598525.db2.gz	KYCOIWSOTDZOJE-PNDHZVEESA-N	-1	0	490.310	3.354	50	5		JGBARM
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000097922815	569745913	/nfs/dbraw/zinc/74/59/13/569745913.db2.gz	NOCHFLZITFAXGP-UHFFFAOYSA-N	-1	0	498.488	3.421	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000100835836	569771947	/nfs/dbraw/zinc/77/19/47/569771947.db2.gz	LBLFAHLMBWKSMM-IRLDBZIGSA-N	-1	0	487.428	3.294	50	5		JGBARM
CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c(Br)cc2C[C@@H]1C	ZINC000040450623	569828687	/nfs/dbraw/zinc/82/86/87/569828687.db2.gz	QSVKLUGIIBPRRM-JTQLQIEISA-N	-1	0	454.302	3.456	50	5		JGBARM
COc1cc([C@@H]2Nc3ccccc3C(=O)N2[N-]S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000001441631	194121305	/nfs/dbraw/zinc/12/13/05/194121305.db2.gz	FCXQBWWIPLNUDL-OAQYLSRUSA-N	-1	0	484.490	3.072	50	5		JGBARM
O=C([O-])c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000002978590	194192267	/nfs/dbraw/zinc/19/22/67/194192267.db2.gz	GVSIOCASZQLUIJ-UHFFFAOYSA-N	-1	0	455.448	3.127	50	5		JGBARM
O=C(COC(=O)c1cc(Br)c(Br)s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003309847	194276329	/nfs/dbraw/zinc/27/63/29/194276329.db2.gz	CFJOILQTDDXDOH-UHFFFAOYSA-N	-1	0	492.101	3.295	50	5		JGBARM
Cc1c([N-]S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)cccc1[N+](=O)[O-]	ZINC000020762370	195218591	/nfs/dbraw/zinc/21/85/91/195218591.db2.gz	XEVLYWMGTBUNEQ-UHFFFAOYSA-N	-1	0	470.438	3.034	50	5		JGBARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000096422937	130079653	/nfs/dbraw/zinc/07/96/53/130079653.db2.gz	CBSAQFRWCBWAEB-ZDLGFXPLSA-N	-1	0	483.868	3.379	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)cc1	ZINC000012420780	524395661	/nfs/dbraw/zinc/39/56/61/524395661.db2.gz	OYXOJEHXLWFDSD-HYBUGGRVSA-N	-1	0	464.478	3.178	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@@H](C)C[C@H]43)C2=O)cc1	ZINC000009123018	524395828	/nfs/dbraw/zinc/39/58/28/524395828.db2.gz	VIQRCMMTSGIJPY-WJDFUICOSA-N	-1	0	464.478	3.034	50	5		JGBARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000013324010	526317132	/nfs/dbraw/zinc/31/71/32/526317132.db2.gz	FKKSBXOUJHIMBA-KBPBESRZSA-N	-1	0	477.926	3.414	50	5		JGBARM
CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCC(=O)[O-])cc1	ZINC000008743537	554646222	/nfs/dbraw/zinc/64/62/22/554646222.db2.gz	XIUWCNDYBUHLID-STZFKDTASA-N	-1	0	469.494	3.382	50	5		JGBARM
O=C([O-])CCCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	ZINC000009067147	554885736	/nfs/dbraw/zinc/88/57/36/554885736.db2.gz	DVEOHIQWWGVLFP-NTCAYCPXSA-N	-1	0	494.298	3.482	50	5		JGBARM
CC(C)c1ccccc1NC(=O)COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000009234628	555008165	/nfs/dbraw/zinc/00/81/65/555008165.db2.gz	NUUCVZNRXQDTHM-FMIVXFBMSA-N	-1	0	450.451	3.283	50	5		JGBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(SC)c1	ZINC000009234643	555008201	/nfs/dbraw/zinc/00/82/01/555008201.db2.gz	CZSAAATVJCUHAV-VQHVLOKHSA-N	-1	0	498.517	3.280	50	5		JGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C	ZINC000009235102	555008790	/nfs/dbraw/zinc/00/87/90/555008790.db2.gz	ZOHKNKVGMNGOIR-CSKARUKUSA-N	-1	0	480.477	3.291	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009448624	555221312	/nfs/dbraw/zinc/22/13/12/555221312.db2.gz	YUIRQXJSEOGENO-LERLXCPZSA-N	-1	0	484.896	3.056	50	5		JGBARM
COc1ccc(CCNC(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1OC	ZINC000009762480	555487801	/nfs/dbraw/zinc/48/78/01/555487801.db2.gz	RRWURKJEYITDLT-QFIPXVFZSA-N	-1	0	499.907	3.210	50	5		JGBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341890	555953929	/nfs/dbraw/zinc/95/39/29/555953929.db2.gz	OHRQYUBNMQUBTK-SFHVURJKSA-N	-1	0	482.522	3.107	50	5		JGBARM
COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000097922813	569745999	/nfs/dbraw/zinc/74/59/99/569745999.db2.gz	KBQXAQBYNBPLQA-UHFFFAOYSA-N	-1	0	484.461	3.031	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)cc1	ZINC000230057773	570044051	/nfs/dbraw/zinc/04/40/51/570044051.db2.gz	OYXOJEHXLWFDSD-GBXCKJPGSA-N	-1	0	464.478	3.178	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)[C@H]2[C@H](C)O1	ZINC000248056592	570073207	/nfs/dbraw/zinc/07/32/07/570073207.db2.gz	YUIRQXJSEOGENO-NOIAWWCKSA-N	-1	0	484.896	3.056	50	5		JGBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)ncn1	ZINC000001772155	194136935	/nfs/dbraw/zinc/13/69/35/194136935.db2.gz	RZHGQZQEHISKSU-UHFFFAOYSA-N	-1	0	463.859	3.100	50	5		JGBARM
O=C([O-])CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br	ZINC000002891835	194167842	/nfs/dbraw/zinc/16/78/42/194167842.db2.gz	GYTJOKVJKDUJQQ-SFQUDFHCSA-N	-1	0	476.283	3.109	50	5		JGBARM
COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)c2)cn1	ZINC000003384540	194310438	/nfs/dbraw/zinc/31/04/38/194310438.db2.gz	DOXMQQKLCIUDQE-UHFFFAOYSA-N	-1	0	458.452	3.060	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1	ZINC000058316826	195377250	/nfs/dbraw/zinc/37/72/50/195377250.db2.gz	ZEKDCQJFVMXFHG-UHFFFAOYSA-N	-1	0	457.464	3.149	50	5		JGBARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[n-]c1=O	ZINC000045900299	521202107	/nfs/dbraw/zinc/20/21/07/521202107.db2.gz	RWQFJZYIXSQKTL-UHFFFAOYSA-N	-1	0	468.495	3.128	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)cc1	ZINC000012420782	524394699	/nfs/dbraw/zinc/39/46/99/524394699.db2.gz	OYXOJEHXLWFDSD-YKSBVNFPSA-N	-1	0	464.478	3.178	50	5		JGBARM
O=C([O-])c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002978913	526396427	/nfs/dbraw/zinc/39/64/27/526396427.db2.gz	UJTIKYNXCZKLHK-UHFFFAOYSA-N	-1	0	455.448	3.127	50	5		JGBARM
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000002084997	554030693	/nfs/dbraw/zinc/03/06/93/554030693.db2.gz	SQGOFCDMRONKAT-UHFFFAOYSA-N	-1	0	463.493	3.205	50	5		JGBARM
CCCc1cc2c(nc(C)n([N-]C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c2=O)s1	ZINC000002780842	554341771	/nfs/dbraw/zinc/34/17/71/554341771.db2.gz	OEEWIADSBUKBKN-UHFFFAOYSA-N	-1	0	470.511	3.466	50	5		JGBARM
CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002865403	554391214	/nfs/dbraw/zinc/39/12/14/554391214.db2.gz	HQAUJQIPFQEOCE-UHFFFAOYSA-N	-1	0	461.521	3.216	50	5		JGBARM
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000002866456	554392040	/nfs/dbraw/zinc/39/20/40/554392040.db2.gz	KWIUNNHEVPDIST-UHFFFAOYSA-N	-1	0	463.493	3.205	50	5		JGBARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1	ZINC000006088722	554503878	/nfs/dbraw/zinc/50/38/78/554503878.db2.gz	ZIMDIKGABCYEHN-UHFFFAOYSA-N	-1	0	477.846	3.127	50	5		JGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	ZINC000020533701	555805191	/nfs/dbraw/zinc/80/51/91/555805191.db2.gz	MYOMWTQNASKHHL-UHFFFAOYSA-N	-1	0	473.532	3.143	50	5		JGBARM
O=C([O-])CCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br	ZINC000017143541	556225013	/nfs/dbraw/zinc/22/50/13/556225013.db2.gz	DDJUGCKZCNKCIB-ATVHPVEESA-N	-1	0	476.283	3.109	50	5		JGBARM
CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O	ZINC000096422934	569740410	/nfs/dbraw/zinc/74/04/10/569740410.db2.gz	LFKUZNVMTSJFCO-ODLFYWEKSA-N	-1	0	451.414	3.281	50	5		JGBARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000036008620	569747948	/nfs/dbraw/zinc/74/79/48/569747948.db2.gz	NHLQWTDDOZDGGM-ZMUHTPIZSA-N	-1	0	499.932	3.066	50	5		JGBARM
C[C@@H](c1ccccc1)N1CCN(C(=O)COc2cc(NCCCC(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000012782793	195125519	/nfs/dbraw/zinc/12/55/19/195125519.db2.gz	PPHALMXDCBDFKP-SFHVURJKSA-N	-1	0	470.526	3.156	50	5		JGBARM
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1C(=O)[O-]	ZINC000016264893	519759117	/nfs/dbraw/zinc/75/91/17/519759117.db2.gz	CYCAVQMTHISSRW-YKUCYRFJSA-N	-1	0	498.447	3.095	50	5		JGBARM
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000016217165	524691216	/nfs/dbraw/zinc/69/12/16/524691216.db2.gz	JGCDEFVTNWISSJ-UHFFFAOYSA-N	-1	0	463.493	3.205	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(CC(=O)[O-])CC(c2ccc(Br)cc2)=NO1	ZINC000015973415	525470260	/nfs/dbraw/zinc/47/02/60/525470260.db2.gz	CQZOVNLGZXSIBB-LJQANCHMSA-N	-1	0	478.255	3.343	50	5		JGBARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000009031821	527648444	/nfs/dbraw/zinc/64/84/44/527648444.db2.gz	DBMVHOIRWKBMNQ-QEQIRTOISA-N	-1	0	459.458	3.178	50	5		JGBARM
Cc1nn(C)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c1[N+](=O)[O-]	ZINC000002777524	554340302	/nfs/dbraw/zinc/34/03/02/554340302.db2.gz	IWOLAVPZDQDAJI-GFCCVEGCSA-N	-1	0	458.544	3.251	50	5		JGBARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000009316318	555091578	/nfs/dbraw/zinc/09/15/78/555091578.db2.gz	NATCCOPVGBHQHE-NJDAHSKKSA-N	-1	0	459.414	3.344	50	5		JGBARM
O=C([O-])CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1	ZINC000022258215	555905588	/nfs/dbraw/zinc/90/55/88/555905588.db2.gz	QNCICDNFGKUUFV-SFQUDFHCSA-N	-1	0	476.283	3.109	50	5		JGBARM
CC(C)[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br)C(=O)[O-]	ZINC000012381999	555970438	/nfs/dbraw/zinc/97/04/38/555970438.db2.gz	ZKMVQZZMTXRLLT-RLGUWMIQSA-N	-1	0	490.310	3.354	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1	ZINC000012552572	556035693	/nfs/dbraw/zinc/03/56/93/556035693.db2.gz	VNECIRAKCGYMCO-UHFFFAOYSA-N	-1	0	459.455	3.473	50	5		JGBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000015885091	556060804	/nfs/dbraw/zinc/06/08/04/556060804.db2.gz	MLBGWRPXELESLA-YTMAHBJJSA-N	-1	0	473.485	3.486	50	5		JGBARM
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000018064697	556282249	/nfs/dbraw/zinc/28/22/49/556282249.db2.gz	WUBVGAMAGHUYLO-WJDWOHSUSA-N	-1	0	492.941	3.428	50	5		JGBARM
COC(=O)C1=CN(c2cccc(C)c2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035877219	563121002	/nfs/dbraw/zinc/12/10/02/563121002.db2.gz	LXDKZDGRULJAKZ-UHFFFAOYSA-N	-1	0	454.435	3.335	50	5		JGBARM
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000035544382	569702408	/nfs/dbraw/zinc/70/24/08/569702408.db2.gz	RPWBZPHMTVYZPA-UHFFFAOYSA-N	-1	0	456.432	3.141	50	5		JGBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000089813107	569719997	/nfs/dbraw/zinc/71/99/97/569719997.db2.gz	RMBLDMCJAMVEIN-UHFFFAOYSA-N	-1	0	498.469	3.207	50	5		JGBARM
CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)[n-]n(C(=O)c3ccc([N+](=O)[O-])cc3)c2=O)c1	ZINC000100742096	569768473	/nfs/dbraw/zinc/76/84/73/569768473.db2.gz	IUAQFCXQOHHISQ-OAQYLSRUSA-N	-1	0	498.451	3.008	50	5		JGBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1	ZINC000102782713	569823899	/nfs/dbraw/zinc/82/38/99/569823899.db2.gz	LCICRFYDKGVTOL-VLARDLDMSA-N	-1	0	478.505	3.019	50	5		JGBARM
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc21	ZINC000040450438	569828601	/nfs/dbraw/zinc/82/86/01/569828601.db2.gz	ZTBRASNKBOYNCO-UHFFFAOYSA-N	-1	0	466.313	3.457	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccc([N+](=O)[O-])cc3)c-2c1=O	ZINC000103920133	569839271	/nfs/dbraw/zinc/83/92/71/569839271.db2.gz	LBLFAHLMBWKSMM-RBBKRZOGSA-N	-1	0	487.428	3.294	50	5		JGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1	ZINC000003612901	194340849	/nfs/dbraw/zinc/34/08/49/194340849.db2.gz	CQPIFRSPXLOIFF-UHFFFAOYSA-N	-1	0	451.457	3.336	50	5		JGBARM
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)cc2)cc1	ZINC000021873548	524066763	/nfs/dbraw/zinc/06/67/63/524066763.db2.gz	GULIHNSLIRHPBF-UHFFFAOYSA-N	-1	0	471.491	3.343	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1	ZINC000048274571	525469496	/nfs/dbraw/zinc/46/94/96/525469496.db2.gz	GZJADEJKULBYDW-TZIWHRDSSA-N	-1	0	475.523	3.188	50	5		JGBARM
Cc1nn(Cc2ccc(C(=O)[N-]n3c(C)nc4sc(C)c(C)c4c3=O)o2)c(C)c1[N+](=O)[O-]	ZINC000002779298	554341473	/nfs/dbraw/zinc/34/14/73/554341473.db2.gz	XEPFNARWNCYIRQ-UHFFFAOYSA-N	-1	0	456.484	3.130	50	5		JGBARM
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1nncs1	ZINC000002868273	554393546	/nfs/dbraw/zinc/39/35/46/554393546.db2.gz	JXGMTJGNEZCVNQ-UHFFFAOYSA-N	-1	0	483.915	3.226	50	5		JGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1	ZINC000009234726	555008552	/nfs/dbraw/zinc/00/85/52/555008552.db2.gz	CXZIQLNSBYCSBE-XBXARRHUSA-N	-1	0	474.267	3.492	50	5		JGBARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009356444	555121611	/nfs/dbraw/zinc/12/16/11/555121611.db2.gz	HMUHHFZYPAUGAU-UHFFFAOYSA-N	-1	0	485.518	3.385	50	5		JGBARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009562268	555362438	/nfs/dbraw/zinc/36/24/38/555362438.db2.gz	SKDXWVVAQVBJRG-UHFFFAOYSA-N	-1	0	461.477	3.253	50	5		JGBARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000013324013	555376048	/nfs/dbraw/zinc/37/60/48/555376048.db2.gz	FKKSBXOUJHIMBA-ZIAGYGMSSA-N	-1	0	477.926	3.414	50	5		JGBARM
CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000015391747	555903576	/nfs/dbraw/zinc/90/35/76/555903576.db2.gz	ZKUBYGIPFSEXMR-KRWDZBQOSA-N	-1	0	459.528	3.332	50	5		JGBARM
CC(C)[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br)C(=O)[O-]	ZINC000008721652	569598654	/nfs/dbraw/zinc/59/86/54/569598654.db2.gz	KYCOIWSOTDZOJE-UWKDKTGGSA-N	-1	0	490.310	3.354	50	5		JGBARM
O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000065562957	569675968	/nfs/dbraw/zinc/67/59/68/569675968.db2.gz	NXXNZMRAJYNTIN-UHFFFAOYSA-N	-1	0	478.490	3.111	50	5		JGBARM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O	ZINC000101058430	569780638	/nfs/dbraw/zinc/78/06/38/569780638.db2.gz	MFVMACPMKKHFOL-BDTNDASRSA-N	-1	0	461.430	3.360	50	5		JGBARM
O=C([O-])c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000001304221	194082889	/nfs/dbraw/zinc/08/28/89/194082889.db2.gz	WKVDLDOIUFPAJT-UHFFFAOYSA-N	-1	0	458.224	3.376	50	5		JGBARM
Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)c2ccc(C(=O)[O-])cc2)cc1	ZINC000003111421	194227040	/nfs/dbraw/zinc/22/70/40/194227040.db2.gz	ZEYJCHMZSQGHGF-FQEVSTJZSA-N	-1	0	486.502	3.237	50	5		JGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000004647268	194393038	/nfs/dbraw/zinc/39/30/38/194393038.db2.gz	OVSCYRWQZNESIX-HNNXBMFYSA-N	-1	0	471.495	3.208	50	5		JGBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000006023875	194410433	/nfs/dbraw/zinc/41/04/33/194410433.db2.gz	KDWMDDCYEJWDLE-IZZDOVSWSA-N	-1	0	453.480	3.454	50	5		JGBARM
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1C(=O)[O-]	ZINC000016264897	519759390	/nfs/dbraw/zinc/75/93/90/519759390.db2.gz	CYCAVQMTHISSRW-FPAXGFGJSA-N	-1	0	498.447	3.095	50	5		JGBARM
COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000016293408	522899136	/nfs/dbraw/zinc/89/91/36/522899136.db2.gz	LZPYJRBZJXUTNS-UHFFFAOYSA-N	-1	0	472.425	3.161	50	5		JGBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@H]43)C2=O)cc1	ZINC000009123019	524394970	/nfs/dbraw/zinc/39/49/70/524394970.db2.gz	VIQRCMMTSGIJPY-OSZRXVRWSA-N	-1	0	464.478	3.034	50	5		JGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)cc1[N+](=O)[O-]	ZINC000012520849	525597786	/nfs/dbraw/zinc/59/77/86/525597786.db2.gz	PHSGTFXKLGUYHD-UHFFFAOYSA-N	-1	0	496.545	3.372	50	5		JGBARM
O=C([O-])[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000089469890	527644136	/nfs/dbraw/zinc/64/41/36/527644136.db2.gz	XFVSVNWYIWINEC-OAHLLOKOSA-N	-1	0	478.374	3.467	50	5		JGBARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000009316322	555091666	/nfs/dbraw/zinc/09/16/66/555091666.db2.gz	NATCCOPVGBHQHE-QHAWAJNXSA-N	-1	0	459.414	3.344	50	5		JGBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009433929	555204420	/nfs/dbraw/zinc/20/44/20/555204420.db2.gz	PKJIPIZXNZKINJ-GCJKJVERSA-N	-1	0	454.870	3.433	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009450049	555222729	/nfs/dbraw/zinc/22/27/29/555222729.db2.gz	AALPIVGVOKXZLY-LERLXCPZSA-N	-1	0	484.896	3.056	50	5		JGBARM
CC(C)[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000012381998	555970481	/nfs/dbraw/zinc/97/04/81/555970481.db2.gz	VAEQQORQZGZDRV-ZKTNYTPDSA-N	-1	0	490.310	3.354	50	5		JGBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(C(=O)[O-])c2)c1C	ZINC000058148032	569602202	/nfs/dbraw/zinc/60/22/02/569602202.db2.gz	JHKOKTIMVQXAJD-UHFFFAOYSA-N	-1	0	451.526	3.264	50	5		JGBARM
CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O	ZINC000096422939	569740450	/nfs/dbraw/zinc/74/04/50/569740450.db2.gz	ZUPYBPHTSLBQMW-ODLFYWEKSA-N	-1	0	451.414	3.281	50	5		JGBARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000105446734	569853029	/nfs/dbraw/zinc/85/30/29/569853029.db2.gz	BZTYMHMXZSWART-WMZOPIPTSA-N	-1	0	471.267	3.276	50	5		JGBARM
CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)C1	ZINC000105735688	569853409	/nfs/dbraw/zinc/85/34/09/569853409.db2.gz	IBNCVRCFYJWJCK-RHSMWYFYSA-N	-1	0	459.528	3.332	50	5		JGBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000247366110	570067937	/nfs/dbraw/zinc/06/79/37/570067937.db2.gz	FZCCZLXWUCTEQF-WMZHIEFXSA-N	-1	0	450.520	3.334	50	5		JGBARM
CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000016115131	520862554	/nfs/dbraw/zinc/86/25/54/520862554.db2.gz	GHSVNHIPMYVKDY-AUQXIXNCSA-N	-1	0	455.467	3.134	50	5		JGBARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[n-]c1=O	ZINC000045900302	521201348	/nfs/dbraw/zinc/20/13/48/521201348.db2.gz	VUTPCTLFRCZHFT-UHFFFAOYSA-N	-1	0	482.522	3.436	50	5		JGBARM
COc1ccc(NC(=O)CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000012521328	524488748	/nfs/dbraw/zinc/48/87/48/524488748.db2.gz	BTNZHEQZUOAJJD-UHFFFAOYSA-N	-1	0	498.517	3.115	50	5		JGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1	ZINC000048274561	525469669	/nfs/dbraw/zinc/46/96/69/525469669.db2.gz	GZJADEJKULBYDW-FPOVZHCZSA-N	-1	0	475.523	3.188	50	5		JGBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CC[C@H](C)C3	ZINC000002780164	554341376	/nfs/dbraw/zinc/34/13/76/554341376.db2.gz	OKNBBKMDZPNZHW-NSHDSACASA-N	-1	0	468.495	3.021	50	5		JGBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CC[C@@H](C)C3	ZINC000002780165	554341400	/nfs/dbraw/zinc/34/14/00/554341400.db2.gz	OKNBBKMDZPNZHW-LLVKDONJSA-N	-1	0	468.495	3.021	50	5		JGBARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1	ZINC000008400369	554575506	/nfs/dbraw/zinc/57/55/06/554575506.db2.gz	SWXNEAJKKNKIBG-UHFFFAOYSA-N	-1	0	497.449	3.394	50	5		JGBARM
O=C(NCc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009584806	555393979	/nfs/dbraw/zinc/39/39/79/555393979.db2.gz	GAGOVMHHSPAWHR-UHFFFAOYSA-N	-1	0	455.448	3.054	50	5		JGBARM
CCOc1ccc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)nn1	ZINC000009715030	555446164	/nfs/dbraw/zinc/44/61/64/555446164.db2.gz	IYXYYKICFALYNS-UHFFFAOYSA-N	-1	0	459.440	3.468	50	5		JGBARM
COc1ccc(CCNC(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1OC	ZINC000009762478	555487723	/nfs/dbraw/zinc/48/77/23/555487723.db2.gz	RRWURKJEYITDLT-JOCHJYFZSA-N	-1	0	499.907	3.210	50	5		JGBARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1	ZINC000012521008	555991939	/nfs/dbraw/zinc/99/19/39/555991939.db2.gz	SHXRVFWVGZGTCM-UHFFFAOYSA-N	-1	0	453.523	3.302	50	5		JGBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000015885089	556060827	/nfs/dbraw/zinc/06/08/27/556060827.db2.gz	MLBGWRPXELESLA-AEUZFIIDSA-N	-1	0	473.485	3.486	50	5		JGBARM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccccc2)CC1	ZINC000017358073	556259703	/nfs/dbraw/zinc/25/97/03/556259703.db2.gz	XLENXAGFUNGFHR-UHFFFAOYSA-N	-1	0	480.546	3.354	50	5		JGBARM
COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000027533966	556293524	/nfs/dbraw/zinc/29/35/24/556293524.db2.gz	AHTMFWJELNZPKA-AMCKHAKVSA-N	-1	0	489.484	3.186	50	5	biogenic	JGBARM
CC(C)c1ccccc1NC(=O)COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000030840463	556375822	/nfs/dbraw/zinc/37/58/22/556375822.db2.gz	NUUCVZNRXQDTHM-XFXZXTDPSA-N	-1	0	450.451	3.283	50	5		JGBARM
C[C@H]1CN(C(C)(C)CNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1	ZINC000024528758	524553723	/nfs/dbraw/zinc/55/37/23/524553723.db2.gz	GUNHTDYJIXNGCI-IRXDYDNUSA-N	-1	0	490.582	3.013	50	5		JGBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2nonc21	ZINC000022589842	527341172	/nfs/dbraw/zinc/34/11/72/527341172.db2.gz	DWCZGRFWEDLSEB-UHFFFAOYSA-N	-1	0	463.413	3.040	50	5		JGBARM
O=C([O-])CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1	ZINC000002117285	527586030	/nfs/dbraw/zinc/58/60/30/527586030.db2.gz	VETHMWLCYRQQAP-BOPFTXTBSA-N	-1	0	476.283	3.109	50	5		JGBARM
CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])c(C(=O)OCC)c1C	ZINC000002896521	554409776	/nfs/dbraw/zinc/40/97/76/554409776.db2.gz	VIPJGCUUDYNRTJ-UHFFFAOYSA-N	-1	0	450.425	3.269	50	5		JGBARM
Cc1cc(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)ccc1[N+](=O)[O-]	ZINC000008424557	554579730	/nfs/dbraw/zinc/57/97/30/554579730.db2.gz	BWEOZHIJIVKXFD-UHFFFAOYSA-N	-1	0	466.427	3.235	50	5		JGBARM
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000009083286	554888296	/nfs/dbraw/zinc/88/82/96/554888296.db2.gz	HCHWRKAOKSVMJB-UHFFFAOYSA-N	-1	0	485.474	3.102	50	5		JGBARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c1	ZINC000009224171	554995628	/nfs/dbraw/zinc/99/56/28/554995628.db2.gz	XVVCRGFFLUWOOY-OAHLLOKOSA-N	-1	0	467.569	3.433	50	5		JGBARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1	ZINC000013324015	555376050	/nfs/dbraw/zinc/37/60/50/555376050.db2.gz	FKKSBXOUJHIMBA-KGLIPLIRSA-N	-1	0	477.926	3.414	50	5		JGBARM
CCN(CC)S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000009613393	555448998	/nfs/dbraw/zinc/44/89/98/555448998.db2.gz	WNKMWRJISTWEFG-UHFFFAOYSA-N	-1	0	461.949	3.388	50	5		JGBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccccn1	ZINC000013945544	555657498	/nfs/dbraw/zinc/65/74/98/555657498.db2.gz	XFQULFDAJMYJFS-AATRIKPKSA-N	-1	0	475.255	3.299	50	5		JGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1	ZINC000020533700	555805270	/nfs/dbraw/zinc/80/52/70/555805270.db2.gz	HLHPPVWZWFRSSA-UHFFFAOYSA-N	-1	0	473.532	3.143	50	5		JGBARM
CC(C)[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br)C(=O)[O-]	ZINC000012382000	555970494	/nfs/dbraw/zinc/97/04/94/555970494.db2.gz	ZKMVQZZMTXRLLT-ZKTNYTPDSA-N	-1	0	490.310	3.354	50	5		JGBARM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccsc2)CC1	ZINC000025055290	556175773	/nfs/dbraw/zinc/17/57/73/556175773.db2.gz	YHPMGPZIOPIQFX-UHFFFAOYSA-N	-1	0	486.575	3.415	50	5		JGBARM
COc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccc(Br)cc4c3nc2=O)cc1	ZINC000071924139	569699324	/nfs/dbraw/zinc/69/93/24/569699324.db2.gz	AREGICFOWIWNSN-UHFFFAOYSA-N	-1	0	455.268	3.093	50	5		JGBARM
O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	ZINC000102743384	569819459	/nfs/dbraw/zinc/81/94/59/569819459.db2.gz	CKVUZFWTUJPATH-NJYVYQBISA-N	-1	0	459.414	3.344	50	5		JGBARM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1	ZINC000103587816	569836419	/nfs/dbraw/zinc/83/64/19/569836419.db2.gz	IXBAPRHXVWSYRR-TZIWHRDSSA-N	-1	0	457.402	3.286	50	5		JGBARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000218002549	569882375	/nfs/dbraw/zinc/88/23/75/569882375.db2.gz	PBGARJUYIJOFFN-NSHDSACASA-N	-1	0	453.359	3.088	50	5		JGBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000230046899	570044036	/nfs/dbraw/zinc/04/40/36/570044036.db2.gz	FZCCZLXWUCTEQF-CVDCTZTESA-N	-1	0	450.520	3.334	50	5		JGBARM
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2[C@H](C)O1	ZINC000247989873	570072305	/nfs/dbraw/zinc/07/23/05/570072305.db2.gz	AALPIVGVOKXZLY-NOIAWWCKSA-N	-1	0	484.896	3.056	50	5		JGBARM