smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)c2cc([N+](=O)[O-])ccc21	ZINC000020558028	523402359	/nfs/dbraw/zinc/40/23/59/523402359.db2.gz	STFRXRZFXCNJAO-UHFFFAOYSA-N	-1	0	417.443	3.140	50	5		HGBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccccc1)C2=O	ZINC000009433934	535495687	/nfs/dbraw/zinc/49/56/87/535495687.db2.gz	WAKKQIBHJFCIGR-AVRDEDQJSA-N	-1	0	422.441	3.025	50	5		HGBARM
COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000013961486	559014383	/nfs/dbraw/zinc/01/43/83/559014383.db2.gz	BHWUYDNBPCLKOD-CRAIPNDOSA-N	-1	0	404.444	3.279	50	5		HGBARM
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)[nH]1	ZINC000005444957	560587607	/nfs/dbraw/zinc/58/76/07/560587607.db2.gz	BVTJRTILGIIIHP-UHFFFAOYSA-N	-1	0	408.823	3.162	50	5		HGBARM
O=C([O-])c1ccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	ZINC000002474435	568773359	/nfs/dbraw/zinc/77/33/59/568773359.db2.gz	CSQLANMKJWSNMO-UHFFFAOYSA-N	-1	0	416.345	3.325	50	5		HGBARM
CC(C)(c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002730805	568804311	/nfs/dbraw/zinc/80/43/11/568804311.db2.gz	UVTMYVRALHDMOJ-UHFFFAOYSA-N	-1	0	410.463	3.415	50	5		HGBARM
O=[N+]([O-])c1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Cl	ZINC000002731205	568804392	/nfs/dbraw/zinc/80/43/92/568804392.db2.gz	UEJULDJTUCFNRG-UHFFFAOYSA-N	-1	0	416.854	3.333	50	5		HGBARM
CCc1ccc(OCn2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn2)cc1	ZINC000002804886	568810919	/nfs/dbraw/zinc/81/09/19/568810919.db2.gz	NSBREDUOZMYQBX-UHFFFAOYSA-N	-1	0	402.432	3.191	50	5		HGBARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000002832991	568812409	/nfs/dbraw/zinc/81/24/09/568812409.db2.gz	FVENUUMMAXEEOU-QPJJXVBHSA-N	-1	0	405.819	3.473	50	5		HGBARM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F	ZINC000034910322	568832597	/nfs/dbraw/zinc/83/25/97/568832597.db2.gz	VOUUTNIAPXTDBA-OVCLIPMQSA-N	-1	0	417.374	3.115	50	5		HGBARM
O=C([O-])c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1	ZINC000003146423	568858232	/nfs/dbraw/zinc/85/82/32/568858232.db2.gz	QBZQMQFNHMJFRY-UHFFFAOYSA-N	-1	0	416.345	3.325	50	5		HGBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Sc1nccn1C	ZINC000058342900	568912866	/nfs/dbraw/zinc/91/28/66/568912866.db2.gz	UZZZXELOUIURIA-UHFFFAOYSA-N	-1	0	420.472	3.289	50	5		HGBARM
Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccccc1OCC(=O)[O-]	ZINC000524734705	569213681	/nfs/dbraw/zinc/21/36/81/569213681.db2.gz	FLSTUZIWQDAUCE-UHFFFAOYSA-N	-1	0	405.366	3.409	50	5		HGBARM
Cc1cc(S(=O)(=O)[N-]c2ncccc2C(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC000253428483	569368649	/nfs/dbraw/zinc/36/86/49/569368649.db2.gz	LCQFCKVQCHSZHS-UHFFFAOYSA-N	-1	0	415.402	3.469	50	5		HGBARM
CCOc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000019878573	569432958	/nfs/dbraw/zinc/43/29/58/569432958.db2.gz	SFHZBMUHVBHBQH-INIZCTEOSA-N	-1	0	416.411	3.116	50	5		HGBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)c1C	ZINC000032810990	525556778	/nfs/dbraw/zinc/55/67/78/525556778.db2.gz	CYPDTTCYGWARNZ-UHFFFAOYSA-N	-1	0	407.839	3.247	50	5		HGBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2I)cc1	ZINC000004347467	558424355	/nfs/dbraw/zinc/42/43/55/558424355.db2.gz	XMMOHVZZJJESSD-UHFFFAOYSA-N	-1	0	404.185	3.000	50	5		HGBARM
O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000005099567	559244772	/nfs/dbraw/zinc/24/47/72/559244772.db2.gz	QKMOALVOYPMBAK-UHFFFAOYSA-N	-1	0	401.444	3.085	50	5		HGBARM
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000238950247	559271660	/nfs/dbraw/zinc/27/16/60/559271660.db2.gz	XHVFBECDJUGMAD-SHTZXODSSA-N	-1	0	409.438	3.332	50	5	biogenic	HGBARM
O=c1nc2n(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000005613813	560630915	/nfs/dbraw/zinc/63/09/15/560630915.db2.gz	XAAMULAZIAWWMX-UHFFFAOYSA-N	-1	0	402.288	3.106	50	5		HGBARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101495240	560796214	/nfs/dbraw/zinc/79/62/14/560796214.db2.gz	OZPOVNWPJRKRLR-MRXNPFEDSA-N	-1	0	424.438	3.045	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nn(Cc3ccccc3F)cc2Cl)cc1	ZINC000002804567	568811623	/nfs/dbraw/zinc/81/16/23/568811623.db2.gz	OXJCIHZSFFWRKH-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001230655	568877249	/nfs/dbraw/zinc/87/72/49/568877249.db2.gz	CANWUMPXHLHSFZ-UHFFFAOYSA-N	-1	0	418.212	3.309	50	5		HGBARM
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@H](C(=O)[O-])c1ccccc1	ZINC000004074119	568882555	/nfs/dbraw/zinc/88/25/55/568882555.db2.gz	UGRBVRAEKIZNLZ-NRFANRHFSA-N	-1	0	403.390	3.267	50	5	biogenic	HGBARM
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002122388	569285680	/nfs/dbraw/zinc/28/56/80/569285680.db2.gz	LSQXUGCOFZFINB-FQEVSTJZSA-N	-1	0	417.417	3.137	50	5	biogenic	HGBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558030	523402667	/nfs/dbraw/zinc/40/26/67/523402667.db2.gz	FODLOQGELQRIEZ-UHFFFAOYSA-N	-1	0	417.443	3.140	50	5		HGBARM
CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000225525796	568726341	/nfs/dbraw/zinc/72/63/41/568726341.db2.gz	XETYDQYOQQAYAC-UHFFFAOYSA-N	-1	0	410.835	3.268	50	5		HGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccn(Cc2c(F)cccc2Cl)n1	ZINC000000999885	568760019	/nfs/dbraw/zinc/76/00/19/568760019.db2.gz	DEIPPLBMZVJLAC-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000002827863	568812534	/nfs/dbraw/zinc/81/25/34/568812534.db2.gz	ASYDURBGMMFOPS-UHFFFAOYSA-N	-1	0	423.834	3.472	50	5		HGBARM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1[O-]	ZINC000015231071	568820996	/nfs/dbraw/zinc/82/09/96/568820996.db2.gz	HBDHOVUAUIPXMD-VGOFMYFVSA-N	-1	0	403.778	3.450	50	5		HGBARM
O=C([O-])C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000003325317	568881131	/nfs/dbraw/zinc/88/11/31/568881131.db2.gz	QFRJJEXXPAFRLK-ZDUSSCGKSA-N	-1	0	419.242	3.396	50	5		HGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)no1	ZINC000017091016	569273866	/nfs/dbraw/zinc/27/38/66/569273866.db2.gz	HCUMXGVEIFXJNO-UHFFFAOYSA-N	-1	0	417.403	3.336	50	5		HGBARM
Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12	ZINC000010166812	571295763	/nfs/dbraw/zinc/29/57/63/571295763.db2.gz	NSFQLTIEXGAYEQ-UHFFFAOYSA-N	-1	0	403.398	3.491	50	5		HGBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)[N-]C(=O)N(c1ccccc1)C2=O	ZINC000009433933	132339917	/nfs/dbraw/zinc/33/99/17/132339917.db2.gz	WAKKQIBHJFCIGR-GCJKJVERSA-N	-1	0	422.441	3.025	50	5		HGBARM
O=C([O-])c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000013544870	558842344	/nfs/dbraw/zinc/84/23/44/558842344.db2.gz	JQARFDKVQLLOOI-UHFFFAOYSA-N	-1	0	419.393	3.475	50	5		HGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F	ZINC000013943456	558984813	/nfs/dbraw/zinc/98/48/13/558984813.db2.gz	LKIJFFOOBPMXBK-SOFGYWHQSA-N	-1	0	413.361	3.281	50	5		HGBARM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1	ZINC000096838627	558993210	/nfs/dbraw/zinc/99/32/10/558993210.db2.gz	LDKOASKFSPZBMN-ZSOIEALJSA-N	-1	0	418.203	3.117	50	5		HGBARM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1	ZINC000004270379	568956608	/nfs/dbraw/zinc/95/66/08/568956608.db2.gz	SLHZBNBPEKCGKJ-UHFFFAOYSA-N	-1	0	400.416	3.251	50	5		HGBARM
Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[n-]c2=O)cc1	ZINC000004317415	568962611	/nfs/dbraw/zinc/96/26/11/568962611.db2.gz	LURCDKGBBCAKOI-UHFFFAOYSA-N	-1	0	411.443	3.115	50	5		HGBARM
COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1[N+](=O)[O-]	ZINC000036612364	569208908	/nfs/dbraw/zinc/20/89/08/569208908.db2.gz	KZSTUVREULLFRV-RDTXWAMCSA-N	-1	0	404.444	3.279	50	5		HGBARM
COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000002236001	569318624	/nfs/dbraw/zinc/31/86/24/569318624.db2.gz	MEYKUBMIUVUWOH-UHFFFAOYSA-N	-1	0	409.807	3.082	50	5		HGBARM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c2cccnc12	ZINC000002455808	569409751	/nfs/dbraw/zinc/40/97/51/569409751.db2.gz	KLTLPBXVCLHYLS-UHFFFAOYSA-N	-1	0	403.416	3.351	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc4cccnc43)n2)cc1	ZINC000069437017	571227946	/nfs/dbraw/zinc/22/79/46/571227946.db2.gz	HXNNMOMXQVIKOT-UHFFFAOYSA-N	-1	0	409.427	3.189	50	5		HGBARM
CCc1cccc([N-]S(=O)(=O)c2cn(CC(=O)OC)c3ccc([N+](=O)[O-])cc23)c1	ZINC000020558038	521773573	/nfs/dbraw/zinc/77/35/73/521773573.db2.gz	UCSQJYFZIMQWFL-UHFFFAOYSA-N	-1	0	417.443	3.086	50	5		HGBARM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000013546680	558842421	/nfs/dbraw/zinc/84/24/21/558842421.db2.gz	MLRDPANLJCFTAT-OVCLIPMQSA-N	-1	0	401.356	3.445	50	5		HGBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013571996	558844585	/nfs/dbraw/zinc/84/45/85/558844585.db2.gz	PLLMPPSXABWPOY-UHFFFAOYSA-N	-1	0	421.800	3.404	50	5		HGBARM
CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1	ZINC000004652178	558868754	/nfs/dbraw/zinc/86/87/54/558868754.db2.gz	YEOUKCJUEOOJRD-INIZCTEOSA-N	-1	0	413.308	3.240	50	5		HGBARM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccccn1	ZINC000000792982	568478376	/nfs/dbraw/zinc/47/83/76/568478376.db2.gz	DQTKIEVZKQDUMS-UHFFFAOYSA-N	-1	0	412.427	3.351	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(I)c2)cc1	ZINC000000869526	568713685	/nfs/dbraw/zinc/71/36/85/568713685.db2.gz	JYMXGHKUVUZOMC-UHFFFAOYSA-N	-1	0	404.185	3.000	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nn(Cc3ccc(F)cc3)cc2Cl)cc1	ZINC000002804438	568811639	/nfs/dbraw/zinc/81/16/39/568811639.db2.gz	AJOZOLLMXROSKD-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000002841590	568812627	/nfs/dbraw/zinc/81/26/27/568812627.db2.gz	HPGKWYQUCSRBQS-UHFFFAOYSA-N	-1	0	411.823	3.098	50	5		HGBARM
O=C([O-])c1cccc(CNC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)c1	ZINC000002879029	568813966	/nfs/dbraw/zinc/81/39/66/568813966.db2.gz	OLUYFMCOGRNHRO-UHFFFAOYSA-N	-1	0	412.427	3.092	50	5		HGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000001232263	568877302	/nfs/dbraw/zinc/87/73/02/568877302.db2.gz	ZTAPIPKJZHGVJV-UHFFFAOYSA-N	-1	0	404.185	3.000	50	5		HGBARM
Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000084028337	568933280	/nfs/dbraw/zinc/93/32/80/568933280.db2.gz	WAXZTOWYRRGUSE-UHFFFAOYSA-N	-1	0	415.221	3.165	50	5		HGBARM
O=C([N-]c1nnc(-c2ccc3c(c2)OCCO3)o1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000004107189	568943354	/nfs/dbraw/zinc/94/33/54/568943354.db2.gz	NRCQPCRSALAZGK-UHFFFAOYSA-N	-1	0	402.750	3.322	50	5		HGBARM
COc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012809745	568979871	/nfs/dbraw/zinc/97/98/71/568979871.db2.gz	VFADJKJJYFMMEL-UHFFFAOYSA-N	-1	0	405.201	3.306	50	5		HGBARM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCCC1	ZINC000008181510	568980078	/nfs/dbraw/zinc/98/00/78/568980078.db2.gz	SRKIFEHNZCEJKX-UHFFFAOYSA-N	-1	0	403.460	3.412	50	5		HGBARM
O=C([O-])C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000006184298	569029009	/nfs/dbraw/zinc/02/90/09/569029009.db2.gz	WHCYEWNWDCDDAI-ZDUSSCGKSA-N	-1	0	419.242	3.396	50	5		HGBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006194585	569031374	/nfs/dbraw/zinc/03/13/74/569031374.db2.gz	QSCQWWPDKWZJQK-AWEZNQCLSA-N	-1	0	419.242	3.396	50	5		HGBARM
O=c1[nH]c2ccccc2nc1-c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000170615670	569247385	/nfs/dbraw/zinc/24/73/85/569247385.db2.gz	NTZLFDXCFBXGSA-UHFFFAOYSA-N	-1	0	422.422	3.299	50	5		HGBARM
C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000013579147	569256320	/nfs/dbraw/zinc/25/63/20/569256320.db2.gz	SCXOSMOYGZKRTH-ZRDIBKRKSA-N	-1	0	415.427	3.295	50	5		HGBARM
CCOC(=O)c1ccc(-c2ccc(C=Cc3[n-]n4cnnc4c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000009234754	569391966	/nfs/dbraw/zinc/39/19/66/569391966.db2.gz	ORHNSDGMSIWRRJ-VQHVLOKHSA-N	-1	0	421.369	3.345	50	5		HGBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558006	523402612	/nfs/dbraw/zinc/40/26/12/523402612.db2.gz	SOKKIGNXIHISNQ-UHFFFAOYSA-N	-1	0	423.834	3.177	50	5		HGBARM
COc1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c(OC)cc1Cl	ZINC000013895954	558891241	/nfs/dbraw/zinc/89/12/41/558891241.db2.gz	OVHKEVPZSOLSIF-HWKANZROSA-N	-1	0	419.777	3.485	50	5		HGBARM
O=C(C1CC1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000005252368	560551669	/nfs/dbraw/zinc/55/16/69/560551669.db2.gz	TZDJJHJFHZXXEI-UHFFFAOYSA-N	-1	0	401.444	3.085	50	5		HGBARM
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3Cl)ccc21	ZINC000095460474	568620216	/nfs/dbraw/zinc/62/02/16/568620216.db2.gz	PDDZKJHYFJGZTO-UHFFFAOYSA-N	-1	0	409.851	3.266	50	5		HGBARM
COC(=O)c1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n(-c2ccccc2)n1	ZINC000095464837	568622875	/nfs/dbraw/zinc/62/28/75/568622875.db2.gz	XIHYTASKQUDAAB-UHFFFAOYSA-N	-1	0	416.777	3.178	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nn(Cc3cccc(F)c3)cc2Cl)cc1	ZINC000002804566	568811513	/nfs/dbraw/zinc/81/15/13/568811513.db2.gz	GERKRDUCFVNKQW-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000002953681	568828851	/nfs/dbraw/zinc/82/88/51/568828851.db2.gz	MNJBSFUGHFASAM-SXGWCWSVSA-N	-1	0	414.395	3.295	50	5		HGBARM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2CC2)c1	ZINC000029792208	568832418	/nfs/dbraw/zinc/83/24/18/568832418.db2.gz	JDISBOROQJWOOR-UHFFFAOYSA-N	-1	0	403.460	3.152	50	5		HGBARM
O=C([O-])c1ccccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000003146365	568858231	/nfs/dbraw/zinc/85/82/31/568858231.db2.gz	BEWPGFNXMSWZTM-UHFFFAOYSA-N	-1	0	416.345	3.325	50	5		HGBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(C)c(Br)c3)[n+]2[O-])cc1	ZINC000016311832	569031303	/nfs/dbraw/zinc/03/13/03/569031303.db2.gz	WFHHTDIXLPIURL-UHFFFAOYSA-N	-1	0	420.223	3.237	50	5		HGBARM
COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc([N+](=O)[O-])c1[O-]	ZINC000019843000	569430943	/nfs/dbraw/zinc/43/09/43/569430943.db2.gz	JAAYBASAFUIYJC-INIZCTEOSA-N	-1	0	413.415	3.386	50	5		HGBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(OCCn3cccn3)c2)c1C	ZINC000040135044	571188084	/nfs/dbraw/zinc/18/80/84/571188084.db2.gz	YXEUSOMCRVBQLT-UHFFFAOYSA-N	-1	0	416.459	3.288	50	5		HGBARM
COc1cc2nc3c(Cl)cc(C(=O)c4ccccc4[O-])cn3c(=O)c2cc1OC	ZINC000009114659	571223815	/nfs/dbraw/zinc/22/38/15/571223815.db2.gz	ZZMVUIZANQJRHH-UHFFFAOYSA-N	-1	0	410.813	3.455	50	5		HGBARM
CCOCN1C(C)=C(C(=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C	ZINC000004529472	558652164	/nfs/dbraw/zinc/65/21/64/558652164.db2.gz	QGMIHHWHFXKWNT-GOSISDBHSA-N	-1	0	404.419	3.184	50	5		HGBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)c1	ZINC000015746684	558751678	/nfs/dbraw/zinc/75/16/78/558751678.db2.gz	WYPHQICWPKGEEZ-GZTJUZNOSA-N	-1	0	421.365	3.296	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1	ZINC000002814704	568812244	/nfs/dbraw/zinc/81/22/44/568812244.db2.gz	LXTFQATVFYADAB-UHFFFAOYSA-N	-1	0	410.864	3.491	50	5		HGBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(Br)cc3)o2)[nH]1	ZINC000030840499	568895227	/nfs/dbraw/zinc/89/52/27/568895227.db2.gz	FTMHUVKYFDNPNO-ALCCZGGFSA-N	-1	0	404.176	3.164	50	5		HGBARM
Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000035352892	569033458	/nfs/dbraw/zinc/03/34/58/569033458.db2.gz	XNLADXUZAHSHCZ-GOSISDBHSA-N	-1	0	412.471	3.349	50	5		HGBARM
COc1cc2nc(C(Cl)=Cc3ccc([O-])c([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC	ZINC000007502909	569243415	/nfs/dbraw/zinc/24/34/15/569243415.db2.gz	MIPIXOXXMBHIRF-WZUFQYTHSA-N	-1	0	403.778	3.291	50	5		HGBARM
CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000004619006	558865079	/nfs/dbraw/zinc/86/50/79/558865079.db2.gz	COALAJMVVAMTDI-INIZCTEOSA-N	-1	0	402.403	3.338	50	5		HGBARM
CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000004619004	558865143	/nfs/dbraw/zinc/86/51/43/558865143.db2.gz	COALAJMVVAMTDI-MRXNPFEDSA-N	-1	0	402.403	3.338	50	5		HGBARM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1	ZINC000012536298	568845777	/nfs/dbraw/zinc/84/57/77/568845777.db2.gz	OAFMCILBXXXMOA-UHFFFAOYSA-N	-1	0	404.322	3.201	50	5		HGBARM
O=C([O-])c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	ZINC000001234970	568877409	/nfs/dbraw/zinc/87/74/09/568877409.db2.gz	RSKKIIOBPZIHBA-UHFFFAOYSA-N	-1	0	416.345	3.325	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cccc3ccccc23)c([N+](=O)[O-])c1	ZINC000059368883	568952154	/nfs/dbraw/zinc/95/21/54/568952154.db2.gz	IHISBWZSICXYLI-FMIVXFBMSA-N	-1	0	412.423	3.275	50	5		HGBARM
CCOc1ccc(-c2nnc([N-]S(=O)(=O)c3c(C)ccc([N+](=O)[O-])c3C)o2)cc1	ZINC000170609123	569244917	/nfs/dbraw/zinc/24/49/17/569244917.db2.gz	KKMRHGDUXIKWBD-UHFFFAOYSA-N	-1	0	418.431	3.461	50	5		HGBARM
O=C([O-])c1ccccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000003660878	132267943	/nfs/dbraw/zinc/26/79/43/132267943.db2.gz	PYMXNBDQSJMVAR-UHFFFAOYSA-N	-1	0	407.294	3.155	50	5		HGBARM
O=C([O-])c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1	ZINC000015133478	132461350	/nfs/dbraw/zinc/46/13/50/132461350.db2.gz	ULKHICZTGYOSCK-UHFFFAOYSA-N	-1	0	407.294	3.155	50	5		HGBARM
COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000004704892	558906805	/nfs/dbraw/zinc/90/68/05/558906805.db2.gz	IDJRPRFSGMGHPZ-MLPAPPSSSA-N	-1	0	403.778	3.055	50	5		HGBARM
O=C1NC(c2ccccc2)=N[C@]1([N-]c1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F	ZINC000019939295	568585888	/nfs/dbraw/zinc/58/58/88/568585888.db2.gz	JONNQFPDCDLQBH-MRXNPFEDSA-N	-1	0	421.360	3.452	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cc1	ZINC000002804745	568811542	/nfs/dbraw/zinc/81/15/42/568811542.db2.gz	MIEFEGQSRDWWKC-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1	ZINC000002956488	568828888	/nfs/dbraw/zinc/82/88/88/568828888.db2.gz	YQWGMVMGLFRKID-SFQUDFHCSA-N	-1	0	421.365	3.296	50	5		HGBARM
O=C([O-])c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000003887622	568836780	/nfs/dbraw/zinc/83/67/80/568836780.db2.gz	KBYAVTWMQOVXKP-UHFFFAOYSA-N	-1	0	408.457	3.229	50	5		HGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(C)cc1	ZINC000030840484	568895223	/nfs/dbraw/zinc/89/52/23/568895223.db2.gz	OJTCGXRVFGFCTD-CLFYSBASSA-N	-1	0	409.398	3.038	50	5		HGBARM
Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000058283309	568908416	/nfs/dbraw/zinc/90/84/16/568908416.db2.gz	GMLUPDVMULUDQV-UHFFFAOYSA-N	-1	0	422.850	3.145	50	5		HGBARM
CCOC(=O)CCCOc1cc([N+](=O)[O-])c([C@H](C)[N-]C(=O)C(F)(F)F)cc1OC	ZINC000043214663	569012940	/nfs/dbraw/zinc/01/29/40/569012940.db2.gz	VJJPGRANBSTQRO-JTQLQIEISA-N	-1	0	422.356	3.065	50	5		HGBARM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1	ZINC000253426942	569368322	/nfs/dbraw/zinc/36/83/22/569368322.db2.gz	JIKWPKSUZJTBAL-UHFFFAOYSA-N	-1	0	413.814	3.315	50	5		HGBARM
CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004686950	558895833	/nfs/dbraw/zinc/89/58/33/558895833.db2.gz	FMLRHVAIIJWZST-MRXNPFEDSA-N	-1	0	405.794	3.152	50	5		HGBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O	ZINC000013941663	558984758	/nfs/dbraw/zinc/98/47/58/558984758.db2.gz	UYTYGFDERRRGIE-UHFFFAOYSA-N	-1	0	417.377	3.349	50	5		HGBARM
COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(F)cc1F	ZINC000408515674	559213094	/nfs/dbraw/zinc/21/30/94/559213094.db2.gz	WCTDAYOSZKIDAG-UHFFFAOYSA-N	-1	0	424.740	3.253	50	5		HGBARM
Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1	ZINC000012879002	569014065	/nfs/dbraw/zinc/01/40/65/569014065.db2.gz	XSXGDVWJOLPXLC-UHFFFAOYSA-N	-1	0	417.468	3.484	50	5		HGBARM
Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000035352894	569033475	/nfs/dbraw/zinc/03/34/75/569033475.db2.gz	XNLADXUZAHSHCZ-SFHVURJKSA-N	-1	0	412.471	3.349	50	5		HGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)no1	ZINC000001772151	569052332	/nfs/dbraw/zinc/05/23/32/569052332.db2.gz	KPYXDXOILLVWKC-UHFFFAOYSA-N	-1	0	408.417	3.006	50	5		HGBARM
COC(=O)c1ccc2c(c1)nc1c(Cl)cc(C(=O)c3ccccc3[O-])cn1c2=O	ZINC000009114661	571223804	/nfs/dbraw/zinc/22/38/04/571223804.db2.gz	DSCAHUNQJWBPIW-UHFFFAOYSA-N	-1	0	408.797	3.224	50	5		HGBARM
Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)c12	ZINC000010166813	571295679	/nfs/dbraw/zinc/29/56/79/571295679.db2.gz	ZNEWCQPZIUHSOM-UHFFFAOYSA-N	-1	0	403.398	3.491	50	5		HGBARM
O=C([O-])c1cccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)c1	ZINC000002054221	132248630	/nfs/dbraw/zinc/24/86/30/132248630.db2.gz	NIPZTHWSGKAQER-UHFFFAOYSA-N	-1	0	407.294	3.155	50	5		HGBARM
COc1ccc(O)c(C(=O)c2cc(Cl)c3nc4cc(C(=O)[O-])ccc4c(=O)n3c2)c1	ZINC000014170924	558627424	/nfs/dbraw/zinc/62/74/24/558627424.db2.gz	MMJCFCRSVNFVEV-UHFFFAOYSA-N	-1	0	424.796	3.145	50	5		HGBARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101495238	560796343	/nfs/dbraw/zinc/79/63/43/560796343.db2.gz	OZPOVNWPJRKRLR-INIZCTEOSA-N	-1	0	424.438	3.045	50	5		HGBARM
CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1[O-]	ZINC000012637778	568884017	/nfs/dbraw/zinc/88/40/17/568884017.db2.gz	VFKMQLGMCQZDNA-ZDUSSCGKSA-N	-1	0	423.878	3.444	50	5		HGBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C	ZINC000001745208	569051399	/nfs/dbraw/zinc/05/13/99/569051399.db2.gz	RFHMHTFTQIEESF-UHFFFAOYSA-N	-1	0	416.415	3.253	50	5		HGBARM
O=C([O-])c1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000002368751	569385786	/nfs/dbraw/zinc/38/57/86/569385786.db2.gz	SLHLMTLAOYLVEH-UHFFFAOYSA-N	-1	0	419.393	3.475	50	5		HGBARM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1[N+](=O)[O-]	ZINC000002080138	571305767	/nfs/dbraw/zinc/30/57/67/571305767.db2.gz	ADZVMYNHHILLHA-UHFFFAOYSA-N	-1	0	418.456	3.413	50	5		HGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc([N+](=O)[O-])s1	ZINC000004417351	558525654	/nfs/dbraw/zinc/52/56/54/558525654.db2.gz	PTDRYBSRDNEZRV-UHFFFAOYSA-N	-1	0	410.458	3.166	50	5		HGBARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000005150689	559253639	/nfs/dbraw/zinc/25/36/39/559253639.db2.gz	GCXLVHLWTOHWTM-UHFFFAOYSA-N	-1	0	403.338	3.373	50	5		HGBARM
COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Br	ZINC000000850484	568711401	/nfs/dbraw/zinc/71/14/01/568711401.db2.gz	GPXBVUSFLANNCZ-UHFFFAOYSA-N	-1	0	417.237	3.175	50	5		HGBARM
O=[N+]([O-])c1ccn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1	ZINC000002731541	568804876	/nfs/dbraw/zinc/80/48/76/568804876.db2.gz	LQYKQGZZAOMTPV-UHFFFAOYSA-N	-1	0	416.854	3.333	50	5		HGBARM
Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002805092	568811039	/nfs/dbraw/zinc/81/10/39/568811039.db2.gz	YZBLRWMVKGYURQ-UHFFFAOYSA-N	-1	0	404.423	3.396	50	5		HGBARM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1)c1ccco1	ZINC000012557126	568856137	/nfs/dbraw/zinc/85/61/37/568856137.db2.gz	GKJYLPMOPOCJIW-UHFFFAOYSA-N	-1	0	405.363	3.380	50	5		HGBARM
O=[N+]([O-])c1ccc(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2nonc21	ZINC000006088994	568999008	/nfs/dbraw/zinc/99/90/08/568999008.db2.gz	VMQNGIVIZWWANY-UHFFFAOYSA-N	-1	0	418.416	3.132	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1Br	ZINC000170617368	569248056	/nfs/dbraw/zinc/24/80/56/569248056.db2.gz	CMIHFLMRZDFFDP-UHFFFAOYSA-N	-1	0	423.248	3.344	50	5		HGBARM
Cc1ncsc1CN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000241719856	569311294	/nfs/dbraw/zinc/31/12/94/569311294.db2.gz	QQFPMNIIIWLKCG-UHFFFAOYSA-N	-1	0	407.839	3.177	50	5		HGBARM
O=C(Nc1nccs1)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000002368660	569385855	/nfs/dbraw/zinc/38/58/55/569385855.db2.gz	VLXNECIZVQHAJO-UHFFFAOYSA-N	-1	0	404.429	3.104	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nccn2C)cc1[N+](=O)[O-]	ZINC000069419666	571228028	/nfs/dbraw/zinc/22/80/28/571228028.db2.gz	SSHSXLWAHFWHBH-UHFFFAOYSA-N	-1	0	420.472	3.289	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCCO4)cs2)c1	ZINC000009711929	571308288	/nfs/dbraw/zinc/30/82/88/571308288.db2.gz	LAKDDBWTSZWBAP-UHFFFAOYSA-N	-1	0	419.440	3.290	50	5		HGBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(Br)c(C)c3)[n+]2[O-])cc1	ZINC000020156376	568591050	/nfs/dbraw/zinc/59/10/50/568591050.db2.gz	GBJCTCUWQDPXNW-UHFFFAOYSA-N	-1	0	420.223	3.237	50	5		HGBARM
COc1cccc(OC)c1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000095953080	568668108	/nfs/dbraw/zinc/66/81/08/568668108.db2.gz	PHRUOFLKGHGLPI-UHFFFAOYSA-N	-1	0	402.403	3.001	50	5		HGBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1[N+](=O)[O-]	ZINC000002731534	568804897	/nfs/dbraw/zinc/80/48/97/568804897.db2.gz	YJYUVSCGFUYGBP-UHFFFAOYSA-N	-1	0	410.463	3.182	50	5		HGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2	ZINC000012631465	569402257	/nfs/dbraw/zinc/40/22/57/569402257.db2.gz	CVKNBQVWMOEBPT-UHFFFAOYSA-N	-1	0	413.459	3.381	50	5		HGBARM
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccccn1	ZINC000004354059	558442982	/nfs/dbraw/zinc/44/29/82/558442982.db2.gz	OMPMYIJNHGPYGB-UHFFFAOYSA-N	-1	0	412.427	3.351	50	5		HGBARM
O=C([O-])c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002900245	568815134	/nfs/dbraw/zinc/81/51/34/568815134.db2.gz	JXJDYAPLOWXINC-UHFFFAOYSA-N	-1	0	410.136	3.216	50	5		HGBARM
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1n[n-]c(=S)s1	ZINC000002976359	568831604	/nfs/dbraw/zinc/83/16/04/568831604.db2.gz	BIYQXIUQUCDWAZ-UHFFFAOYSA-N	-1	0	403.410	3.180	50	5		HGBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1	ZINC000003878980	568928230	/nfs/dbraw/zinc/92/82/30/568928230.db2.gz	VSTLQLCNUJGJCI-UHFFFAOYSA-N	-1	0	413.234	3.406	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)c1	ZINC000006373293	569045296	/nfs/dbraw/zinc/04/52/96/569045296.db2.gz	UCJAJFLALSZLRT-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1[N+](=O)[O-]	ZINC000036612363	569208921	/nfs/dbraw/zinc/20/89/21/569208921.db2.gz	KZSTUVREULLFRV-KSSFIOAISA-N	-1	0	404.444	3.279	50	5		HGBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000009958326	571291819	/nfs/dbraw/zinc/29/18/19/571291819.db2.gz	QJCLHVPLLULAMA-GFCCVEGCSA-N	-1	0	419.242	3.396	50	5		HGBARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000004594607	558832387	/nfs/dbraw/zinc/83/23/87/558832387.db2.gz	CZPUJZMCCONFNV-OAHLLOKOSA-N	-1	0	402.403	3.256	50	5		HGBARM
CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2	ZINC000012560471	568858282	/nfs/dbraw/zinc/85/82/82/568858282.db2.gz	WXJBZPDZAKAHAK-NSHDSACASA-N	-1	0	408.432	3.126	50	5		HGBARM
C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000016642625	569061468	/nfs/dbraw/zinc/06/14/68/569061468.db2.gz	TXLLJIIVAKUFMR-CQSZACIVSA-N	-1	0	403.460	3.268	50	5		HGBARM
COc1cc(OC)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2[O-])c1	ZINC000002369191	569385816	/nfs/dbraw/zinc/38/58/16/569385816.db2.gz	HAZDEMXCHJOGCL-UHFFFAOYSA-N	-1	0	411.823	3.098	50	5		HGBARM
CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008920050	571154884	/nfs/dbraw/zinc/15/48/84/571154884.db2.gz	YQIOPCAXGAXWEX-WMLDXEAASA-N	-1	0	418.427	3.001	50	5		HGBARM
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1[O-]	ZINC000009120253	571225193	/nfs/dbraw/zinc/22/51/93/571225193.db2.gz	VFKMQLGMCQZDNA-CYBMUJFWSA-N	-1	0	423.878	3.444	50	5		HGBARM
O=C(NC1CCCCC1)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004551089	558685491	/nfs/dbraw/zinc/68/54/91/558685491.db2.gz	CDWOQYBFMWFVAI-SFHVURJKSA-N	-1	0	417.849	3.283	50	5		HGBARM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-]	ZINC000028258998	568783778	/nfs/dbraw/zinc/78/37/78/568783778.db2.gz	DXPMBHJCIJJMTN-UHFFFAOYSA-N	-1	0	404.231	3.110	50	5		HGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)no1	ZINC000002821457	568812149	/nfs/dbraw/zinc/81/21/49/568812149.db2.gz	OXTGIOMNORBLHV-UHFFFAOYSA-N	-1	0	416.415	3.253	50	5		HGBARM
COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000003001262	568836905	/nfs/dbraw/zinc/83/69/05/568836905.db2.gz	XCEUBSIIWZHEFD-UHFFFAOYSA-N	-1	0	409.807	3.082	50	5		HGBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(Br)cc3F)[n+]2[O-])cc1	ZINC000016226438	569029977	/nfs/dbraw/zinc/02/99/77/569029977.db2.gz	AHAAQSREHYOEHI-UHFFFAOYSA-N	-1	0	424.186	3.068	50	5		HGBARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000016205992	569029806	/nfs/dbraw/zinc/02/98/06/569029806.db2.gz	JVTDTZZWMGQRCS-UHFFFAOYSA-N	-1	0	402.357	3.232	50	5		HGBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000009882913	569251432	/nfs/dbraw/zinc/25/14/32/569251432.db2.gz	QIUWUCCIXSFRCL-ZDUSSCGKSA-N	-1	0	419.242	3.396	50	5		HGBARM
O=C([O-])CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc2nccnc2c1	ZINC000012981295	569405702	/nfs/dbraw/zinc/40/57/02/569405702.db2.gz	SGRHNKZHCYPESJ-LJQANCHMSA-N	-1	0	419.397	3.081	50	5		HGBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1	ZINC000009356092	571251170	/nfs/dbraw/zinc/25/11/70/571251170.db2.gz	NJQZMORPSFWDKB-UHFFFAOYSA-N	-1	0	403.460	3.412	50	5		HGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000002895901	571307444	/nfs/dbraw/zinc/30/74/44/571307444.db2.gz	GUTKGMSGEGCJLQ-UHFFFAOYSA-N	-1	0	404.429	3.104	50	5		HGBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc21	ZINC000020558008	523402467	/nfs/dbraw/zinc/40/24/67/523402467.db2.gz	FORFVAMLRJSMIX-UHFFFAOYSA-N	-1	0	423.834	3.177	50	5		HGBARM
O=C(Nc1ccc(Br)cc1)C([O-])=C1C(=O)Nc2ccc([N+](=O)[O-])cc21	ZINC000101078103	560771268	/nfs/dbraw/zinc/77/12/68/560771268.db2.gz	ILNAAXMEQLKPJM-BUHFOSPRSA-N	-1	0	404.176	3.217	50	5		HGBARM
O=C([O-])C1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000095970497	568671598	/nfs/dbraw/zinc/67/15/98/568671598.db2.gz	SLTOLHVWFOJMQW-UHFFFAOYSA-N	-1	0	403.357	3.175	50	5		HGBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730782	568804691	/nfs/dbraw/zinc/80/46/91/568804691.db2.gz	OZSWZTUXLJDBRS-UHFFFAOYSA-N	-1	0	424.490	3.491	50	5		HGBARM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000003000549	568836921	/nfs/dbraw/zinc/83/69/21/568836921.db2.gz	REYSQXVSOSEPTE-UHFFFAOYSA-N	-1	0	423.834	3.472	50	5		HGBARM
O=C1O[C@@]2(c3ccccc31)c1ccc(O)cc1Oc1cc([O-])c([N+](=O)[O-])c([N+](=O)[O-])c12	ZINC000230141801	568852353	/nfs/dbraw/zinc/85/23/53/568852353.db2.gz	NVJAFBAQNWODCX-FQEVSTJZSA-N	-1	0	422.305	3.482	50	5		HGBARM
Cc1cc(Br)c([O-])c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	ZINC000058382232	568915624	/nfs/dbraw/zinc/91/56/24/568915624.db2.gz	SHXKTDDIAWZMRV-UHFFFAOYSA-N	-1	0	420.263	3.334	50	5		HGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(C)cc1	ZINC000015009212	569291100	/nfs/dbraw/zinc/29/11/00/569291100.db2.gz	OJTCGXRVFGFCTD-VQHVLOKHSA-N	-1	0	409.398	3.450	50	5		HGBARM
CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008920057	571155176	/nfs/dbraw/zinc/15/51/76/571155176.db2.gz	YQIOPCAXGAXWEX-YOEHRIQHSA-N	-1	0	418.427	3.001	50	5		HGBARM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)nn1	ZINC000005204290	560538441	/nfs/dbraw/zinc/53/84/41/560538441.db2.gz	MILZSXMHPPJQQC-UHFFFAOYSA-N	-1	0	400.416	3.251	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1	ZINC000000837246	568501848	/nfs/dbraw/zinc/50/18/48/568501848.db2.gz	PBZMAUSOHKHKAD-UHFFFAOYSA-N	-1	0	404.185	3.000	50	5		HGBARM
O=c1[nH]c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000096012467	568684722	/nfs/dbraw/zinc/68/47/22/568684722.db2.gz	VNFIFAGCQTVDBR-UHFFFAOYSA-N	-1	0	422.422	3.299	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1Br	ZINC000001111690	568770556	/nfs/dbraw/zinc/77/05/56/568770556.db2.gz	DFFJAMHOGILRLD-UHFFFAOYSA-N	-1	0	417.237	3.175	50	5		HGBARM
COc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])cc1OC	ZINC000002877345	568813957	/nfs/dbraw/zinc/81/39/57/568813957.db2.gz	ZUJAPMWVLWIVIA-UHFFFAOYSA-N	-1	0	406.416	3.182	50	5		HGBARM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2cc(C)[nH]n2)cc1	ZINC000079103110	569427494	/nfs/dbraw/zinc/42/74/94/569427494.db2.gz	PDTOEYGEHVWAAP-UHFFFAOYSA-N	-1	0	404.404	3.228	50	5		HGBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCCC1	ZINC000009356447	571251329	/nfs/dbraw/zinc/25/13/29/571251329.db2.gz	LEMDBEOJMZILHQ-UHFFFAOYSA-N	-1	0	403.460	3.412	50	5		HGBARM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cccc1[N+](=O)[O-]	ZINC000003991739	571305589	/nfs/dbraw/zinc/30/55/89/571305589.db2.gz	QSTNIUWYTMLALR-UHFFFAOYSA-N	-1	0	418.456	3.413	50	5		HGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000002790493	571307426	/nfs/dbraw/zinc/30/74/26/571307426.db2.gz	ZAPNXIJOKUQUSZ-UHFFFAOYSA-N	-1	0	404.429	3.104	50	5		HGBARM
CCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)CC1	ZINC000009197195	535748327	/nfs/dbraw/zinc/74/83/27/535748327.db2.gz	VIDZIOOEZJYFOF-UHFFFAOYSA-N	-1	0	424.910	3.191	50	5		HGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1	ZINC000004501663	558615234	/nfs/dbraw/zinc/61/52/34/558615234.db2.gz	HWDGEJCNMJZYLI-SOFGYWHQSA-N	-1	0	409.398	3.450	50	5		HGBARM
COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000013961489	559013274	/nfs/dbraw/zinc/01/32/74/559013274.db2.gz	BHWUYDNBPCLKOD-YJBOKZPZSA-N	-1	0	404.444	3.279	50	5		HGBARM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCCC1	ZINC000095447975	568612405	/nfs/dbraw/zinc/61/24/05/568612405.db2.gz	PPPCRCUISJMVQA-UHFFFAOYSA-N	-1	0	413.459	3.247	50	5		HGBARM
O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001049639	568764607	/nfs/dbraw/zinc/76/46/07/568764607.db2.gz	MJBOGHYLHKXHTF-UHFFFAOYSA-N	-1	0	403.460	3.458	50	5		HGBARM
O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001107045	568768596	/nfs/dbraw/zinc/76/85/96/568768596.db2.gz	PEPCXSIDVXVYCI-UHFFFAOYSA-N	-1	0	403.460	3.458	50	5		HGBARM
O=C([O-])c1cccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	ZINC000003146362	568858036	/nfs/dbraw/zinc/85/80/36/568858036.db2.gz	RNLDNQYMLFJDKB-UHFFFAOYSA-N	-1	0	416.345	3.325	50	5		HGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1	ZINC000003295873	568874942	/nfs/dbraw/zinc/87/49/42/568874942.db2.gz	PSIVUIKEORRZHK-UHFFFAOYSA-N	-1	0	413.459	3.381	50	5		HGBARM
O=C1N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000016115918	569029051	/nfs/dbraw/zinc/02/90/51/569029051.db2.gz	KZKOEKRPGBIJBX-NTUHNPAUSA-N	-1	0	418.203	3.156	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)c1	ZINC000006373292	569045319	/nfs/dbraw/zinc/04/53/19/569045319.db2.gz	FYIOYUJLPNKESB-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000016642626	569061457	/nfs/dbraw/zinc/06/14/57/569061457.db2.gz	TXLLJIIVAKUFMR-AWEZNQCLSA-N	-1	0	403.460	3.268	50	5		HGBARM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000009217974	571237694	/nfs/dbraw/zinc/23/76/94/571237694.db2.gz	RQESNWUFSNMXFW-UHFFFAOYSA-N	-1	0	417.365	3.051	50	5		HGBARM
O=C([O-])COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000009232918	571239773	/nfs/dbraw/zinc/23/97/73/571239773.db2.gz	NDZGLNBCPLATHY-CXUHLZMHSA-N	-1	0	414.395	3.295	50	5		HGBARM
CC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004686947	558895839	/nfs/dbraw/zinc/89/58/39/558895839.db2.gz	FMLRHVAIIJWZST-INIZCTEOSA-N	-1	0	405.794	3.152	50	5		HGBARM
CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000328596069	559171295	/nfs/dbraw/zinc/17/12/95/559171295.db2.gz	QLHWXCYUZJUAKN-UHFFFAOYSA-N	-1	0	418.258	3.404	50	5		HGBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-]	ZINC000004980373	559220350	/nfs/dbraw/zinc/22/03/50/559220350.db2.gz	BKWKUPPJHHTEFQ-UHFFFAOYSA-N	-1	0	415.427	3.227	50	5		HGBARM
CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)s2)on1	ZINC000020994798	568656387	/nfs/dbraw/zinc/65/63/87/568656387.db2.gz	KGGOJBPUQYTNCL-UHFFFAOYSA-N	-1	0	423.428	3.289	50	5		HGBARM
O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001111130	568770551	/nfs/dbraw/zinc/77/05/51/568770551.db2.gz	LMGNLWNDKUXXEW-UHFFFAOYSA-N	-1	0	411.439	3.326	50	5		HGBARM
Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000006373261	569045315	/nfs/dbraw/zinc/04/53/15/569045315.db2.gz	NSCXENSANYQONJ-UHFFFAOYSA-N	-1	0	404.423	3.396	50	5		HGBARM
COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc([N+](=O)[O-])c1[O-]	ZINC000019842998	569430862	/nfs/dbraw/zinc/43/08/62/569430862.db2.gz	JAAYBASAFUIYJC-MRXNPFEDSA-N	-1	0	413.415	3.386	50	5		HGBARM
CCOC(=O)c1cccc(-c2ccc(C=Cc3[n-]n4cnnc4c(=O)c3[N+](=O)[O-])o2)c1	ZINC000009235168	571239973	/nfs/dbraw/zinc/23/99/73/571239973.db2.gz	OLANRHMBAWOWCE-SOFGYWHQSA-N	-1	0	421.369	3.345	50	5		HGBARM
O=C(COc1ccc(Cl)cc1)NCc1n[n-]c(=S)n1-c1ccc([N+](=O)[O-])cc1	ZINC000009368566	571252443	/nfs/dbraw/zinc/25/24/43/571252443.db2.gz	FULCHYVWIGOWMS-UHFFFAOYSA-N	-1	0	419.850	3.187	50	5		HGBARM
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1[N+](=O)[O-]	ZINC000002827537	571308731	/nfs/dbraw/zinc/30/87/31/571308731.db2.gz	VGPOFLHUTYLPRV-UHFFFAOYSA-N	-1	0	418.456	3.413	50	5		HGBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008971891	132334394	/nfs/dbraw/zinc/33/43/94/132334394.db2.gz	FPTLILCQASKCBJ-DYESRHJHSA-N	-1	0	406.398	3.229	50	5		HGBARM
Cc1ncc(CO)c2cc(-c3nnc([N-]c4ccccc4[N+](=O)[O-])s3)c(=O)oc12	ZINC000020617323	568638378	/nfs/dbraw/zinc/63/83/78/568638378.db2.gz	OCOAJNZGVAINLK-UHFFFAOYSA-N	-1	0	411.399	3.159	50	5		HGBARM
O=C([O-])CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003026322	568841428	/nfs/dbraw/zinc/84/14/28/568841428.db2.gz	KDDFINCRIBRAPW-UHFFFAOYSA-N	-1	0	412.851	3.304	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000059290798	568949352	/nfs/dbraw/zinc/94/93/52/568949352.db2.gz	MXISFCFQZGPRHP-UHFFFAOYSA-N	-1	0	412.423	3.389	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)c1	ZINC000006270373	569036248	/nfs/dbraw/zinc/03/62/48/569036248.db2.gz	MSQVFCUROBQDDD-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]c2nc3c(cc(F)cc3F)s2)cc1[N+](=O)[O-]	ZINC000006623201	569075123	/nfs/dbraw/zinc/07/51/23/569075123.db2.gz	QVHAGAKMKJZEQC-UHFFFAOYSA-N	-1	0	401.372	3.292	50	5		HGBARM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1[N+](=O)[O-]	ZINC000036612362	569208899	/nfs/dbraw/zinc/20/88/99/569208899.db2.gz	KZSTUVREULLFRV-KBXCAEBGSA-N	-1	0	404.444	3.279	50	5		HGBARM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000037342263	569261224	/nfs/dbraw/zinc/26/12/24/569261224.db2.gz	RTCIRHFUXSPWHJ-OVCLIPMQSA-N	-1	0	401.356	3.445	50	5		HGBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC2)cc1	ZINC000033018888	558834703	/nfs/dbraw/zinc/83/47/03/558834703.db2.gz	QEQBNCJDNZUTHU-UHFFFAOYSA-N	-1	0	403.460	3.330	50	5		HGBARM
COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC	ZINC000004686105	558895407	/nfs/dbraw/zinc/89/54/07/558895407.db2.gz	XTQXFFORNJPKAK-ZDUSSCGKSA-N	-1	0	408.794	3.211	50	5		HGBARM
COc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC	ZINC000004686106	558895410	/nfs/dbraw/zinc/89/54/10/558895410.db2.gz	XTQXFFORNJPKAK-CYBMUJFWSA-N	-1	0	408.794	3.211	50	5		HGBARM
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004831853	559162944	/nfs/dbraw/zinc/16/29/44/559162944.db2.gz	BIPYPKWIQGCNBG-UHFFFAOYSA-N	-1	0	413.459	3.233	50	5		HGBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cc(C)c(Cl)cc3OC)[n+]2[O-])cc1	ZINC000004922745	559208583	/nfs/dbraw/zinc/20/85/83/559208583.db2.gz	ONGJBJBDCMVBHF-UHFFFAOYSA-N	-1	0	405.798	3.137	50	5		HGBARM
C[C@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005077857	559240806	/nfs/dbraw/zinc/24/08/06/559240806.db2.gz	VNSIQQLBKWFHKO-AWEZNQCLSA-N	-1	0	403.460	3.410	50	5		HGBARM
O=c1[nH]c2ccccc2nc1-c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008710329	560637662	/nfs/dbraw/zinc/63/76/62/560637662.db2.gz	WUTAWVVGBFWBAX-UHFFFAOYSA-N	-1	0	422.422	3.299	50	5		HGBARM
COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015010596	560779645	/nfs/dbraw/zinc/77/96/45/560779645.db2.gz	WXILQFZFOUIXOT-SXGWCWSVSA-N	-1	0	414.395	3.228	50	5		HGBARM
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000012464472	568838040	/nfs/dbraw/zinc/83/80/40/568838040.db2.gz	IETLVDGEDXUAKM-CXUHLZMHSA-N	-1	0	414.395	3.295	50	5		HGBARM
O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003335743	568882775	/nfs/dbraw/zinc/88/27/75/568882775.db2.gz	WOVQLSZUWCNXOA-UHFFFAOYSA-N	-1	0	414.389	3.046	50	5		HGBARM
O=C([O-])c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	ZINC000088613816	569028729	/nfs/dbraw/zinc/02/87/29/569028729.db2.gz	ZCQMJNOKCWBKMN-UHFFFAOYSA-N	-1	0	405.838	3.147	50	5		HGBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O	ZINC000035877061	569063873	/nfs/dbraw/zinc/06/38/73/569063873.db2.gz	LWFHKGBDMPFXCS-UHFFFAOYSA-N	-1	0	417.377	3.349	50	5		HGBARM
Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2n1	ZINC000009572169	571269066	/nfs/dbraw/zinc/26/90/66/571269066.db2.gz	SZWRMBUXFOWMQL-UHFFFAOYSA-N	-1	0	409.427	3.414	50	5		HGBARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000004594608	558832396	/nfs/dbraw/zinc/83/23/96/558832396.db2.gz	CZPUJZMCCONFNV-HNNXBMFYSA-N	-1	0	402.403	3.256	50	5		HGBARM
O=C([O-])COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000013942224	558984988	/nfs/dbraw/zinc/98/49/88/558984988.db2.gz	MNJBSFUGHFASAM-CXUHLZMHSA-N	-1	0	414.395	3.295	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cccc3ccccc23)c([N+](=O)[O-])c1	ZINC000098008827	559017725	/nfs/dbraw/zinc/01/77/25/559017725.db2.gz	IHISBWZSICXYLI-XFXZXTDPSA-N	-1	0	412.423	3.275	50	5		HGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(I)c1	ZINC000001217996	568824944	/nfs/dbraw/zinc/82/49/44/568824944.db2.gz	AAAHEVGZGBNKFN-UHFFFAOYSA-N	-1	0	404.185	3.000	50	5		HGBARM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1[N+](=O)[O-]	ZINC000002999134	568836318	/nfs/dbraw/zinc/83/63/18/568836318.db2.gz	NZKYMXJDONIOIY-UHFFFAOYSA-N	-1	0	403.416	3.127	50	5		HGBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000003313109	568878655	/nfs/dbraw/zinc/87/86/55/568878655.db2.gz	GWWDOVAUHJTJNP-UHFFFAOYSA-N	-1	0	417.399	3.250	50	5		HGBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000003325316	568881172	/nfs/dbraw/zinc/88/11/72/568881172.db2.gz	QFRJJEXXPAFRLK-CYBMUJFWSA-N	-1	0	419.242	3.396	50	5		HGBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1	ZINC000009234663	569391978	/nfs/dbraw/zinc/39/19/78/569391978.db2.gz	GPWYDNNIGMJTMB-VQHVLOKHSA-N	-1	0	423.425	3.428	50	5		HGBARM
Cc1cc([N-]S(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)no1	ZINC000012275568	569399959	/nfs/dbraw/zinc/39/99/59/569399959.db2.gz	PCUQUOHMUABWDD-UHFFFAOYSA-N	-1	0	419.375	3.344	50	5		HGBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1	ZINC000002646688	568795374	/nfs/dbraw/zinc/79/53/74/568795374.db2.gz	RUJIEOKWPQAKCC-UHFFFAOYSA-N	-1	0	419.459	3.030	50	5		HGBARM
COc1cc(C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000016410323	569041804	/nfs/dbraw/zinc/04/18/04/569041804.db2.gz	IHKRCEXQDPLHGD-UHFFFAOYSA-N	-1	0	421.494	3.017	50	5		HGBARM
Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(=O)c12	ZINC000007424079	569237724	/nfs/dbraw/zinc/23/77/24/569237724.db2.gz	XEYGOZICRWEKHN-UHFFFAOYSA-N	-1	0	407.361	3.322	50	5		HGBARM
CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008920063	571155275	/nfs/dbraw/zinc/15/52/75/571155275.db2.gz	YQIOPCAXGAXWEX-RHSMWYFYSA-N	-1	0	418.427	3.001	50	5		HGBARM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1[N+](=O)[O-]	ZINC000001771524	571308167	/nfs/dbraw/zinc/30/81/67/571308167.db2.gz	LGHQGQPZYBTEES-UHFFFAOYSA-N	-1	0	418.456	3.413	50	5		HGBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccccc1)C2=O	ZINC000009433935	132339896	/nfs/dbraw/zinc/33/98/96/132339896.db2.gz	WAKKQIBHJFCIGR-XMSQKQJNSA-N	-1	0	422.441	3.025	50	5		HGBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1	ZINC000001136817	558775298	/nfs/dbraw/zinc/77/52/98/558775298.db2.gz	VQUKWCWEGPQDDF-UHFFFAOYSA-N	-1	0	418.452	3.228	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(I)c2)c1	ZINC000004957256	559215306	/nfs/dbraw/zinc/21/53/06/559215306.db2.gz	MDCFGPZGXVGMCU-UHFFFAOYSA-N	-1	0	404.185	3.000	50	5		HGBARM
O=C1c2ccc([N+](=O)[O-])c3c2c(ccc3[N+](=O)[O-])C(=O)N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000100931027	560763263	/nfs/dbraw/zinc/76/32/63/560763263.db2.gz	JWMJINWWLGZBEH-UHFFFAOYSA-N	-1	0	424.281	3.071	50	5		HGBARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101495354	560796395	/nfs/dbraw/zinc/79/63/95/560796395.db2.gz	QKDVXUUZJUYWJM-INIZCTEOSA-N	-1	0	424.438	3.045	50	5		HGBARM
CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1	ZINC000024773536	568462284	/nfs/dbraw/zinc/46/22/84/568462284.db2.gz	QMAYFUNVHUSASE-UHFFFAOYSA-N	-1	0	409.445	3.413	50	5		HGBARM
COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2[O-])cc1OC	ZINC000002835643	568812709	/nfs/dbraw/zinc/81/27/09/568812709.db2.gz	PWGWMHSKASZULZ-UHFFFAOYSA-N	-1	0	411.823	3.098	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]NC(=S)Nc2cc(Cl)cc(Cl)c2)c1	ZINC000015150298	568818363	/nfs/dbraw/zinc/81/83/63/568818363.db2.gz	YMHPCBUSPIKVGM-UHFFFAOYSA-N	-1	0	421.287	3.082	50	5		HGBARM
CC1CCN(C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000012464042	568837835	/nfs/dbraw/zinc/83/78/35/568837835.db2.gz	OXOAPYYCILWFSN-SFHVURJKSA-N	-1	0	417.849	3.092	50	5		HGBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCCc1ccccc1	ZINC000004173506	568922098	/nfs/dbraw/zinc/92/20/98/568922098.db2.gz	IQCOYHDUIDQJPA-VQHVLOKHSA-N	-1	0	409.398	3.184	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cnn(COc3cccc(Cl)c3)c2)c1	ZINC000006270376	569036233	/nfs/dbraw/zinc/03/62/33/569036233.db2.gz	DHVWUYFDCBKWTJ-UHFFFAOYSA-N	-1	0	408.823	3.282	50	5		HGBARM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000037342264	569261373	/nfs/dbraw/zinc/26/13/73/569261373.db2.gz	JHPYOKPTYDOYLW-OVCLIPMQSA-N	-1	0	401.356	3.445	50	5		HGBARM
COCCNc1cc(C(=O)c2cc(Cl)ccc2[O-])cn2c(=O)c3ccccc3nc12	ZINC000009578691	571270142	/nfs/dbraw/zinc/27/01/42/571270142.db2.gz	ACKSIVJIZDCJRS-UHFFFAOYSA-N	-1	0	423.856	3.496	50	5		HGBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000002074711	571307415	/nfs/dbraw/zinc/30/74/15/571307415.db2.gz	ALDJFDHGODKXSF-UHFFFAOYSA-N	-1	0	404.429	3.104	50	5		HGBARM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000013961488	559013032	/nfs/dbraw/zinc/01/30/32/559013032.db2.gz	BHWUYDNBPCLKOD-MAUKXSAKSA-N	-1	0	404.444	3.279	50	5		HGBARM
COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)nn1	ZINC000005204248	560538526	/nfs/dbraw/zinc/53/85/26/560538526.db2.gz	PEZIAHZIWLZHQU-UHFFFAOYSA-N	-1	0	400.416	3.170	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)cc1	ZINC000002767743	568807628	/nfs/dbraw/zinc/80/76/28/568807628.db2.gz	CVIVCFPMZODEFL-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000003001275	568836919	/nfs/dbraw/zinc/83/69/19/568836919.db2.gz	NEUWDQHNFGKWAD-UHFFFAOYSA-N	-1	0	403.416	3.127	50	5		HGBARM
CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2	ZINC000012560469	568858390	/nfs/dbraw/zinc/85/83/90/568858390.db2.gz	WXJBZPDZAKAHAK-LLVKDONJSA-N	-1	0	408.432	3.126	50	5		HGBARM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)nn1	ZINC000004270378	568956618	/nfs/dbraw/zinc/95/66/18/568956618.db2.gz	JWUKYRVZJLFUQM-UHFFFAOYSA-N	-1	0	400.416	3.251	50	5		HGBARM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000008779783	571118868	/nfs/dbraw/zinc/11/88/68/571118868.db2.gz	ZVZTWNFIHCMGKD-UHFFFAOYSA-N	-1	0	405.432	3.130	50	5		HGBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008971892	132334323	/nfs/dbraw/zinc/33/43/23/132334323.db2.gz	FPTLILCQASKCBJ-UTKZUKDTSA-N	-1	0	406.398	3.229	50	5		HGBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558032	523402440	/nfs/dbraw/zinc/40/24/40/523402440.db2.gz	QTUSABNVFCKKIP-UHFFFAOYSA-N	-1	0	417.443	3.140	50	5		HGBARM
CNc1nc([N-]c2ccccc2[N+](=O)[O-])nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000009554179	557701782	/nfs/dbraw/zinc/70/17/82/557701782.db2.gz	NKIBMAZAZPPCAP-UHFFFAOYSA-N	-1	0	412.250	3.437	50	5		HGBARM
Cc1c([N+](=O)[O-])cnn1CCc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1	ZINC000002731049	568804376	/nfs/dbraw/zinc/80/43/76/568804376.db2.gz	WVAWZYLYGQKSJH-UHFFFAOYSA-N	-1	0	410.463	3.182	50	5		HGBARM
O=[N+]([O-])c1cnn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c1	ZINC000002731151	568804418	/nfs/dbraw/zinc/80/44/18/568804418.db2.gz	QZOWVNKNSXOYCZ-UHFFFAOYSA-N	-1	0	416.854	3.333	50	5		HGBARM
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000003003497	568836942	/nfs/dbraw/zinc/83/69/42/568836942.db2.gz	VZEYIYFLMSZHLO-UHFFFAOYSA-N	-1	0	409.807	3.082	50	5		HGBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000006184295	569029036	/nfs/dbraw/zinc/02/90/36/569029036.db2.gz	WHCYEWNWDCDDAI-CYBMUJFWSA-N	-1	0	419.242	3.396	50	5		HGBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000009882911	569251407	/nfs/dbraw/zinc/25/14/07/569251407.db2.gz	QIUWUCCIXSFRCL-CYBMUJFWSA-N	-1	0	419.242	3.396	50	5		HGBARM
CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008920067	571155195	/nfs/dbraw/zinc/15/51/95/571155195.db2.gz	YQIOPCAXGAXWEX-PBHICJAKSA-N	-1	0	418.427	3.001	50	5		HGBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCCCCC1	ZINC000009762968	571284675	/nfs/dbraw/zinc/28/46/75/571284675.db2.gz	XVTXYVSBDWPZSA-SFHVURJKSA-N	-1	0	417.849	3.237	50	5		HGBARM
O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000009958327	571291749	/nfs/dbraw/zinc/29/17/49/571291749.db2.gz	QJCLHVPLLULAMA-LBPRGKRZSA-N	-1	0	419.242	3.396	50	5		HGBARM
O=C([O-])c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000003158275	132262883	/nfs/dbraw/zinc/26/28/83/132262883.db2.gz	FDRBLHSYBLXGRH-UHFFFAOYSA-N	-1	0	407.294	3.155	50	5		HGBARM
COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000013961487	559012002	/nfs/dbraw/zinc/01/20/02/559012002.db2.gz	BHWUYDNBPCLKOD-QAPCUYQASA-N	-1	0	404.444	3.279	50	5		HGBARM
O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005027828	559229665	/nfs/dbraw/zinc/22/96/65/559229665.db2.gz	QISXLWDLGXMLQO-UHFFFAOYSA-N	-1	0	403.460	3.458	50	5		HGBARM
O=C1NC(c2ccccc2)=N[C@@]1([N-]c1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F	ZINC000019939297	568585953	/nfs/dbraw/zinc/58/59/53/568585953.db2.gz	JONNQFPDCDLQBH-INIZCTEOSA-N	-1	0	421.360	3.452	50	5		HGBARM
Cc1nn(Cc2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002762844	568807101	/nfs/dbraw/zinc/80/71/01/568807101.db2.gz	BRFRNNRNIWKASG-UHFFFAOYSA-N	-1	0	404.423	3.396	50	5		HGBARM
O=C([O-])c1cccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1	ZINC000016399277	569041081	/nfs/dbraw/zinc/04/10/81/569041081.db2.gz	CWJRRPSXONPWLG-UHFFFAOYSA-N	-1	0	407.294	3.155	50	5		HGBARM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000036144289	569097719	/nfs/dbraw/zinc/09/77/19/569097719.db2.gz	MNJOBZVDZSUCLN-SXGWCWSVSA-N	-1	0	413.411	3.284	50	5		HGBARM
O=C([O-])CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc2nccnc2c1	ZINC000012981297	569405704	/nfs/dbraw/zinc/40/57/04/569405704.db2.gz	SGRHNKZHCYPESJ-IBGZPJMESA-N	-1	0	419.397	3.081	50	5		HGBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1C	ZINC000079054870	569425860	/nfs/dbraw/zinc/42/58/60/569425860.db2.gz	WGNQUVQMBBOKAN-UHFFFAOYSA-N	-1	0	406.416	3.060	50	5		HGBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cc1	ZINC000008856245	571128026	/nfs/dbraw/zinc/12/80/26/571128026.db2.gz	FKNBAZIOQYAYEU-UHFFFAOYSA-N	-1	0	412.139	3.150	50	5		HGBARM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000042783194	518818272	/nfs/dbraw/zinc/81/82/72/518818272.db2.gz	MUEKRMPXOVXPFC-JQWIXIFHSA-N	-1	0	420.340	3.455	50	5		HGBARM
O=C([O-])c1ccccc1S(=O)(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000013880573	558889284	/nfs/dbraw/zinc/88/92/84/558889284.db2.gz	CSGDECHOCKTLGY-UHFFFAOYSA-N	-1	0	420.277	3.053	50	5		HGBARM
C[C@@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005077855	559240741	/nfs/dbraw/zinc/24/07/41/559240741.db2.gz	VNSIQQLBKWFHKO-CQSZACIVSA-N	-1	0	403.460	3.410	50	5		HGBARM
O=C([N-]c1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100811527	559268902	/nfs/dbraw/zinc/26/89/02/559268902.db2.gz	BKHSDLWFIAYXPL-UHFFFAOYSA-N	-1	0	416.331	3.182	50	5		HGBARM
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccccn1	ZINC000005392683	560625488	/nfs/dbraw/zinc/62/54/88/560625488.db2.gz	IEKJPDAZTZVGKH-UHFFFAOYSA-N	-1	0	413.411	3.030	50	5		HGBARM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N1	ZINC000001167445	568775452	/nfs/dbraw/zinc/77/54/52/568775452.db2.gz	AJOGEPNBRSANJX-RIYZIHGNSA-N	-1	0	418.203	3.117	50	5		HGBARM
CC(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003886172	568836752	/nfs/dbraw/zinc/83/67/52/568836752.db2.gz	OPRRBLQVHCAVFZ-MRXNPFEDSA-N	-1	0	413.496	3.071	50	5		HGBARM
O=C1O[C@]2(c3ccccc31)c1ccc(O)cc1Oc1cc([O-])c([N+](=O)[O-])c([N+](=O)[O-])c12	ZINC000230141806	568852385	/nfs/dbraw/zinc/85/23/85/568852385.db2.gz	NVJAFBAQNWODCX-HXUWFJFHSA-N	-1	0	422.305	3.482	50	5		HGBARM
CCOc1ccc(-c2nn3c(CCCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000089991200	569271251	/nfs/dbraw/zinc/27/12/51/569271251.db2.gz	VKBGOBWDAJOOTM-UHFFFAOYSA-N	-1	0	404.426	3.111	50	5		HGBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)ccc1Cl	ZINC000008861457	571128661	/nfs/dbraw/zinc/12/86/61/571128661.db2.gz	XXJXFTWRCQHCRB-UHFFFAOYSA-N	-1	0	414.230	3.283	50	5		HGBARM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000009467635	571261317	/nfs/dbraw/zinc/26/13/17/571261317.db2.gz	SIPCFLHFZLBYLL-UHFFFAOYSA-N	-1	0	417.365	3.051	50	5		HGBARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000013546557	558842388	/nfs/dbraw/zinc/84/23/88/558842388.db2.gz	NHBPXALMWFQPGC-OVCLIPMQSA-N	-1	0	417.805	3.406	50	5		HGBARM
CCOc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1	ZINC000005204328	560538456	/nfs/dbraw/zinc/53/84/56/560538456.db2.gz	JIPDQRTURCTCRJ-UHFFFAOYSA-N	-1	0	400.416	3.251	50	5		HGBARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101495357	560796350	/nfs/dbraw/zinc/79/63/50/560796350.db2.gz	QKDVXUUZJUYWJM-MRXNPFEDSA-N	-1	0	424.438	3.045	50	5		HGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(I)cc1F	ZINC000095634839	568640367	/nfs/dbraw/zinc/64/03/67/568640367.db2.gz	QMAOYUJLCXFJPR-UHFFFAOYSA-N	-1	0	422.175	3.139	50	5		HGBARM
CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)s2)on1	ZINC000020994801	568656498	/nfs/dbraw/zinc/65/64/98/568656498.db2.gz	XGXCDWLEEDGFFX-UHFFFAOYSA-N	-1	0	423.428	3.289	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)cc1	ZINC000012631462	568883442	/nfs/dbraw/zinc/88/34/42/568883442.db2.gz	GPOPBUZAXJBXPS-UHFFFAOYSA-N	-1	0	413.459	3.381	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)c([N+](=O)[O-])c1	ZINC000058292328	568909182	/nfs/dbraw/zinc/90/91/82/568909182.db2.gz	ZFJGQKLDTWIWIG-UHFFFAOYSA-N	-1	0	419.459	3.030	50	5		HGBARM
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1I	ZINC000016400773	569041140	/nfs/dbraw/zinc/04/11/40/569041140.db2.gz	MYQQKHOFDSBBMP-UHFFFAOYSA-N	-1	0	412.139	3.150	50	5		HGBARM
COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cc(C)ccc1[N+](=O)[O-]	ZINC000036612365	569208896	/nfs/dbraw/zinc/20/88/96/569208896.db2.gz	KZSTUVREULLFRV-KDOFPFPSSA-N	-1	0	404.444	3.279	50	5		HGBARM
CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1	ZINC000089856622	569267298	/nfs/dbraw/zinc/26/72/98/569267298.db2.gz	BTVJSNGQOLZVIW-UHFFFAOYSA-N	-1	0	421.298	3.208	50	5		HGBARM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1	ZINC000009892652	569394356	/nfs/dbraw/zinc/39/43/56/569394356.db2.gz	LDKOASKFSPZBMN-RIYZIHGNSA-N	-1	0	418.203	3.117	50	5		HGBARM
CCOc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000008741843	571110177	/nfs/dbraw/zinc/11/01/77/571110177.db2.gz	SFHZBMUHVBHBQH-MRXNPFEDSA-N	-1	0	416.411	3.116	50	5		HGBARM
CN(Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)[O-]	ZINC000008861905	571128545	/nfs/dbraw/zinc/12/85/45/571128545.db2.gz	AVQVZMPRDBZIEJ-UHFFFAOYSA-N	-1	0	408.414	3.271	50	5		HGBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)c([N+](=O)[O-])c1	ZINC000023394320	559173656	/nfs/dbraw/zinc/17/36/56/559173656.db2.gz	YLCTVWHWRFPMQA-UHFFFAOYSA-N	-1	0	419.459	3.077	50	5		HGBARM
O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005027826	559229643	/nfs/dbraw/zinc/22/96/43/559229643.db2.gz	WAYGBBAJMQNOOM-UHFFFAOYSA-N	-1	0	411.439	3.326	50	5		HGBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1	ZINC000005652810	560637065	/nfs/dbraw/zinc/63/70/65/560637065.db2.gz	RHYYFXIZYDVAKT-UHFFFAOYSA-N	-1	0	413.459	3.381	50	5		HGBARM
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000017863429	560729774	/nfs/dbraw/zinc/72/97/74/560729774.db2.gz	YKJCMRVVTYPJNS-UHFFFAOYSA-N	-1	0	422.235	3.082	50	5		HGBARM
O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001149648	568772703	/nfs/dbraw/zinc/77/27/03/568772703.db2.gz	MTIKHHRLNVOJAY-UHFFFAOYSA-N	-1	0	411.439	3.326	50	5		HGBARM
Cc1cc([N+](=O)[O-])nn1CCc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1	ZINC000002730838	568804833	/nfs/dbraw/zinc/80/48/33/568804833.db2.gz	VVHZZNMHGCPMSS-UHFFFAOYSA-N	-1	0	410.463	3.182	50	5		HGBARM
CC(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003886171	568836767	/nfs/dbraw/zinc/83/67/67/568836767.db2.gz	OPRRBLQVHCAVFZ-INIZCTEOSA-N	-1	0	413.496	3.071	50	5		HGBARM
CCOC(=O)CCCOc1cc([N+](=O)[O-])c([C@@H](C)[N-]C(=O)C(F)(F)F)cc1OC	ZINC000043214662	569012953	/nfs/dbraw/zinc/01/29/53/569012953.db2.gz	VJJPGRANBSTQRO-SNVBAGLBSA-N	-1	0	422.356	3.065	50	5		HGBARM
O=C1S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000036046696	569081475	/nfs/dbraw/zinc/08/14/75/569081475.db2.gz	MLRDPANLJCFTAT-NVNXTCNLSA-N	-1	0	401.356	3.445	50	5		HGBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCCCCC1	ZINC000009762969	571284605	/nfs/dbraw/zinc/28/46/05/571284605.db2.gz	XVTXYVSBDWPZSA-GOSISDBHSA-N	-1	0	417.849	3.237	50	5		HGBARM
CCc1ccc([N-]S(=O)(=O)c2cn(CC(=O)OC)c3ccc([N+](=O)[O-])cc23)cc1	ZINC000020558012	523996291	/nfs/dbraw/zinc/99/62/91/523996291.db2.gz	AYXALBXKHBRPRY-UHFFFAOYSA-N	-1	0	417.443	3.086	50	5		HGBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1ccccc1)C2=O	ZINC000009433936	535496794	/nfs/dbraw/zinc/49/67/94/535496794.db2.gz	WAKKQIBHJFCIGR-PGRDOPGGSA-N	-1	0	422.441	3.025	50	5		HGBARM
O=C(NC1CCCCC1)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004551090	558685380	/nfs/dbraw/zinc/68/53/80/558685380.db2.gz	CDWOQYBFMWFVAI-GOSISDBHSA-N	-1	0	417.849	3.283	50	5		HGBARM
Nc1ccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1[N+](=O)[O-]	ZINC000408518598	559213555	/nfs/dbraw/zinc/21/35/55/559213555.db2.gz	PQDYYNRFTCUMCX-UHFFFAOYSA-N	-1	0	407.191	3.193	50	5		HGBARM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001167394	568775342	/nfs/dbraw/zinc/77/53/42/568775342.db2.gz	NFSMGAOJOVTQRA-VGOFMYFVSA-N	-1	0	403.778	3.016	50	5		HGBARM
CCOCN1C(C)=C(C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C	ZINC000002546528	568781783	/nfs/dbraw/zinc/78/17/83/568781783.db2.gz	QGMIHHWHFXKWNT-SFHVURJKSA-N	-1	0	404.419	3.184	50	5		HGBARM
O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002765992	568807031	/nfs/dbraw/zinc/80/70/31/568807031.db2.gz	CEPMQHAKRKONJS-UHFFFAOYSA-N	-1	0	402.235	3.380	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(COc3cccc(Cl)c3)c2)cc1	ZINC000002804124	568811426	/nfs/dbraw/zinc/81/14/26/568811426.db2.gz	AHXPIPNTIYUGNW-UHFFFAOYSA-N	-1	0	408.823	3.282	50	5		HGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)cc1	ZINC000002804707	568811569	/nfs/dbraw/zinc/81/15/69/568811569.db2.gz	HONGJULLJVFXJV-UHFFFAOYSA-N	-1	0	410.814	3.433	50	5		HGBARM
CC1CCN(C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000012464039	568837876	/nfs/dbraw/zinc/83/78/76/568837876.db2.gz	OXOAPYYCILWFSN-GOSISDBHSA-N	-1	0	417.849	3.092	50	5		HGBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006194593	569031366	/nfs/dbraw/zinc/03/13/66/569031366.db2.gz	QSCQWWPDKWZJQK-CQSZACIVSA-N	-1	0	419.242	3.396	50	5		HGBARM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc21	ZINC000064952014	569132527	/nfs/dbraw/zinc/13/25/27/569132527.db2.gz	DJTRENJTIIIGSR-UHFFFAOYSA-N	-1	0	407.473	3.244	50	5		HGBARM
O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC1	ZINC000089780839	569264178	/nfs/dbraw/zinc/26/41/78/569264178.db2.gz	ZFBNKKLNGIOQQH-UHFFFAOYSA-N	-1	0	423.878	3.426	50	5		HGBARM
CCCNC(=O)CSc1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000253426422	569368288	/nfs/dbraw/zinc/36/82/88/569368288.db2.gz	ZZVXUNAMUUMPBA-UHFFFAOYSA-N	-1	0	400.507	3.063	50	5		HGBARM