smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1	ZINC000515921983	974304067	/nfs/dbraw/zinc/30/40/67/974304067.db2.gz	MMAOCWNQQJHVRH-LBPRGKRZSA-N	-2	1	392.433	3.276	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000769634336	978742316	/nfs/dbraw/zinc/74/23/16/978742316.db2.gz	WFUVVLLELVSBGY-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)c1	ZINC001597137628	986877007	/nfs/dbraw/zinc/87/70/07/986877007.db2.gz	MVUPEDKULITIPC-UHFFFAOYSA-N	-2	1	394.405	3.109	20	5		GGBDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC001590493904	990098699	/nfs/dbraw/zinc/09/86/99/990098699.db2.gz	RAZWKCKHOTYMSO-UHFFFAOYSA-N	-2	1	378.406	3.391	20	5		GGBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000327183228	565627917	/nfs/dbraw/zinc/62/79/17/565627917.db2.gz	ZCOJSPCKNRRLQI-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000327574493	565632038	/nfs/dbraw/zinc/63/20/38/565632038.db2.gz	FQKNRILYJPJJMH-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000327678702	565632071	/nfs/dbraw/zinc/63/20/71/565632071.db2.gz	MPKAHSMKXYWWNY-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000484789383	566454878	/nfs/dbraw/zinc/45/48/78/566454878.db2.gz	LAOKJRGMRFCDFI-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CCC[C@@H](CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000567317718	567236430	/nfs/dbraw/zinc/23/64/30/567236430.db2.gz	HKNUINPGPONAPK-NSHDSACASA-N	-2	1	392.861	3.198	20	5		GGBDML
CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000551589660	567522203	/nfs/dbraw/zinc/52/22/03/567522203.db2.gz	AJIOJXFRKXLAKR-HNNXBMFYSA-N	-2	1	392.861	3.196	20	5		GGBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1[N+](=O)[O-]	ZINC000442215849	567685347	/nfs/dbraw/zinc/68/53/47/567685347.db2.gz	QGHJCWLAKZUIKQ-UHFFFAOYSA-N	-2	1	392.723	3.025	20	5		GGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738287811	599853203	/nfs/dbraw/zinc/85/32/03/599853203.db2.gz	FWVZBUIZJLKVLO-UHFFFAOYSA-N	-2	1	398.824	3.375	20	5		GGBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(CSCC(=O)[O-])c1	ZINC000738306161	599927314	/nfs/dbraw/zinc/92/73/14/599927314.db2.gz	WCQIGDRLGLQRDN-UHFFFAOYSA-N	-2	1	396.446	3.022	20	5		GGBDML
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000739666263	599981210	/nfs/dbraw/zinc/98/12/10/599981210.db2.gz	KOQXIGQFLARBMY-ZDUSSCGKSA-N	-2	1	398.824	3.133	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1C	ZINC000738483110	600101067	/nfs/dbraw/zinc/10/10/67/600101067.db2.gz	WXHLZZWMOYFVSP-UHFFFAOYSA-N	-2	1	383.357	3.241	20	5		GGBDML
O=C([O-])CCCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1	ZINC000739710196	600539984	/nfs/dbraw/zinc/53/99/84/600539984.db2.gz	CILIVXFHVRMYOR-UHFFFAOYSA-N	-2	1	392.418	3.321	20	5		GGBDML
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000484989339	600899509	/nfs/dbraw/zinc/89/95/09/600899509.db2.gz	UVJRGRDJRSELQE-UHFFFAOYSA-N	-2	1	378.406	3.066	20	5		GGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1	ZINC000157729321	1424075852	/nfs/dbraw/zinc/07/58/52/1424075852.db2.gz	KMUZRGCNANZDHD-UHFFFAOYSA-N	-2	1	375.362	3.065	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000541804123	974413023	/nfs/dbraw/zinc/41/30/23/974413023.db2.gz	BAXYYLHKTZEEHJ-LBPRGKRZSA-N	-2	1	392.433	3.221	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000544641512	974421021	/nfs/dbraw/zinc/42/10/21/974421021.db2.gz	JDEDHEUGYNIQFQ-CYBMUJFWSA-N	-2	1	392.433	3.276	20	5		GGBDML
Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000592970172	974977875	/nfs/dbraw/zinc/97/78/75/974977875.db2.gz	RBEHAWADZMQCKP-UHFFFAOYSA-N	-2	1	384.388	3.406	20	5		GGBDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1C	ZINC000603848856	975014583	/nfs/dbraw/zinc/01/45/83/975014583.db2.gz	VBEQTMNDQNGEMO-UHFFFAOYSA-N	-2	1	378.406	3.327	20	5		GGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc([N+](=O)[O-])c1F	ZINC000758169802	978704731	/nfs/dbraw/zinc/70/47/31/978704731.db2.gz	LADGNHYBKDZQOX-LLVKDONJSA-N	-2	1	396.396	3.106	20	5		GGBDML
C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000758169283	978704783	/nfs/dbraw/zinc/70/47/83/978704783.db2.gz	IGUHWEPARFVKAN-SNVBAGLBSA-N	-2	1	398.824	3.312	20	5		GGBDML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc([N+](=O)[O-])c1F	ZINC000776503603	978750663	/nfs/dbraw/zinc/75/06/63/978750663.db2.gz	OQHNMWXZODPJNB-UHFFFAOYSA-N	-2	1	382.369	3.158	20	5		GGBDML
CCCCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001595688049	982181646	/nfs/dbraw/zinc/18/16/46/982181646.db2.gz	WIYNWGBIHLVONO-JTQLQIEISA-N	-2	1	399.252	3.213	20	5		GGBDML
CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001594951741	982661327	/nfs/dbraw/zinc/66/13/27/982661327.db2.gz	BCYPTBYNZLOQKU-GMSGAONNSA-N	-2	1	399.252	3.069	20	5		GGBDML
CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC001594952413	982668881	/nfs/dbraw/zinc/66/88/81/982668881.db2.gz	GCQPKPNVGYCXPC-IONNQARKSA-N	-2	1	399.252	3.069	20	5		GGBDML
CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC001594952411	982668922	/nfs/dbraw/zinc/66/89/22/982668922.db2.gz	GCQPKPNVGYCXPC-CBAPKCEASA-N	-2	1	399.252	3.069	20	5		GGBDML
CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC001595008242	982928031	/nfs/dbraw/zinc/92/80/31/982928031.db2.gz	MAVRPULLPXKCIJ-NSHDSACASA-N	-2	1	394.405	3.271	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC001597563241	988312782	/nfs/dbraw/zinc/31/27/82/988312782.db2.gz	CLRHDUBZXDKAJE-YHYXMXQVSA-N	-2	1	376.390	3.056	20	5		GGBDML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)c1C	ZINC001599616738	994024306	/nfs/dbraw/zinc/02/43/06/994024306.db2.gz	NYKCVFYOAMOOMY-UHFFFAOYSA-N	-2	1	394.405	3.028	20	5		GGBDML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599616801	994025737	/nfs/dbraw/zinc/02/57/37/994025737.db2.gz	QTQVEPYSGFPELE-UHFFFAOYSA-N	-2	1	394.405	3.226	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1[O-]	ZINC000172901242	565512214	/nfs/dbraw/zinc/51/22/14/565512214.db2.gz	MDQNJEARFFDMHJ-UHFFFAOYSA-N	-2	1	376.312	3.206	20	5		GGBDML
Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000389423888	565554881	/nfs/dbraw/zinc/55/48/81/565554881.db2.gz	WGCDJYJCJHGAHC-UHFFFAOYSA-N	-2	1	387.211	3.172	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)ccc1[O-]	ZINC000315745170	565590029	/nfs/dbraw/zinc/59/00/29/565590029.db2.gz	MGWTZYAGRQYEKM-UHFFFAOYSA-N	-2	1	391.174	3.003	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000327758799	565632897	/nfs/dbraw/zinc/63/28/97/565632897.db2.gz	ORQNSLVHUVDGIM-UHFFFAOYSA-N	-2	1	384.797	3.310	20	5		GGBDML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1[N+](=O)[O-]	ZINC000584695287	567061845	/nfs/dbraw/zinc/06/18/45/567061845.db2.gz	JIOGAMNSTGXFJH-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CCC[C@H](CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000567317716	567236225	/nfs/dbraw/zinc/23/62/25/567236225.db2.gz	HKNUINPGPONAPK-LLVKDONJSA-N	-2	1	392.861	3.198	20	5		GGBDML
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1C	ZINC000548198211	567288499	/nfs/dbraw/zinc/28/84/99/567288499.db2.gz	DJDQUTOOODYQKK-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1F	ZINC000548262771	567300567	/nfs/dbraw/zinc/30/05/67/567300567.db2.gz	ZDPWQDGSGSPKHG-UHFFFAOYSA-N	-2	1	392.723	3.025	20	5		GGBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000479254171	567518743	/nfs/dbraw/zinc/51/87/43/567518743.db2.gz	SKYRUBSKGSFCAC-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000547874154	599979394	/nfs/dbraw/zinc/97/93/94/599979394.db2.gz	PNIABQBRLLNTJT-CYBMUJFWSA-N	-2	1	398.824	3.133	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000738399775	600245375	/nfs/dbraw/zinc/24/53/75/600245375.db2.gz	SHNYKFXDACOJSI-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CN(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000737486085	600300820	/nfs/dbraw/zinc/30/08/20/600300820.db2.gz	NVAIIJMOVFZRBI-UHFFFAOYSA-N	-2	1	399.812	3.159	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1C	ZINC000738482922	600301079	/nfs/dbraw/zinc/30/10/79/600301079.db2.gz	RBVOGQCYCCKUAI-UHFFFAOYSA-N	-2	1	393.421	3.122	20	5		GGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738287190	600302933	/nfs/dbraw/zinc/30/29/33/600302933.db2.gz	BEIKOWHTTBGEQG-UHFFFAOYSA-N	-2	1	399.812	3.125	20	5		GGBDML
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000826912560	600688714	/nfs/dbraw/zinc/68/87/14/600688714.db2.gz	BJJHHMDATYHKRE-UHFFFAOYSA-N	-2	1	378.406	3.292	20	5		GGBDML
CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000484545710	600689007	/nfs/dbraw/zinc/68/90/07/600689007.db2.gz	WNLBISCFBMYVNL-UHFFFAOYSA-N	-2	1	394.405	3.129	20	5		GGBDML
CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000830266030	600690939	/nfs/dbraw/zinc/69/09/39/600690939.db2.gz	YTEPOVBUGXMADM-UHFFFAOYSA-N	-2	1	378.406	3.219	20	5		GGBDML
O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000740076265	600887689	/nfs/dbraw/zinc/88/76/89/600887689.db2.gz	UQQKECJSFLQORY-UHFFFAOYSA-N	-2	1	391.188	3.401	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000524813270	600899525	/nfs/dbraw/zinc/89/95/25/600899525.db2.gz	WFKNBASBSVPCAL-UHFFFAOYSA-N	-2	1	392.433	3.320	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1C	ZINC000525330016	600900074	/nfs/dbraw/zinc/90/00/74/600900074.db2.gz	PBPWFKBRLTVRKT-UHFFFAOYSA-N	-2	1	392.433	3.375	20	5		GGBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c([N+](=O)[O-])c1	ZINC000833323522	601335731	/nfs/dbraw/zinc/33/57/31/601335731.db2.gz	LCNKSSBDXXFSGV-UHFFFAOYSA-N	-2	1	392.723	3.025	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000754757766	602323129	/nfs/dbraw/zinc/32/31/29/602323129.db2.gz	CNPZTKMLIUYDTF-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1	ZINC000777923493	605289376	/nfs/dbraw/zinc/28/93/76/605289376.db2.gz	VDNHXUKNDYCZJB-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)o1	ZINC000026540125	1399898000	/nfs/dbraw/zinc/89/80/00/1399898000.db2.gz	HIIDCGBLPRZWGP-UHFFFAOYSA-N	-2	1	375.362	3.065	20	5		GGBDML
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1cccc(O)c1F	ZINC000131527393	1416571579	/nfs/dbraw/zinc/57/15/79/1416571579.db2.gz	IBRPTQYRQFSNOK-UHFFFAOYSA-N	-2	1	391.174	3.003	20	5		GGBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000912731614	957093787	/nfs/dbraw/zinc/09/37/87/957093787.db2.gz	KFMBGFMZAFDTKX-UHFFFAOYSA-N	-2	1	396.446	3.189	20	5		GGBDML
Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000592970129	974977927	/nfs/dbraw/zinc/97/79/27/974977927.db2.gz	HPBMRPVXGQPJSN-UHFFFAOYSA-N	-2	1	384.388	3.406	20	5		GGBDML
CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001594951742	982661729	/nfs/dbraw/zinc/66/17/29/982661729.db2.gz	BCYPTBYNZLOQKU-OIBJUYFYSA-N	-2	1	399.252	3.069	20	5		GGBDML
CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1	ZINC001595966830	983174303	/nfs/dbraw/zinc/17/43/03/983174303.db2.gz	SKRRZVWEHZZCLK-UHFFFAOYSA-N	-2	1	394.405	3.191	20	5		GGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000392797599	565566783	/nfs/dbraw/zinc/56/67/83/565566783.db2.gz	SEEOIFMINPDHDF-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1[N+](=O)[O-]	ZINC000536701008	566394707	/nfs/dbraw/zinc/39/47/07/566394707.db2.gz	AUVKXBCCLYGIIZ-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)ccc1[O-]	ZINC000504025519	567519365	/nfs/dbraw/zinc/51/93/65/567519365.db2.gz	MCZKDVOGTSCDJD-UHFFFAOYSA-N	-2	1	394.739	3.356	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)ccc1[O-]	ZINC000012521424	570828370	/nfs/dbraw/zinc/82/83/70/570828370.db2.gz	SJMXEQOIFXNDJL-UHFFFAOYSA-N	-2	1	378.406	3.423	20	5		GGBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CSCC(=O)[O-])c1	ZINC000738663861	599926823	/nfs/dbraw/zinc/92/68/23/599926823.db2.gz	BBRNQRIHTQBCDG-UHFFFAOYSA-N	-2	1	396.446	3.022	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1	ZINC000737268150	600100074	/nfs/dbraw/zinc/10/00/74/600100074.db2.gz	STFXHZHAZLMGFO-UHFFFAOYSA-N	-2	1	383.357	3.187	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000736420517	600244651	/nfs/dbraw/zinc/24/46/51/600244651.db2.gz	IQCRXDKRGBIIEH-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000610111311	600899255	/nfs/dbraw/zinc/89/92/55/600899255.db2.gz	ULWJIPYKDFVGIU-UHFFFAOYSA-N	-2	1	378.406	3.066	20	5		GGBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000524813435	600899559	/nfs/dbraw/zinc/89/95/59/600899559.db2.gz	OKFOCQGMAUFLBT-UHFFFAOYSA-N	-2	1	378.406	3.066	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000481976152	601474947	/nfs/dbraw/zinc/47/49/47/601474947.db2.gz	ULLCUWQTZPHNSQ-UHFFFAOYSA-N	-2	1	392.433	3.375	20	5		GGBDML
O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000833321991	602063028	/nfs/dbraw/zinc/06/30/28/602063028.db2.gz	CAJWCRQOCHDUAW-UHFFFAOYSA-N	-2	1	381.344	3.452	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000832885471	602315755	/nfs/dbraw/zinc/31/57/55/602315755.db2.gz	APQCBMRJCJQPES-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1	ZINC000832886112	602317995	/nfs/dbraw/zinc/31/79/95/602317995.db2.gz	VJDGPZXCCLRSHX-UHFFFAOYSA-N	-2	1	398.824	3.375	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)ccc1[O-]	ZINC000024101170	1399603640	/nfs/dbraw/zinc/60/36/40/1399603640.db2.gz	NQDFQWJOYKJUMG-UHFFFAOYSA-N	-2	1	377.422	3.092	20	5		GGBDML
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(Cl)cc(-c2nnn[n-]2)cc1Cl	ZINC000826451408	1427475341	/nfs/dbraw/zinc/47/53/41/1427475341.db2.gz	FYLQFOJWWKVEBY-UHFFFAOYSA-N	-2	1	395.162	3.040	20	5		GGBDML
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000484548780	974220658	/nfs/dbraw/zinc/22/06/58/974220658.db2.gz	CDAFYWYAQYHLCY-UHFFFAOYSA-N	-2	1	378.406	3.391	20	5		GGBDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000551113832	974476863	/nfs/dbraw/zinc/47/68/63/974476863.db2.gz	FMVZYVWBUMWMEY-UHFFFAOYSA-N	-2	1	392.433	3.320	20	5		GGBDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000759111734	978705180	/nfs/dbraw/zinc/70/51/80/978705180.db2.gz	TVAMQSUKFNXFCY-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000769630316	978742537	/nfs/dbraw/zinc/74/25/37/978742537.db2.gz	HRNDKDBXZRDQCD-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001594951744	982661595	/nfs/dbraw/zinc/66/15/95/982661595.db2.gz	BCYPTBYNZLOQKU-XCBNKYQSSA-N	-2	1	399.252	3.069	20	5		GGBDML
CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC001594952416	982669004	/nfs/dbraw/zinc/66/90/04/982669004.db2.gz	GCQPKPNVGYCXPC-VXNVDRBHSA-N	-2	1	399.252	3.069	20	5		GGBDML
CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC001594952409	982669029	/nfs/dbraw/zinc/66/90/29/982669029.db2.gz	GCQPKPNVGYCXPC-APPZFPTMSA-N	-2	1	399.252	3.069	20	5		GGBDML
Cc1[nH]nc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)[O-])c1[N+](=O)[O-]	ZINC001599967291	985929545	/nfs/dbraw/zinc/92/95/45/985929545.db2.gz	IDAFMVOTQFBJCQ-UHFFFAOYSA-N	-2	1	384.801	3.099	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC001597563240	988313096	/nfs/dbraw/zinc/31/30/96/988313096.db2.gz	CLRHDUBZXDKAJE-BJMVGYQFSA-N	-2	1	376.390	3.056	20	5		GGBDML
CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1	ZINC001599821292	988518227	/nfs/dbraw/zinc/51/82/27/988518227.db2.gz	UEEZAZLYIRIIDY-UHFFFAOYSA-N	-2	1	382.419	3.124	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1	ZINC000481959315	566269027	/nfs/dbraw/zinc/26/90/27/566269027.db2.gz	VITCGLCQLKJUKZ-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1	ZINC000481966157	566270888	/nfs/dbraw/zinc/27/08/88/566270888.db2.gz	FYTDEJXTUQCVMK-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000447346846	566405823	/nfs/dbraw/zinc/40/58/23/566405823.db2.gz	HOUMZSXPDGPVEO-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000548265582	567302890	/nfs/dbraw/zinc/30/28/90/567302890.db2.gz	DPKKEUZAKLUAJT-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000551589661	567521570	/nfs/dbraw/zinc/52/15/70/567521570.db2.gz	AJIOJXFRKXLAKR-OAHLLOKOSA-N	-2	1	392.861	3.196	20	5		GGBDML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1	ZINC000442225192	567686887	/nfs/dbraw/zinc/68/68/87/567686887.db2.gz	XDCUWGDBGIRYGP-UHFFFAOYSA-N	-2	1	392.723	3.025	20	5		GGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C	ZINC000508240884	567739173	/nfs/dbraw/zinc/73/91/73/567739173.db2.gz	XJFXVGOJMHGXAG-UHFFFAOYSA-N	-2	1	385.829	3.129	20	5		GGBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1	ZINC000484557385	600690568	/nfs/dbraw/zinc/69/05/68/600690568.db2.gz	UOPCVWCHNOEKNK-UHFFFAOYSA-N	-2	1	390.295	3.113	20	5		GGBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000484970770	600898880	/nfs/dbraw/zinc/89/88/80/600898880.db2.gz	WWJNWIBGBHPVIW-UHFFFAOYSA-N	-2	1	378.406	3.066	20	5		GGBDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-]	ZINC000753084102	601782538	/nfs/dbraw/zinc/78/25/38/601782538.db2.gz	UNBOJXGEEKIOCQ-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000777932737	605289445	/nfs/dbraw/zinc/28/94/45/605289445.db2.gz	AGTCMNCHHQTKNY-UHFFFAOYSA-N	-2	1	396.396	3.205	20	5		GGBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1	ZINC000833744744	605290639	/nfs/dbraw/zinc/29/06/39/605290639.db2.gz	IZDSJTXTDPPEPK-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)ccc1[O-]	ZINC000067659753	1409200085	/nfs/dbraw/zinc/20/00/85/1409200085.db2.gz	SXZYKVZLPJIIPZ-UHFFFAOYSA-N	-2	1	391.327	3.075	20	5		GGBDML
CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2n1	ZINC000134045853	1417014467	/nfs/dbraw/zinc/01/44/67/1417014467.db2.gz	BBEGRZUGWNKFBZ-UHFFFAOYSA-N	-2	1	376.394	3.032	20	5		GGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1	ZINC000156394264	1423804983	/nfs/dbraw/zinc/80/49/83/1423804983.db2.gz	MFLAVOXJQKQBIA-UHFFFAOYSA-N	-2	1	391.449	3.400	20	5		GGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1	ZINC000156555463	1423827667	/nfs/dbraw/zinc/82/76/67/1423827667.db2.gz	SWCAWYAIUWEFNU-UHFFFAOYSA-N	-2	1	389.389	3.428	20	5		GGBDML
CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000195449122	1433330992	/nfs/dbraw/zinc/33/09/92/1433330992.db2.gz	YSBQBHJDACHRGC-UHFFFAOYSA-N	-2	1	376.394	3.032	20	5		GGBDML
CSc1nc(C)c(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(=O)[n-]1	ZINC000272228983	1434879976	/nfs/dbraw/zinc/87/99/76/1434879976.db2.gz	LSPFDAVQVBPXOK-UHFFFAOYSA-N	-2	1	398.828	3.051	20	5		GGBDML
O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000738173869	1442094261	/nfs/dbraw/zinc/09/42/61/1442094261.db2.gz	UYEPXQPPCLEODT-UHFFFAOYSA-N	-2	1	391.347	3.148	20	5		GGBDML
O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000738173869	1442094266	/nfs/dbraw/zinc/09/42/66/1442094266.db2.gz	UYEPXQPPCLEODT-UHFFFAOYSA-N	-2	1	391.347	3.148	20	5		GGBDML
CCC(CC)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001603543093	973597756	/nfs/dbraw/zinc/59/77/56/973597756.db2.gz	FJKZZCYZLJGDPM-UHFFFAOYSA-N	-2	1	399.252	3.071	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000544641513	974420983	/nfs/dbraw/zinc/42/09/83/974420983.db2.gz	JDEDHEUGYNIQFQ-ZDUSSCGKSA-N	-2	1	392.433	3.276	20	5		GGBDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000565982626	974592775	/nfs/dbraw/zinc/59/27/75/974592775.db2.gz	CFXKRYTWGNTCDF-UHFFFAOYSA-N	-2	1	392.433	3.320	20	5		GGBDML
CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC001597594260	988432840	/nfs/dbraw/zinc/43/28/40/988432840.db2.gz	QUZMZVQJGDJGBB-UHFFFAOYSA-N	-2	1	378.406	3.273	20	5		GGBDML
Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cccc1[N+](=O)[O-]	ZINC000327151821	565628229	/nfs/dbraw/zinc/62/82/29/565628229.db2.gz	PSVXTCQLCMVJOQ-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC000447343742	566406068	/nfs/dbraw/zinc/40/60/68/566406068.db2.gz	ZSBNZUIWWPIVLV-UHFFFAOYSA-N	-2	1	382.419	3.124	20	5		GGBDML
CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1	ZINC000447345085	566406223	/nfs/dbraw/zinc/40/62/23/566406223.db2.gz	HVMDNUIGUJHCOJ-UHFFFAOYSA-N	-2	1	382.419	3.124	20	5		GGBDML
CSc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1F	ZINC000543162892	566858993	/nfs/dbraw/zinc/85/89/93/566858993.db2.gz	OPAAMSWGRIUWPH-UHFFFAOYSA-N	-2	1	390.389	3.410	20	5		GGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000491582770	566911607	/nfs/dbraw/zinc/91/16/07/566911607.db2.gz	BTJKXHDIAOAOAG-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000544640277	566976545	/nfs/dbraw/zinc/97/65/45/566976545.db2.gz	WNTXLTTUNHELJS-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc(Br)c1[O-]	ZINC000436627321	567439294	/nfs/dbraw/zinc/43/92/94/567439294.db2.gz	SIIMYYSHXYPCID-NSCUHMNNSA-N	-2	1	395.165	3.335	20	5		GGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000479245493	567518094	/nfs/dbraw/zinc/51/80/94/567518094.db2.gz	MIIAIXYXTIGSTP-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1C	ZINC000738482924	599854264	/nfs/dbraw/zinc/85/42/64/599854264.db2.gz	ROKNQDJOZQHNHB-UHFFFAOYSA-N	-2	1	378.406	3.030	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1	ZINC000737267796	600300115	/nfs/dbraw/zinc/30/01/15/600300115.db2.gz	KKZVKZGNGRMTAI-UHFFFAOYSA-N	-2	1	393.421	3.068	20	5		GGBDML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000485226484	600690694	/nfs/dbraw/zinc/69/06/94/600690694.db2.gz	WULPPXJEJMMIAC-UHFFFAOYSA-N	-2	1	394.405	3.189	20	5		GGBDML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000833323394	601355989	/nfs/dbraw/zinc/35/59/89/601355989.db2.gz	KPDUGNKBGYUBOW-UHFFFAOYSA-N	-2	1	390.295	3.113	20	5		GGBDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-]	ZINC000753067282	601782466	/nfs/dbraw/zinc/78/24/66/601782466.db2.gz	GLVVPSARQHAHNW-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	ZINC000013341130	601826723	/nfs/dbraw/zinc/82/67/23/601826723.db2.gz	YWQCTCQKXSGILH-UHFFFAOYSA-N	-2	1	391.188	3.401	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000832885846	602316049	/nfs/dbraw/zinc/31/60/49/602316049.db2.gz	MOXOEUKRLWDQEC-UHFFFAOYSA-N	-2	1	385.785	3.447	20	5		GGBDML
Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)n1	ZINC000126752719	1415548417	/nfs/dbraw/zinc/54/84/17/1415548417.db2.gz	GQDDRCQDSIJCQI-UHFFFAOYSA-N	-2	1	375.362	3.065	20	5		GGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1	ZINC000515921978	974302754	/nfs/dbraw/zinc/30/27/54/974302754.db2.gz	MMAOCWNQQJHVRH-GFCCVEGCSA-N	-2	1	392.433	3.276	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1C	ZINC000547877737	974443923	/nfs/dbraw/zinc/44/39/23/974443923.db2.gz	UMLSLDFYQHENNN-UHFFFAOYSA-N	-2	1	378.406	3.327	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000576510879	974816029	/nfs/dbraw/zinc/81/60/29/974816029.db2.gz	MSNFPTSATDPOAV-UHFFFAOYSA-N	-2	1	378.406	3.273	20	5		GGBDML
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(F)c1	ZINC001591788817	975976753	/nfs/dbraw/zinc/97/67/53/975976753.db2.gz	WDLRVLKSKPLQIX-UHFFFAOYSA-N	-2	1	398.368	3.020	20	5		GGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc([N+](=O)[O-])c1F	ZINC000758169804	978704666	/nfs/dbraw/zinc/70/46/66/978704666.db2.gz	LADGNHYBKDZQOX-NSHDSACASA-N	-2	1	396.396	3.106	20	5		GGBDML
C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000758169281	978704812	/nfs/dbraw/zinc/70/48/12/978704812.db2.gz	IGUHWEPARFVKAN-JTQLQIEISA-N	-2	1	398.824	3.312	20	5		GGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1F	ZINC000768266618	978737768	/nfs/dbraw/zinc/73/77/68/978737768.db2.gz	WTXNNBQFZWFJPF-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000795327783	978832140	/nfs/dbraw/zinc/83/21/40/978832140.db2.gz	BMIIUGMOJSFEDZ-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001594951745	982661374	/nfs/dbraw/zinc/66/13/74/982661374.db2.gz	BCYPTBYNZLOQKU-XVKPBYJWSA-N	-2	1	399.252	3.069	20	5		GGBDML
CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1	ZINC001596068875	983383128	/nfs/dbraw/zinc/38/31/28/983383128.db2.gz	OKNPEDNBNJZSBA-UHFFFAOYSA-N	-2	1	378.406	3.355	20	5		GGBDML
COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1C	ZINC001599332938	997779498	/nfs/dbraw/zinc/77/94/98/997779498.db2.gz	QKTZKSBYXRQSFB-UHFFFAOYSA-N	-2	1	394.405	3.028	20	5		GGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000012770828	206295336	/nfs/dbraw/zinc/29/53/36/206295336.db2.gz	GLMBOBDBMPDRGW-UHFFFAOYSA-N	-2	1	388.760	3.195	20	5		GGBDML
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447343319	566405593	/nfs/dbraw/zinc/40/55/93/566405593.db2.gz	NLRVCBBHBYCJCP-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
CSc1c(F)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000541305820	566713640	/nfs/dbraw/zinc/71/36/40/566713640.db2.gz	AICIMIPEKJYLMU-UHFFFAOYSA-N	-2	1	376.362	3.101	20	5		GGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000542728697	566822340	/nfs/dbraw/zinc/82/23/40/566822340.db2.gz	OFSXYOQLFVBXCU-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000491595209	566912011	/nfs/dbraw/zinc/91/20/11/566912011.db2.gz	XTDKLEDQTIPAKO-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000479280824	567521794	/nfs/dbraw/zinc/52/17/94/567521794.db2.gz	LOISGQIMNVTVDH-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F	ZINC000740012325	600101482	/nfs/dbraw/zinc/10/14/82/600101482.db2.gz	LHNPTHHYJMDEJT-UHFFFAOYSA-N	-2	1	389.748	3.278	20	5		GGBDML
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C	ZINC000832871929	600691325	/nfs/dbraw/zinc/69/13/25/600691325.db2.gz	CVBGQQQPOMRDHH-UHFFFAOYSA-N	-2	1	378.406	3.327	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1	ZINC000832905448	601475382	/nfs/dbraw/zinc/47/53/82/601475382.db2.gz	LTHIGEKSESPRIB-UHFFFAOYSA-N	-2	1	378.406	3.030	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1	ZINC000832885959	602316981	/nfs/dbraw/zinc/31/69/81/602316981.db2.gz	UJBIRHFJWCNEJR-UHFFFAOYSA-N	-2	1	399.812	3.472	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1	ZINC000832885873	602318087	/nfs/dbraw/zinc/31/80/87/602318087.db2.gz	NNAXPEBMRVZZQT-UHFFFAOYSA-N	-2	1	399.812	3.125	20	5		GGBDML
Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)c2C)o1	ZINC000157374473	1423997128	/nfs/dbraw/zinc/99/71/28/1423997128.db2.gz	SUUGBCUOHNMQIM-UHFFFAOYSA-N	-2	1	392.393	3.010	20	5		GGBDML
O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000738184367	1427317348	/nfs/dbraw/zinc/31/73/48/1427317348.db2.gz	PMIBJDSOPZZPGO-UHFFFAOYSA-N	-2	1	391.347	3.148	20	5		GGBDML
O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000738184367	1427317354	/nfs/dbraw/zinc/31/73/54/1427317354.db2.gz	PMIBJDSOPZZPGO-UHFFFAOYSA-N	-2	1	391.347	3.148	20	5		GGBDML
CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-]	ZINC000818430534	969187874	/nfs/dbraw/zinc/18/78/74/969187874.db2.gz	KNVRBTQDSYKNDU-UHFFFAOYSA-N	-2	1	399.252	3.071	20	5		GGBDML
CCCCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-]	ZINC001595688054	982181872	/nfs/dbraw/zinc/18/18/72/982181872.db2.gz	WIYNWGBIHLVONO-SNVBAGLBSA-N	-2	1	399.252	3.213	20	5		GGBDML
CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC001595008241	982927861	/nfs/dbraw/zinc/92/78/61/982927861.db2.gz	MAVRPULLPXKCIJ-LLVKDONJSA-N	-2	1	394.405	3.271	20	5		GGBDML
O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000323834428	565615634	/nfs/dbraw/zinc/61/56/34/565615634.db2.gz	AESAWQINQKHDJM-UHFFFAOYSA-N	-2	1	391.188	3.401	20	5		GGBDML
Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000326400942	565623853	/nfs/dbraw/zinc/62/38/53/565623853.db2.gz	NJGGHJFECUHNBX-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447343525	566405743	/nfs/dbraw/zinc/40/57/43/566405743.db2.gz	NUJPLFRMKHESLU-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000484802057	566456193	/nfs/dbraw/zinc/45/61/93/566456193.db2.gz	HITYMQGAMRRANC-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)ccc1[O-]	ZINC000604116907	566554113	/nfs/dbraw/zinc/55/41/13/566554113.db2.gz	HMPGZXIZPRXLHT-UHFFFAOYSA-N	-2	1	377.403	3.225	20	5		GGBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738655352	599927005	/nfs/dbraw/zinc/92/70/05/599927005.db2.gz	RKHPZGYSXVQITM-UHFFFAOYSA-N	-2	1	396.446	3.022	20	5		GGBDML
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000739666262	599981331	/nfs/dbraw/zinc/98/13/31/599981331.db2.gz	KOQXIGQFLARBMY-CYBMUJFWSA-N	-2	1	398.824	3.133	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1	ZINC000832905475	601475393	/nfs/dbraw/zinc/47/53/93/601475393.db2.gz	NYBZQSAPPOPLKK-UHFFFAOYSA-N	-2	1	383.357	3.241	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1	ZINC000832905424	601475416	/nfs/dbraw/zinc/47/54/16/601475416.db2.gz	JYVWDYSWLDOZQX-UHFFFAOYSA-N	-2	1	379.394	3.127	20	5		GGBDML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000110276218	1411842291	/nfs/dbraw/zinc/84/22/91/1411842291.db2.gz	RQEXMKPLMUEGOQ-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1	ZINC000157304944	1423979614	/nfs/dbraw/zinc/97/96/14/1423979614.db2.gz	GRHCVCPFAKRRCP-UHFFFAOYSA-N	-2	1	389.389	3.428	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1[O-]	ZINC000175972957	1428005944	/nfs/dbraw/zinc/00/59/44/1428005944.db2.gz	UAUWEXIKQNJJND-UHFFFAOYSA-N	-2	1	375.362	3.120	20	5		GGBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000541804122	974413231	/nfs/dbraw/zinc/41/32/31/974413231.db2.gz	BAXYYLHKTZEEHJ-GFCCVEGCSA-N	-2	1	392.433	3.221	20	5		GGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1	ZINC000543664806	974418415	/nfs/dbraw/zinc/41/84/15/974418415.db2.gz	UCLRNSHWYFGDOP-UHFFFAOYSA-N	-2	1	392.433	3.375	20	5		GGBDML
CCc1[nH]nc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)[O-])c1[N+](=O)[O-]	ZINC001597400040	987660378	/nfs/dbraw/zinc/66/03/78/987660378.db2.gz	RNUYROGHVIUUKS-UHFFFAOYSA-N	-2	1	398.828	3.353	20	5		GGBDML
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447341242	566405620	/nfs/dbraw/zinc/40/56/20/566405620.db2.gz	OBRSCDCKHZHZTI-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000538753289	566533394	/nfs/dbraw/zinc/53/33/94/566533394.db2.gz	DVGRYSGZKIUZOA-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)ccc1[O-]	ZINC000603780006	566540447	/nfs/dbraw/zinc/54/04/47/566540447.db2.gz	RSTQFEXWZFSSCK-UHFFFAOYSA-N	-2	1	377.403	3.225	20	5		GGBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000476246659	567307837	/nfs/dbraw/zinc/30/78/37/567307837.db2.gz	MEMMUWANIGUHSV-UHFFFAOYSA-N	-2	1	384.797	3.364	20	5		GGBDML
Cc1sc(S(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548548374	567327401	/nfs/dbraw/zinc/32/74/01/567327401.db2.gz	LBSGJLQMUPWECI-UHFFFAOYSA-N	-2	1	390.826	3.426	20	5		GGBDML
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000547874155	599979398	/nfs/dbraw/zinc/97/93/98/599979398.db2.gz	PNIABQBRLLNTJT-ZDUSSCGKSA-N	-2	1	398.824	3.133	20	5		GGBDML
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000736232176	600899389	/nfs/dbraw/zinc/89/93/89/600899389.db2.gz	HVNVCUKIXMLADT-UHFFFAOYSA-N	-2	1	398.824	3.411	20	5		GGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1	ZINC000832905450	601475266	/nfs/dbraw/zinc/47/52/66/601475266.db2.gz	LXUBQYGRGCZKDL-UHFFFAOYSA-N	-2	1	393.421	3.122	20	5		GGBDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc(F)c1F	ZINC000751141115	601830736	/nfs/dbraw/zinc/83/07/36/601830736.db2.gz	ANJLKUBDZMKBLO-UHFFFAOYSA-N	-2	1	392.723	3.025	20	5		GGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1	ZINC000832885955	602315744	/nfs/dbraw/zinc/31/57/44/602315744.db2.gz	UCCMYIQIKNCGQS-UHFFFAOYSA-N	-2	1	385.785	3.447	20	5		GGBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000833751142	604538970	/nfs/dbraw/zinc/53/89/70/604538970.db2.gz	PKFCLNOKOJMQOI-UHFFFAOYSA-N	-2	1	396.446	3.271	20	5		GGBDML
CC(=O)c1cc(F)c([N-]C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1F	ZINC000833401533	604789527	/nfs/dbraw/zinc/78/95/27/604789527.db2.gz	WFAPRISZVFEHJY-UHFFFAOYSA-N	-2	1	382.250	3.165	20	5		GGBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(F)c1	ZINC000833744670	605265358	/nfs/dbraw/zinc/26/53/58/605265358.db2.gz	HDHYLUNSQZTPML-UHFFFAOYSA-N	-2	1	387.320	3.072	20	5		GGBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1	ZINC000833744888	605289095	/nfs/dbraw/zinc/28/90/95/605289095.db2.gz	LEIFNGZUMMGGBX-UHFFFAOYSA-N	-2	1	387.320	3.072	20	5		GGBDML