smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000014232233	559160953	/nfs/dbraw/zinc/16/09/53/559160953.db2.gz	CSQRURZGOXQUFQ-CQSZACIVSA-N	-1	1	414.483	3.903	50	5		HHBAMM
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[n-]c(=S)[nH]c2N1	ZINC000005072698	559241701	/nfs/dbraw/zinc/24/17/01/559241701.db2.gz	DQRRZAUFTDXKCE-CYBMUJFWSA-N	-1	1	402.432	3.536	50	5		HHBAMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1C	ZINC000024432688	560809212	/nfs/dbraw/zinc/80/92/12/560809212.db2.gz	KXDMLKDBPMVURI-UHFFFAOYSA-N	-1	1	405.476	3.997	50	5		HHBAMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000000851579	568711932	/nfs/dbraw/zinc/71/19/32/568711932.db2.gz	HRBHRZUMWKOPFI-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2sc(=O)oc2c(Cl)c1	ZINC000004281863	568959142	/nfs/dbraw/zinc/95/91/42/568959142.db2.gz	CTNZOZMDXMIUPL-UHFFFAOYSA-N	-1	1	400.821	3.525	50	5		HHBAMM
Cc1ccc([N-]c2nc3nonc3nc2Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000006244735	569034503	/nfs/dbraw/zinc/03/45/03/569034503.db2.gz	YPWPFCFFAFHSEI-UHFFFAOYSA-N	-1	1	422.361	3.933	50	5		HHBAMM
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000006670075	569084512	/nfs/dbraw/zinc/08/45/12/569084512.db2.gz	JXRGARGTBKEVDN-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1cccc(C)c1	ZINC000009234986	569391937	/nfs/dbraw/zinc/39/19/37/569391937.db2.gz	RRDYPIQRPRLBDM-CSKARUKUSA-N	-1	1	423.425	3.840	50	5		HHBAMM
O=c1[nH]c(C=Cc2cn(CCOc3ccccc3)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000009234838	569392011	/nfs/dbraw/zinc/39/20/11/569392011.db2.gz	OVCMNUHOFVUXMI-ZHACJKMWSA-N	-1	1	418.409	3.588	50	5		HHBAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000009635649	569393761	/nfs/dbraw/zinc/39/37/61/569393761.db2.gz	KSZLHBRAGZZYBM-UHFFFAOYSA-N	-1	1	416.846	3.729	50	5		HHBAMM
COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2o1	ZINC000069420855	571227975	/nfs/dbraw/zinc/22/79/75/571227975.db2.gz	IKAPOPUBFSCJBQ-UHFFFAOYSA-N	-1	1	424.818	3.890	50	5		HHBAMM
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1cc(Cl)ccc1[O-]	ZINC000003154363	132262846	/nfs/dbraw/zinc/26/28/46/132262846.db2.gz	JVVJRYOIMNXOGG-UHFFFAOYSA-N	-1	1	413.729	3.816	50	5		HHBAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000004597352	558833901	/nfs/dbraw/zinc/83/39/01/558833901.db2.gz	YQLRHSKPOPNTJI-CQSZACIVSA-N	-1	1	416.459	3.595	50	5		HHBAMM
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000005429421	560586493	/nfs/dbraw/zinc/58/64/93/560586493.db2.gz	RHJFLIHVPARTSE-CQSZACIVSA-N	-1	1	413.426	3.861	50	5		HHBAMM
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000005429421	560586495	/nfs/dbraw/zinc/58/64/95/560586495.db2.gz	RHJFLIHVPARTSE-CQSZACIVSA-N	-1	1	413.426	3.861	50	5		HHBAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1OC	ZINC000005372520	560574392	/nfs/dbraw/zinc/57/43/92/560574392.db2.gz	ZMJFTKVNEHQYNK-UHFFFAOYSA-N	-1	1	404.766	3.568	50	5		HHBAMM
O=c1c2c(-c3ccccc3[N+](=O)[O-])c3c([n-]c-2nn1-c1ccccc1)CCCC3=O	ZINC000018195864	560782460	/nfs/dbraw/zinc/78/24/60/560782460.db2.gz	LJDXILVUFVSWBK-UHFFFAOYSA-N	-1	1	400.394	3.808	50	5		HHBAMM
COc1ccc(Cc2nnc([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cc1	ZINC000002818355	568812170	/nfs/dbraw/zinc/81/21/70/568812170.db2.gz	IZJKMXVHYBXAQZ-UHFFFAOYSA-N	-1	1	404.835	3.951	50	5		HHBAMM
Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1	ZINC000031776705	568930988	/nfs/dbraw/zinc/93/09/88/568930988.db2.gz	GBAGXJRMCJXVIB-UHFFFAOYSA-N	-1	1	404.835	3.814	50	5		HHBAMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000001506871	569006805	/nfs/dbraw/zinc/00/68/05/569006805.db2.gz	GEHKCVSXXHPWPL-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-]	ZINC000036394440	569168872	/nfs/dbraw/zinc/16/88/72/569168872.db2.gz	GTDYOWXDADHAAV-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1	ZINC000030530243	568869994	/nfs/dbraw/zinc/86/99/94/568869994.db2.gz	YOFOSTFFRMUAJW-UHFFFAOYSA-N	-1	1	404.473	3.589	50	5		HHBAMM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21	ZINC000004013070	568933415	/nfs/dbraw/zinc/93/34/15/568933415.db2.gz	RCOQXAPQYJMRLK-UHFFFAOYSA-N	-1	1	418.427	3.935	50	5		HHBAMM
CCCC[C@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000004603640	558847208	/nfs/dbraw/zinc/84/72/08/558847208.db2.gz	GVMYTNRWXPBXAH-JXFKEZNVSA-N	-1	1	413.474	3.513	50	5		HHBAMM
Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000013644288	558849137	/nfs/dbraw/zinc/84/91/37/558849137.db2.gz	CHMHAQYWFJATJK-UHFFFAOYSA-N	-1	1	410.455	3.693	50	5		HHBAMM
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc2c1OCO2	ZINC000409415565	559251278	/nfs/dbraw/zinc/25/12/78/559251278.db2.gz	PSCKBAZTSWNZPW-UHFFFAOYSA-N	-1	1	405.366	3.683	50	5		HHBAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1	ZINC000005842007	568825538	/nfs/dbraw/zinc/82/55/38/568825538.db2.gz	HKGDNZKAFPQEFR-UHFFFAOYSA-N	-1	1	415.427	3.858	50	5		HHBAMM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1	ZINC000012771894	568952205	/nfs/dbraw/zinc/95/22/05/568952205.db2.gz	OZPWNIIGEVGFMV-UHFFFAOYSA-N	-1	1	419.503	3.848	50	5		HHBAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000013576730	569256231	/nfs/dbraw/zinc/25/62/31/569256231.db2.gz	UUJHBZLJJCVOOC-CXUHLZMHSA-N	-1	1	414.395	3.537	50	5		HHBAMM
O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000010728220	132346411	/nfs/dbraw/zinc/34/64/11/132346411.db2.gz	OBZOQNQXMQNNMB-UHFFFAOYSA-N	-1	1	424.409	3.754	50	5		HHBAMM
CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000004603633	558847224	/nfs/dbraw/zinc/84/72/24/558847224.db2.gz	GVMYTNRWXPBXAH-OXQOHEQNSA-N	-1	1	413.474	3.513	50	5		HHBAMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000000912861	568749978	/nfs/dbraw/zinc/74/99/78/568749978.db2.gz	BFXOLCSVPUZNHY-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
CCCCCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(=O)c2ccccc21	ZINC000006472317	569058158	/nfs/dbraw/zinc/05/81/58/569058158.db2.gz	MAYJDFNLWBQCCP-UHFFFAOYSA-N	-1	1	411.414	3.763	50	5		HHBAMM
CCCCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c([O-])c2ccccc21	ZINC000006472317	569058159	/nfs/dbraw/zinc/05/81/59/569058159.db2.gz	MAYJDFNLWBQCCP-UHFFFAOYSA-N	-1	1	411.414	3.763	50	5		HHBAMM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000245326372	571224486	/nfs/dbraw/zinc/22/44/86/571224486.db2.gz	JPDBFJJDYVWNIZ-PGRDOPGGSA-N	-1	1	422.441	3.644	50	5		HHBAMM
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000001196539	568822676	/nfs/dbraw/zinc/82/26/76/568822676.db2.gz	UXYLNJFSLIVBTJ-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O	ZINC000012604586	568870849	/nfs/dbraw/zinc/87/08/49/568870849.db2.gz	RZJKJOLRFRJWGL-UHFFFAOYSA-N	-1	1	423.878	3.793	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000015746257	568986483	/nfs/dbraw/zinc/98/64/83/568986483.db2.gz	LOLJLGYVCNXSIU-ZSOIEALJSA-N	-1	1	422.465	3.692	50	5		HHBAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)n1	ZINC000089626792	569261309	/nfs/dbraw/zinc/26/13/09/569261309.db2.gz	AFMVYNQHKUGPBW-UHFFFAOYSA-N	-1	1	406.645	3.515	50	5		HHBAMM
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000032930132	525240286	/nfs/dbraw/zinc/24/02/86/525240286.db2.gz	JIBMYHUZRKTJNO-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1ccc(C(=O)Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000004973911	559221400	/nfs/dbraw/zinc/22/14/00/559221400.db2.gz	CSEZRCITMPGSFX-UHFFFAOYSA-N	-1	1	412.423	3.923	50	5		HHBAMM
Cc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-]	ZINC000032930125	524220214	/nfs/dbraw/zinc/22/02/14/524220214.db2.gz	YWZVHVATIIIOFX-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1cccc2c([O-])c3c(=O)cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc-3oc12	ZINC000005425350	560585131	/nfs/dbraw/zinc/58/51/31/560585131.db2.gz	ZKTDWPOVMYLALE-GFCCVEGCSA-N	-1	1	413.426	3.779	50	5		HHBAMM
Cc1cccc2c(=O)c3c([O-])cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc3oc12	ZINC000005425350	560585132	/nfs/dbraw/zinc/58/51/32/560585132.db2.gz	ZKTDWPOVMYLALE-GFCCVEGCSA-N	-1	1	413.426	3.779	50	5		HHBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(COCC(F)(F)C(F)F)cc2)c1	ZINC000015231415	568820984	/nfs/dbraw/zinc/82/09/84/568820984.db2.gz	PKDPLSJTUVEFDJ-UHFFFAOYSA-N	-1	1	422.356	3.813	50	5		HHBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc3c(c2c1)C(=O)CCC3	ZINC000004149956	568946739	/nfs/dbraw/zinc/94/67/39/568946739.db2.gz	CAACACFNSLYFKT-UHFFFAOYSA-N	-1	1	400.412	3.969	50	5		HHBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C	ZINC000050534785	559187290	/nfs/dbraw/zinc/18/72/90/559187290.db2.gz	YGHQISFFYXTNJL-UHFFFAOYSA-N	-1	1	407.517	3.566	50	5		HHBAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000001165466	568775713	/nfs/dbraw/zinc/77/57/13/568775713.db2.gz	DBDNBQNIOQGXTL-UHFFFAOYSA-N	-1	1	416.846	3.729	50	5		HHBAMM
CC(=O)Cc1nsc([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1	ZINC000001881383	569056869	/nfs/dbraw/zinc/05/68/69/569056869.db2.gz	YGDBJCPOFXUIJV-UHFFFAOYSA-N	-1	1	406.807	3.744	50	5		HHBAMM
CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000245326896	571224489	/nfs/dbraw/zinc/22/44/89/571224489.db2.gz	MZVZMHPMTUOEQK-PGRDOPGGSA-N	-1	1	422.441	3.642	50	5		HHBAMM
COc1ccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1	ZINC000001146407	568772538	/nfs/dbraw/zinc/77/25/38/568772538.db2.gz	LFCOBSXYYWDBOY-UHFFFAOYSA-N	-1	1	404.835	3.951	50	5		HHBAMM
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000004258197	568954588	/nfs/dbraw/zinc/95/45/88/568954588.db2.gz	ISEAWJBYBCSFAT-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)nn1	ZINC000004270380	568956633	/nfs/dbraw/zinc/95/66/33/568956633.db2.gz	IHZFFOGHBOBQRT-UHFFFAOYSA-N	-1	1	414.443	3.560	50	5		HHBAMM
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])c2c(=O)[n-]c(=S)[nH]c2N1	ZINC000028294207	568784064	/nfs/dbraw/zinc/78/40/64/568784064.db2.gz	LDAHILFDOQGGBY-ZDUSSCGKSA-N	-1	1	402.432	3.536	50	5		HHBAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c1	ZINC000003832697	568927139	/nfs/dbraw/zinc/92/71/39/568927139.db2.gz	XBIWYYCQKIMEBZ-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000004426620	558544199	/nfs/dbraw/zinc/54/41/99/558544199.db2.gz	UUJHBZLJJCVOOC-SXGWCWSVSA-N	-1	1	414.395	3.537	50	5		HHBAMM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000014921424	568455484	/nfs/dbraw/zinc/45/54/84/568455484.db2.gz	PCEXWOSXGHWVTM-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000000825803	568497984	/nfs/dbraw/zinc/49/79/84/568497984.db2.gz	AAPQOEXCOUBDMR-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
CC(C)Cn1c2ccccc2nc1SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000006417137	569046994	/nfs/dbraw/zinc/04/69/94/569046994.db2.gz	UFBYIZQQYSFBLE-UHFFFAOYSA-N	-1	1	412.471	3.649	50	5		HHBAMM
Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)oc1-c1ccc(Cl)cc1	ZINC000079092376	569396686	/nfs/dbraw/zinc/39/66/86/569396686.db2.gz	KINOJQPUMKMVDX-UHFFFAOYSA-N	-1	1	421.862	3.999	50	5		HHBAMM
COc1ccc(-c2nc([O-])c(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)cc1	ZINC000009633173	571274963	/nfs/dbraw/zinc/27/49/63/571274963.db2.gz	AWXPDAJPFHRIHK-OAHLLOKOSA-N	-1	1	419.846	3.674	50	5		HHBAMM
Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(SCCC(=O)[O-])c1	ZINC000095941737	568662361	/nfs/dbraw/zinc/66/23/61/568662361.db2.gz	GVZJYPSDMPBXRD-UHFFFAOYSA-N	-1	1	410.473	3.579	50	5		HHBAMM
CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1	ZINC000225835279	568782860	/nfs/dbraw/zinc/78/28/60/568782860.db2.gz	MQZPRWDQPBXLIA-ZDUSSCGKSA-N	-1	1	405.259	3.568	50	5		HHBAMM
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc(OC)c1OC	ZINC000263586233	568878850	/nfs/dbraw/zinc/87/88/50/568878850.db2.gz	ROVRLGVYNKPCLA-UHFFFAOYSA-N	-1	1	421.409	3.972	50	5		HHBAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013122871	569211298	/nfs/dbraw/zinc/21/12/98/569211298.db2.gz	NICKPKJTMSTIRI-CHHVJCJISA-N	-1	1	417.355	3.628	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000027531619	569366839	/nfs/dbraw/zinc/36/68/39/569366839.db2.gz	YWXOPSPBBBUBRO-UKTHLTGXSA-N	-1	1	422.465	3.692	50	5		HHBAMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1	ZINC000009010302	569391178	/nfs/dbraw/zinc/39/11/78/569391178.db2.gz	LRPPXDOFZGENPZ-LUAWRHEFSA-N	-1	1	409.398	3.532	50	5		HHBAMM
Cc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc2n1Cc1ccccc1	ZINC000009295537	571245809	/nfs/dbraw/zinc/24/58/09/571245809.db2.gz	QKWXRQNTBMFREY-VAWYXSNFSA-N	-1	1	402.410	3.866	50	5		HHBAMM
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000032930134	525244339	/nfs/dbraw/zinc/24/43/39/525244339.db2.gz	VASDAZDKKIMLKM-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032930119	527294805	/nfs/dbraw/zinc/29/48/05/527294805.db2.gz	QHIJMHDLMOCGGW-UHFFFAOYSA-N	-1	1	411.439	3.577	50	5		HHBAMM
CCc1n[n-]c(=S)n1CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000072304260	558757092	/nfs/dbraw/zinc/75/70/92/558757092.db2.gz	UBGNWGOJCLKVMA-UHFFFAOYSA-N	-1	1	421.866	3.755	50	5		HHBAMM
CCCCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c([O-])c2ccccc21	ZINC000100502068	559209996	/nfs/dbraw/zinc/20/99/96/559209996.db2.gz	XLNQEBVXSISHDL-UHFFFAOYSA-N	-1	1	411.414	3.763	50	5		HHBAMM
CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000005429419	560586522	/nfs/dbraw/zinc/58/65/22/560586522.db2.gz	RHJFLIHVPARTSE-AWEZNQCLSA-N	-1	1	413.426	3.861	50	5		HHBAMM
CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000005429419	560586524	/nfs/dbraw/zinc/58/65/24/560586524.db2.gz	RHJFLIHVPARTSE-AWEZNQCLSA-N	-1	1	413.426	3.861	50	5		HHBAMM
COc1cc(C(=O)[N-]c2nnc(CCc3ccccc3)s2)c([N+](=O)[O-])cc1OC	ZINC000001113789	568770549	/nfs/dbraw/zinc/77/05/49/568770549.db2.gz	DONAJFIRILPGQJ-UHFFFAOYSA-N	-1	1	414.443	3.501	50	5		HHBAMM
CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000007108153	569221338	/nfs/dbraw/zinc/22/13/38/569221338.db2.gz	VQKVUXMXWPESEE-UHFFFAOYSA-N	-1	1	418.833	3.659	50	5		HHBAMM
O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000008774502	571117871	/nfs/dbraw/zinc/11/78/71/571117871.db2.gz	XKZKTHHNPBZLRU-UHFFFAOYSA-N	-1	1	407.407	3.917	50	5		HHBAMM
CCOc1ccc2nc(SCC(=O)[N-]C(=O)c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000013134603	558520744	/nfs/dbraw/zinc/52/07/44/558520744.db2.gz	OLGUOHNOJNYAQW-UHFFFAOYSA-N	-1	1	417.468	3.652	50	5		HHBAMM
O=c1c2ccccc2c2c([O-])nc(-c3cccc([N+](=O)[O-])c3)n2n1Cc1ccccc1	ZINC000102931293	560835599	/nfs/dbraw/zinc/83/55/99/560835599.db2.gz	TVCBFSRBIDZFMW-UHFFFAOYSA-N	-1	1	412.405	3.978	50	5		HHBAMM
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])c2c(=O)[n-]c(=S)[nH]c2N1	ZINC000028294205	568784086	/nfs/dbraw/zinc/78/40/86/568784086.db2.gz	LDAHILFDOQGGBY-CYBMUJFWSA-N	-1	1	402.432	3.536	50	5		HHBAMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003208904	568861502	/nfs/dbraw/zinc/86/15/02/568861502.db2.gz	NICKPKJTMSTIRI-VIZOYTHASA-N	-1	1	417.355	3.628	50	5		HHBAMM
COc1cc(OC)c(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc1OC	ZINC000263585015	568878461	/nfs/dbraw/zinc/87/84/61/568878461.db2.gz	DFLYOGVPONFZGC-UHFFFAOYSA-N	-1	1	421.409	3.972	50	5		HHBAMM
COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21	ZINC000004148306	568916663	/nfs/dbraw/zinc/91/66/63/568916663.db2.gz	FABQQKKIGCAGLX-UHFFFAOYSA-N	-1	1	404.400	3.545	50	5		HHBAMM
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NCCO	ZINC000012787857	568960512	/nfs/dbraw/zinc/96/05/12/568960512.db2.gz	ZRGXWENPZMCPAJ-UHFFFAOYSA-N	-1	1	421.519	3.714	50	5		HHBAMM
O=c1[nH]c(C=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)nc([O-])c1[N+](=O)[O-]	ZINC000009235091	569391945	/nfs/dbraw/zinc/39/19/45/569391945.db2.gz	DHVAXHGERCPMGO-DAFODLJHSA-N	-1	1	409.442	3.728	50	5		HHBAMM
CC(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000245326894	571224543	/nfs/dbraw/zinc/22/45/43/571224543.db2.gz	MZVZMHPMTUOEQK-AVRDEDQJSA-N	-1	1	422.441	3.642	50	5		HHBAMM
CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1	ZINC000225835260	568782863	/nfs/dbraw/zinc/78/28/63/568782863.db2.gz	MQZPRWDQPBXLIA-CYBMUJFWSA-N	-1	1	405.259	3.568	50	5		HHBAMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1	ZINC000012557347	568856473	/nfs/dbraw/zinc/85/64/73/568856473.db2.gz	PWNRJQTYCNLUPJ-UHFFFAOYSA-N	-1	1	409.442	3.610	50	5		HHBAMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000006362296	569045922	/nfs/dbraw/zinc/04/59/22/569045922.db2.gz	BBSYDNSSZBOLCM-UHFFFAOYSA-N	-1	1	411.439	3.577	50	5		HHBAMM
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000013305307	569410594	/nfs/dbraw/zinc/41/05/94/569410594.db2.gz	MKAOVJCSKHJDCJ-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
Cc1ccc(Cn2cc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)c3ccccc32)cc1	ZINC000009010322	569391168	/nfs/dbraw/zinc/39/11/68/569391168.db2.gz	OPRCLVAGJZMTTC-ZHACJKMWSA-N	-1	1	402.410	3.866	50	5		HHBAMM
CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003195970	568861075	/nfs/dbraw/zinc/86/10/75/568861075.db2.gz	XATLLVLFZIJVAH-UHFFFAOYSA-N	-1	1	421.387	3.505	50	5		HHBAMM
O=[N+]([O-])c1cc(I)cc(-c2nnc(-c3ccccc3[O-])o2)c1	ZINC000001071837	568765620	/nfs/dbraw/zinc/76/56/20/568765620.db2.gz	MTMCXQDBTYMLQT-UHFFFAOYSA-N	-1	1	409.139	3.622	50	5		HHBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CCC4)cc1[N+](=O)[O-]	ZINC000004149958	568946804	/nfs/dbraw/zinc/94/68/04/568946804.db2.gz	IAUBUKGZDDAAIO-UHFFFAOYSA-N	-1	1	400.412	3.969	50	5		HHBAMM
Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2n1	ZINC000009572171	571269044	/nfs/dbraw/zinc/26/90/44/571269044.db2.gz	NFSNDNJBPRNLMP-UHFFFAOYSA-N	-1	1	423.454	3.722	50	5		HHBAMM
CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000004603637	558847184	/nfs/dbraw/zinc/84/71/84/558847184.db2.gz	GVMYTNRWXPBXAH-UZLBHIALSA-N	-1	1	413.474	3.513	50	5		HHBAMM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000002864711	568813449	/nfs/dbraw/zinc/81/34/49/568813449.db2.gz	DEZYPEHKTUSNJB-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(C)=O)c3c2)cc1[N+](=O)[O-]	ZINC000004148322	568946086	/nfs/dbraw/zinc/94/60/86/568946086.db2.gz	LWHASFOGDONDMB-UHFFFAOYSA-N	-1	1	404.400	3.661	50	5		HHBAMM
CCCC[C@H](CC)CNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1ccccc1=O	ZINC000004603634	558847136	/nfs/dbraw/zinc/84/71/36/558847136.db2.gz	GVMYTNRWXPBXAH-OXJNMPFZSA-N	-1	1	413.474	3.513	50	5		HHBAMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000001196492	568822726	/nfs/dbraw/zinc/82/27/26/568822726.db2.gz	CLTOCKBOKYYFOW-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1n[n-]c(C(F)(F)F)n1	ZINC000013656640	558850536	/nfs/dbraw/zinc/85/05/36/558850536.db2.gz	VMGMYZKRAXHYGD-UHFFFAOYSA-N	-1	1	403.220	3.810	50	5		HHBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-]	ZINC000028791185	568807738	/nfs/dbraw/zinc/80/77/38/568807738.db2.gz	VWKWUGVJAHDWNL-UHFFFAOYSA-N	-1	1	420.443	3.836	50	5		HHBAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001196665	568822612	/nfs/dbraw/zinc/82/26/12/568822612.db2.gz	ZNMHVIJFFWMDRY-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
O=C([N-]c1cc(Cl)ccc1[N+](=O)[O-])c1cc2c(nc3ccccn3c2=O)s1	ZINC000006865104	569158758	/nfs/dbraw/zinc/15/87/58/569158758.db2.gz	PXQMGLLKZSPYPR-UHFFFAOYSA-N	-1	1	400.803	3.723	50	5		HHBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)cc1[N+](=O)[O-]	ZINC000009511947	571264147	/nfs/dbraw/zinc/26/41/47/571264147.db2.gz	IAMWNGIZSRFAKW-UHFFFAOYSA-N	-1	1	411.486	3.736	50	5		HHBAMM
COc1ccc(-c2nc([O-])c(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)cc1	ZINC000009633172	571275012	/nfs/dbraw/zinc/27/50/12/571275012.db2.gz	AWXPDAJPFHRIHK-HNNXBMFYSA-N	-1	1	419.846	3.674	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013898407	558937815	/nfs/dbraw/zinc/93/78/15/558937815.db2.gz	ZASGFBMVJZMFGS-LCYFTJDESA-N	-1	1	422.465	3.692	50	5		HHBAMM
Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	ZINC000004757052	559048707	/nfs/dbraw/zinc/04/87/07/559048707.db2.gz	COWQIXXWFOFXOV-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000000754876	568471861	/nfs/dbraw/zinc/47/18/61/568471861.db2.gz	UHUATJNUORCTRS-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc(OC)c1O	ZINC000263586012	568878905	/nfs/dbraw/zinc/87/89/05/568878905.db2.gz	OXQVKFSQUHGOGS-UHFFFAOYSA-N	-1	1	407.382	3.669	50	5		HHBAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000651618	568457652	/nfs/dbraw/zinc/45/76/52/568457652.db2.gz	YSIUQPZMSMGDOM-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000016115465	569029017	/nfs/dbraw/zinc/02/90/17/569029017.db2.gz	FMWWNJRTAJZRKC-UHFFFAOYSA-N	-1	1	415.402	3.787	50	5		HHBAMM
CCCCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000006623367	569075096	/nfs/dbraw/zinc/07/50/96/569075096.db2.gz	OREOWWASHWDKAQ-UHFFFAOYSA-N	-1	1	406.464	3.626	50	5		HHBAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)OC(C)C)=C(C)N2	ZINC000018165061	560780405	/nfs/dbraw/zinc/78/04/05/560780405.db2.gz	YQLRHSKPOPNTJI-AWEZNQCLSA-N	-1	1	416.459	3.595	50	5		HHBAMM
O=c1c2c[nH]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1	ZINC000003014423	568838336	/nfs/dbraw/zinc/83/83/36/568838336.db2.gz	KCQMEVOBIWUESY-UHFFFAOYSA-N	-1	1	413.846	3.963	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000015746227	568986503	/nfs/dbraw/zinc/98/65/03/568986503.db2.gz	VGHZHVJSUJMLRU-ZROIWOOFSA-N	-1	1	422.465	3.692	50	5		HHBAMM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000245326369	571224491	/nfs/dbraw/zinc/22/44/91/571224491.db2.gz	JPDBFJJDYVWNIZ-AVRDEDQJSA-N	-1	1	422.441	3.644	50	5		HHBAMM
O=Cc1ccc(Sc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c([N+](=O)[O-])c1	ZINC000009237736	571240614	/nfs/dbraw/zinc/24/06/14/571240614.db2.gz	UNQSECYZSZUFLF-UHFFFAOYSA-N	-1	1	421.232	3.812	50	5		HHBAMM
O=c1[nH]c(C=Cc2cccc(OCc3c(F)cccc3Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009295545	571245904	/nfs/dbraw/zinc/24/59/04/571245904.db2.gz	ZGVKGMPHVWLVNR-BQYQJAHWSA-N	-1	1	417.780	3.926	50	5		HHBAMM
CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)[n-]c(=S)[nH]c2N1	ZINC000003201617	568861423	/nfs/dbraw/zinc/86/14/23/568861423.db2.gz	DQRRZAUFTDXKCE-ZDUSSCGKSA-N	-1	1	402.432	3.536	50	5		HHBAMM
COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21	ZINC000004148293	568946215	/nfs/dbraw/zinc/94/62/15/568946215.db2.gz	UEDBOLOODYHSCY-UHFFFAOYSA-N	-1	1	404.400	3.545	50	5		HHBAMM
COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc([O-])cc(=O)c23)cc2c1OCCO2	ZINC000524729306	569051585	/nfs/dbraw/zinc/05/15/85/569051585.db2.gz	NHUFARATJFCFSM-UHFFFAOYSA-N	-1	1	419.393	3.726	50	5		HHBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000004757085	559048717	/nfs/dbraw/zinc/04/87/17/559048717.db2.gz	FTADBTFDUJDCAC-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000095453633	568615919	/nfs/dbraw/zinc/61/59/19/568615919.db2.gz	KUYWRLDMCOWALY-UHFFFAOYSA-N	-1	1	400.338	3.599	50	5		HHBAMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000095453634	568615949	/nfs/dbraw/zinc/61/59/49/568615949.db2.gz	LYOCQZMWNBJBJX-UHFFFAOYSA-N	-1	1	400.338	3.599	50	5		HHBAMM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000014232236	558640243	/nfs/dbraw/zinc/64/02/43/558640243.db2.gz	CSQRURZGOXQUFQ-AWEZNQCLSA-N	-1	1	414.483	3.903	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000013894050	558891251	/nfs/dbraw/zinc/89/12/51/558891251.db2.gz	YWXOPSPBBBUBRO-LCYFTJDESA-N	-1	1	422.465	3.692	50	5		HHBAMM
COc1cccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)c1	ZINC000021112434	568668183	/nfs/dbraw/zinc/66/81/83/568668183.db2.gz	LIGOROUOZPUFLX-DHZHZOJOSA-N	-1	1	415.427	3.871	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000015746265	568986515	/nfs/dbraw/zinc/98/65/15/568986515.db2.gz	CAHPKBHTEBUALI-ZSOIEALJSA-N	-1	1	422.465	3.692	50	5		HHBAMM
COCc1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000328593648	569415531	/nfs/dbraw/zinc/41/55/31/569415531.db2.gz	SIPQIXFCOIVEBN-UHFFFAOYSA-N	-1	1	405.259	3.527	50	5		HHBAMM
Cc1cc(=O)[n-]c(Sc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2)n1	ZINC000013844220	558886030	/nfs/dbraw/zinc/88/60/30/558886030.db2.gz	WRPQPMXLQQQBBG-UHFFFAOYSA-N	-1	1	406.423	3.646	50	5		HHBAMM
O=C(c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1[O-])C2=O)c1cccc([N+](=O)[O-])c1	ZINC000001170439	568818657	/nfs/dbraw/zinc/81/86/57/568818657.db2.gz	FWJVMLVINGZCCY-UHFFFAOYSA-N	-1	1	422.780	3.985	50	5		HHBAMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000003832690	568927095	/nfs/dbraw/zinc/92/70/95/568927095.db2.gz	XBAVQNDBEIRWAR-UHFFFAOYSA-N	-1	1	411.439	3.956	50	5		HHBAMM
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21	ZINC000004149949	568946679	/nfs/dbraw/zinc/94/66/79/568946679.db2.gz	HAZDHYPHEHHPHT-UHFFFAOYSA-N	-1	1	418.427	3.935	50	5		HHBAMM
O=C1[N-]C(=S)SC1=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000015746222	568986518	/nfs/dbraw/zinc/98/65/18/568986518.db2.gz	TVWOUFYHNYUAJA-ZROIWOOFSA-N	-1	1	422.465	3.692	50	5		HHBAMM