smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3[O-])nc2c1	ZINC000014270302	555762366	/nfs/dbraw/zinc/76/23/66/555762366.db2.gz	YRKCGXCUMJQDEI-UHFFFAOYSA-N	-1	1	462.487	4.798	40	5		JJBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1	ZINC000408602276	569969521	/nfs/dbraw/zinc/96/95/21/569969521.db2.gz	CRFKDDAWKSPLNH-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000408906639	570070955	/nfs/dbraw/zinc/07/09/55/570070955.db2.gz	CPYTVWXJTYHPNI-LZWSPWQCSA-N	-1	1	457.895	4.701	40	5		JJBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1Cl	ZINC000408559088	570199413	/nfs/dbraw/zinc/19/94/13/570199413.db2.gz	VITAHQOLHRMBDO-UHFFFAOYSA-N	-1	1	496.328	4.963	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408563801	570202412	/nfs/dbraw/zinc/20/24/12/570202412.db2.gz	QQCGDJMXXFKFLO-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408564230	570202454	/nfs/dbraw/zinc/20/24/54/570202454.db2.gz	UAHFUWCHWJCYEM-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2[O-])cc1	ZINC000026787015	556263338	/nfs/dbraw/zinc/26/33/38/556263338.db2.gz	ACLQVLYUHQOMTD-UHFFFAOYSA-N	-1	1	484.530	4.826	40	5		JJBBMM
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc([O-])c3c(c2)oc2ccccc2c3=O)CC1	ZINC000101375788	569795230	/nfs/dbraw/zinc/79/52/30/569795230.db2.gz	IOAFVJOKCOOQCZ-IYBDPMFKSA-N	-1	1	467.518	4.888	40	5		JJBBMM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccc(Cl)cc1	ZINC000408608378	569971732	/nfs/dbraw/zinc/97/17/32/569971732.db2.gz	PIIZKWSKROAMKA-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000408907784	570071303	/nfs/dbraw/zinc/07/13/03/570071303.db2.gz	RPRTYHIGDUQXIK-UHFFFAOYSA-N	-1	1	465.409	4.667	40	5		JJBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000408924568	570078210	/nfs/dbraw/zinc/07/82/10/570078210.db2.gz	KBLPLSGJXDJGNO-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000409177175	570157370	/nfs/dbraw/zinc/15/73/70/570157370.db2.gz	CUIXLUDSOIFVMY-UHFFFAOYSA-N	-1	1	459.911	4.539	40	5		JJBBMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408550727	570194980	/nfs/dbraw/zinc/19/49/80/570194980.db2.gz	GYKIOFNMFCULPU-UHFFFAOYSA-N	-1	1	475.910	4.618	40	5		JJBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(Cl)c1	ZINC000408557031	570197897	/nfs/dbraw/zinc/19/78/97/570197897.db2.gz	KMGITWPNLGFXTG-UHFFFAOYSA-N	-1	1	475.910	4.700	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1	ZINC000408584106	570207477	/nfs/dbraw/zinc/20/74/77/570207477.db2.gz	LQAJFJWLJLOONU-UHFFFAOYSA-N	-1	1	453.520	4.584	40	5		JJBBMM
Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3[O-])oc2c(C)c1	ZINC000009064872	554884182	/nfs/dbraw/zinc/88/41/82/554884182.db2.gz	CTFOETVXCVIVID-UHFFFAOYSA-N	-1	1	462.487	4.852	40	5		JJBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl	ZINC000030759055	556374472	/nfs/dbraw/zinc/37/44/72/556374472.db2.gz	KKLVLLQFSRFHBM-UHFFFAOYSA-N	-1	1	475.910	4.618	40	5		JJBBMM
O=C(Oc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409262616	570187820	/nfs/dbraw/zinc/18/78/20/570187820.db2.gz	JDBUQQVUEUUJHU-UHFFFAOYSA-N	-1	1	492.469	4.978	40	5		JJBBMM
O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000408556235	570197288	/nfs/dbraw/zinc/19/72/88/570197288.db2.gz	ZSOXYAIZGPBQKV-UHFFFAOYSA-N	-1	1	496.328	4.720	40	5		JJBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408558945	570199460	/nfs/dbraw/zinc/19/94/60/570199460.db2.gz	UPPNPAJXONDQLB-UHFFFAOYSA-N	-1	1	475.910	4.700	40	5		JJBBMM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)ccc1[N+](=O)[O-]	ZINC000408562559	570201893	/nfs/dbraw/zinc/20/18/93/570201893.db2.gz	AZYXNWPNRDDDGY-UHFFFAOYSA-N	-1	1	479.436	4.975	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c(C)c1	ZINC000014155797	555714275	/nfs/dbraw/zinc/71/42/75/555714275.db2.gz	JCNARTIUUZEADY-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1[N+](=O)[O-]	ZINC000014275046	555778924	/nfs/dbraw/zinc/77/89/24/555778924.db2.gz	GNTNFSMTTNHROQ-UHFFFAOYSA-N	-1	1	492.513	4.861	40	5		JJBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225787337	570021745	/nfs/dbraw/zinc/02/17/45/570021745.db2.gz	IRPYIAPLCQDBIL-UHFFFAOYSA-N	-1	1	489.962	4.782	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408922981	570077693	/nfs/dbraw/zinc/07/76/93/570077693.db2.gz	DELXLIGPTUNQQL-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000408526889	570186234	/nfs/dbraw/zinc/18/62/34/570186234.db2.gz	CSYVILRZCQKRHP-UHFFFAOYSA-N	-1	1	496.328	4.720	40	5		JJBBMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1	ZINC000408550053	570194869	/nfs/dbraw/zinc/19/48/69/570194869.db2.gz	AYPDFKIFHJUSRO-UHFFFAOYSA-N	-1	1	475.910	4.618	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1	ZINC000408576332	570205915	/nfs/dbraw/zinc/20/59/15/570205915.db2.gz	SJMWYRKWAJVXOP-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000021306412	195294113	/nfs/dbraw/zinc/29/41/13/195294113.db2.gz	WXZRXBMYUOAUCF-UHFFFAOYSA-N	-1	1	480.329	4.884	40	5		JJBBMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000100998840	569778851	/nfs/dbraw/zinc/77/88/51/569778851.db2.gz	UPLCSJYZDURRJX-XMGLRAKGSA-N	-1	1	481.512	4.756	40	5		JJBBMM
O=[N+]([O-])c1cccnc1Sc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1	ZINC000408603848	569970149	/nfs/dbraw/zinc/97/01/49/569970149.db2.gz	HLUHHEBNNAXQHS-UHFFFAOYSA-N	-1	1	470.308	4.857	40	5		JJBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[O-])n2)c1	ZINC000408634472	569985189	/nfs/dbraw/zinc/98/51/89/569985189.db2.gz	UZYJERGGSWOZAW-NDENLUEZSA-N	-1	1	494.485	4.875	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1	ZINC000408908626	570071549	/nfs/dbraw/zinc/07/15/49/570071549.db2.gz	WUZLRRRQNGIAOT-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408923124	570077840	/nfs/dbraw/zinc/07/78/40/570077840.db2.gz	AAVKDWZTMYEICA-UHFFFAOYSA-N	-1	1	485.587	4.884	40	5		JJBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1	ZINC000408553940	570196092	/nfs/dbraw/zinc/19/60/92/570196092.db2.gz	XNKCLKLDNVRPHS-UHFFFAOYSA-N	-1	1	475.910	4.618	40	5		JJBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810463	554690406	/nfs/dbraw/zinc/69/04/06/554690406.db2.gz	BQVKVIUYBIWVSX-UHFFFAOYSA-N	-1	1	463.874	4.749	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1	ZINC000020034795	555609492	/nfs/dbraw/zinc/60/94/92/555609492.db2.gz	NEQVESDQECHFQG-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl	ZINC000030869149	556384472	/nfs/dbraw/zinc/38/44/72/556384472.db2.gz	PJWQOCBEGYTKIU-UHFFFAOYSA-N	-1	1	475.910	4.618	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000408619024	569977175	/nfs/dbraw/zinc/97/71/75/569977175.db2.gz	HPECFSNJAAMJKU-UHFFFAOYSA-N	-1	1	479.436	4.975	40	5		JJBBMM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-]	ZINC000408906839	570071015	/nfs/dbraw/zinc/07/10/15/570071015.db2.gz	IYMYLJWYNHPNCV-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)ccc1[N+](=O)[O-]	ZINC000408575265	570205630	/nfs/dbraw/zinc/20/56/30/570205630.db2.gz	IKSGMAAHBCSARL-UHFFFAOYSA-N	-1	1	490.335	4.719	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1	ZINC000020453439	525604567	/nfs/dbraw/zinc/60/45/67/525604567.db2.gz	KJAUAERORSJCPI-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810304	554690020	/nfs/dbraw/zinc/69/00/20/554690020.db2.gz	SLISPJBGFWEXGK-UHFFFAOYSA-N	-1	1	463.874	4.749	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000020060861	555623752	/nfs/dbraw/zinc/62/37/52/555623752.db2.gz	CFRPOEFUYSEBGS-UHFFFAOYSA-N	-1	1	492.469	4.709	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2C)cc1	ZINC000010315078	555681687	/nfs/dbraw/zinc/68/16/87/555681687.db2.gz	IOLOZPOFXTYVQE-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408633886	569984815	/nfs/dbraw/zinc/98/48/15/569984815.db2.gz	MSTOFSGDQGRWNC-LDADJPATSA-N	-1	1	471.926	4.851	40	5		JJBBMM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-]	ZINC000408906018	570070701	/nfs/dbraw/zinc/07/07/01/570070701.db2.gz	AFMNXGLHJABTAA-UHFFFAOYSA-N	-1	1	479.436	4.975	40	5		JJBBMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1C	ZINC000408549037	570194482	/nfs/dbraw/zinc/19/44/82/570194482.db2.gz	VXYXOIMGOJNWME-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408562569	570201853	/nfs/dbraw/zinc/20/18/53/570201853.db2.gz	BQCXFMUMNOKGKW-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3[O-])nc2c1	ZINC000008833350	554731029	/nfs/dbraw/zinc/73/10/29/554731029.db2.gz	KSHSVYZHLVIDQY-UHFFFAOYSA-N	-1	1	492.513	4.806	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015438743	555908862	/nfs/dbraw/zinc/90/88/62/555908862.db2.gz	NIMDTADQFIHBMN-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[O-])n2)c1	ZINC000408631397	569982989	/nfs/dbraw/zinc/98/29/89/569982989.db2.gz	DSAVPJDYJUOYTK-NDENLUEZSA-N	-1	1	494.485	4.875	40	5		JJBBMM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000409171931	570155231	/nfs/dbraw/zinc/15/52/31/570155231.db2.gz	DXSFEANFVZQAOM-AWNIVKPZSA-N	-1	1	457.895	4.701	40	5		JJBBMM
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1[N+](=O)[O-]	ZINC000008833320	554730790	/nfs/dbraw/zinc/73/07/90/554730790.db2.gz	MULCOWLTTFNOPF-UHFFFAOYSA-N	-1	1	478.486	4.552	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1	ZINC000010367665	555698487	/nfs/dbraw/zinc/69/84/87/555698487.db2.gz	DTAVVPNXWJKKGB-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000030757538	556373643	/nfs/dbraw/zinc/37/36/43/556373643.db2.gz	LCESBOLFRYAJAI-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=[N+]([O-])c1ccc(Sc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)nc1	ZINC000408605904	569971027	/nfs/dbraw/zinc/97/10/27/569971027.db2.gz	NJPAKQJHDMKPNB-UHFFFAOYSA-N	-1	1	470.308	4.857	40	5		JJBBMM
Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2)=C([O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000408682511	570012890	/nfs/dbraw/zinc/01/28/90/570012890.db2.gz	JKAAPBOFCHAGPM-QFIPXVFZSA-N	-1	1	471.918	4.855	40	5		JJBBMM
Cc1n[nH]c(SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1	ZINC000409190558	570161758	/nfs/dbraw/zinc/16/17/58/570161758.db2.gz	ZMFPONYHEGKQAS-MFOYZWKCSA-N	-1	1	491.323	4.581	40	5		JJBBMM
Cc1nc(SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000409190558	570161759	/nfs/dbraw/zinc/16/17/59/570161759.db2.gz	ZMFPONYHEGKQAS-MFOYZWKCSA-N	-1	1	491.323	4.581	40	5		JJBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1	ZINC000408548108	570194097	/nfs/dbraw/zinc/19/40/97/570194097.db2.gz	PIDOCCYKKLRIIC-UHFFFAOYSA-N	-1	1	469.519	4.582	40	5		JJBBMM
O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020766532	195222067	/nfs/dbraw/zinc/22/20/67/195222067.db2.gz	NXUSBTQJXHKXGB-UHFFFAOYSA-N	-1	1	471.922	4.642	40	5		JJBBMM
CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000008833166	554730013	/nfs/dbraw/zinc/73/00/13/554730013.db2.gz	ZKFOZQHUCZFWIW-UHFFFAOYSA-N	-1	1	476.986	4.978	40	5		JJBBMM
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3[O-])oc2c1	ZINC000009064857	554884053	/nfs/dbraw/zinc/88/40/53/554884053.db2.gz	UXPWHEOSYZRKPW-UHFFFAOYSA-N	-1	1	462.487	4.852	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c(C)c1	ZINC000014154004	555710694	/nfs/dbraw/zinc/71/06/94/555710694.db2.gz	RHYCJOBILHWQQP-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408690156	570015078	/nfs/dbraw/zinc/01/50/78/570015078.db2.gz	ZURNMGGTEOAPGF-QFIPXVFZSA-N	-1	1	471.918	4.855	40	5		JJBBMM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cccc1[N+](=O)[O-]	ZINC000408923227	570077810	/nfs/dbraw/zinc/07/78/10/570077810.db2.gz	GJUJGDIIIOZVNY-UHFFFAOYSA-N	-1	1	490.335	4.719	40	5		JJBBMM
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000408923176	570077854	/nfs/dbraw/zinc/07/78/54/570077854.db2.gz	AMPQUFIRZVDRHW-UHFFFAOYSA-N	-1	1	491.978	4.921	40	5		JJBBMM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000409181881	570159515	/nfs/dbraw/zinc/15/95/15/570159515.db2.gz	GKCIOEIGHZPUAM-KPKJPENVSA-N	-1	1	457.895	4.701	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1Cl	ZINC000408564204	570202461	/nfs/dbraw/zinc/20/24/61/570202461.db2.gz	SSVQBEGRCNBPPT-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000408576466	570205940	/nfs/dbraw/zinc/20/59/40/570205940.db2.gz	VLRRAYGFULJJLT-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000408921594	570077324	/nfs/dbraw/zinc/07/73/24/570077324.db2.gz	JGCCFJRKTQNGPF-MDWZMJQESA-N	-1	1	451.504	4.664	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1Cl	ZINC000408562932	570201991	/nfs/dbraw/zinc/20/19/91/570201991.db2.gz	HBAOMYOQDPZZTI-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810145	554689442	/nfs/dbraw/zinc/68/94/42/554689442.db2.gz	LIGUXMZVVATEKL-UHFFFAOYSA-N	-1	1	463.874	4.749	40	5		JJBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000020060915	555623734	/nfs/dbraw/zinc/62/37/34/555623734.db2.gz	SFGJVARESSUIOG-UHFFFAOYSA-N	-1	1	490.881	4.518	40	5		JJBBMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1	ZINC000014154019	555710743	/nfs/dbraw/zinc/71/07/43/555710743.db2.gz	FPJOHDAVHRCEHI-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3[O-])oc2c1	ZINC000014270157	555761625	/nfs/dbraw/zinc/76/16/25/555761625.db2.gz	YTTWWFKWTCKRBC-UHFFFAOYSA-N	-1	1	462.487	4.852	40	5		JJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000015422503	555908053	/nfs/dbraw/zinc/90/80/53/555908053.db2.gz	IZAITOQXKNRPQZ-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1	ZINC000216384950	569878644	/nfs/dbraw/zinc/87/86/44/569878644.db2.gz	JPWYNZFJLPLLIQ-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)[O-])n2)c1	ZINC000408633778	569984671	/nfs/dbraw/zinc/98/46/71/569984671.db2.gz	PHAHOYKEPNFKOW-NDENLUEZSA-N	-1	1	494.485	4.875	40	5		JJBBMM
Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408690155	570015102	/nfs/dbraw/zinc/01/51/02/570015102.db2.gz	ZURNMGGTEOAPGF-JOCHJYFZSA-N	-1	1	471.918	4.855	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408907788	570071278	/nfs/dbraw/zinc/07/12/78/570071278.db2.gz	RWNHDZGIOOVSFK-VGOFMYFVSA-N	-1	1	451.504	4.664	40	5		JJBBMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3sc4ccc(Cl)cc4c(=O)c3c1)OCC(=O)N2	ZINC000030947732	556389342	/nfs/dbraw/zinc/38/93/42/556389342.db2.gz	QRRUPCOZQWKJQH-UHFFFAOYSA-N	-1	1	486.958	4.508	40	5		JJBBMM
Cc1c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000225787399	570021728	/nfs/dbraw/zinc/02/17/28/570021728.db2.gz	RBCUJNLCXFCLKY-UHFFFAOYSA-N	-1	1	489.962	4.782	40	5		JJBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225800976	570022372	/nfs/dbraw/zinc/02/23/72/570022372.db2.gz	JLIHCLOWJBWWJR-UHFFFAOYSA-N	-1	1	489.962	4.782	40	5		JJBBMM
Cc1c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000225801040	570022391	/nfs/dbraw/zinc/02/23/91/570022391.db2.gz	SGAMUNKPVQVOIM-UHFFFAOYSA-N	-1	1	489.962	4.782	40	5		JJBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000409173638	570155844	/nfs/dbraw/zinc/15/58/44/570155844.db2.gz	NEPVDHXVOBZWBI-UHFFFAOYSA-N	-1	1	459.911	4.539	40	5		JJBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000408564606	570202802	/nfs/dbraw/zinc/20/28/02/570202802.db2.gz	YJJGQFOGENZEFP-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)ccc1[N+](=O)[O-]	ZINC000408573933	570205305	/nfs/dbraw/zinc/20/53/05/570205305.db2.gz	FSRABUQUWSJISF-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020767270	195222847	/nfs/dbraw/zinc/22/28/47/195222847.db2.gz	CRWWWKBTVLXOMY-UHFFFAOYSA-N	-1	1	471.922	4.642	40	5		JJBBMM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000044849021	527129678	/nfs/dbraw/zinc/12/96/78/527129678.db2.gz	RGTMFIOLLOYYJR-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3[O-])nc2c1	ZINC000009064882	554884113	/nfs/dbraw/zinc/88/41/13/554884113.db2.gz	KPWKXSMUGWGYKB-UHFFFAOYSA-N	-1	1	462.487	4.798	40	5		JJBBMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1	ZINC000014154346	555711509	/nfs/dbraw/zinc/71/15/09/555711509.db2.gz	YLAPUDJEGRTBLA-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000014155915	555714741	/nfs/dbraw/zinc/71/47/41/555714741.db2.gz	AQZSMPKPKLGAMA-UHFFFAOYSA-N	-1	1	469.519	4.582	40	5		JJBBMM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1	ZINC000408636274	569986555	/nfs/dbraw/zinc/98/65/55/569986555.db2.gz	NFPIIRAXODDESF-UHFFFAOYSA-N	-1	1	496.328	4.720	40	5		JJBBMM
Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2)=C([O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000408682510	570012922	/nfs/dbraw/zinc/01/29/22/570012922.db2.gz	JKAAPBOFCHAGPM-JOCHJYFZSA-N	-1	1	471.918	4.855	40	5		JJBBMM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-]	ZINC000408922645	570077644	/nfs/dbraw/zinc/07/76/44/570077644.db2.gz	PXGUCINKZKQSBP-UHFFFAOYSA-N	-1	1	479.436	4.975	40	5		JJBBMM
Cc1sc2nc(-c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C	ZINC000408991132	570094075	/nfs/dbraw/zinc/09/40/75/570094075.db2.gz	MXLVRTMICXMGQO-UHFFFAOYSA-N	-1	1	477.531	4.716	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1Cl	ZINC000409174974	570156521	/nfs/dbraw/zinc/15/65/21/570156521.db2.gz	WWYOWYNQCNBCGV-UHFFFAOYSA-N	-1	1	459.911	4.539	40	5		JJBBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1C	ZINC000408546545	570193414	/nfs/dbraw/zinc/19/34/14/570193414.db2.gz	FDXDKBJKASNROB-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408553450	570195754	/nfs/dbraw/zinc/19/57/54/570195754.db2.gz	WNICYNOAFKRQSM-UHFFFAOYSA-N	-1	1	475.910	4.618	40	5		JJBBMM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000020450586	527130789	/nfs/dbraw/zinc/13/07/89/527130789.db2.gz	LFIVGZNGLRKWNQ-UHFFFAOYSA-N	-1	1	466.302	4.955	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1	ZINC000014155407	555713793	/nfs/dbraw/zinc/71/37/93/555713793.db2.gz	WULCDQNXQPAHTJ-UHFFFAOYSA-N	-1	1	453.520	4.882	40	5		JJBBMM
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3[O-])nc2c1	ZINC000014270204	555761455	/nfs/dbraw/zinc/76/14/55/555761455.db2.gz	LXROLYXTGNVJFF-UHFFFAOYSA-N	-1	1	462.487	4.798	40	5		JJBBMM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1[N+](=O)[O-]	ZINC000014275017	555778940	/nfs/dbraw/zinc/77/89/40/555778940.db2.gz	CHXAEIDFBPEIGP-UHFFFAOYSA-N	-1	1	492.513	4.943	40	5		JJBBMM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1[N+](=O)[O-]	ZINC000408923616	570077965	/nfs/dbraw/zinc/07/79/65/570077965.db2.gz	YOHGXAYHMOYZSB-UHFFFAOYSA-N	-1	1	490.335	4.719	40	5		JJBBMM
O=C(Oc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409268495	570188883	/nfs/dbraw/zinc/18/88/83/570188883.db2.gz	UPQKMTRYZOXYIH-UHFFFAOYSA-N	-1	1	492.469	4.978	40	5		JJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1	ZINC000408570075	570204529	/nfs/dbraw/zinc/20/45/29/570204529.db2.gz	YMOIJHABGSACNM-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2C)cc1	ZINC000010332916	555688679	/nfs/dbraw/zinc/68/86/79/555688679.db2.gz	JMCMOGAHVOKSFK-UHFFFAOYSA-N	-1	1	459.911	4.918	40	5		JJBBMM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000408921307	570077382	/nfs/dbraw/zinc/07/73/82/570077382.db2.gz	GAONITHCKQYDOG-YIXHJXPBSA-N	-1	1	457.895	4.701	40	5		JJBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408922439	570077660	/nfs/dbraw/zinc/07/76/60/570077660.db2.gz	AUFGTWNSAIOBME-UHFFFAOYSA-N	-1	1	471.560	4.576	40	5		JJBBMM