smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000223939500	568879771	/nfs/dbraw/zinc/87/97/71/568879771.db2.gz	GENDPHLSENULEF-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000408923948	556623529	/nfs/dbraw/zinc/62/35/29/556623529.db2.gz	INERWXZKGGRDOX-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Oc1cccc(-c2nc3ccccc3c(=O)[n-]2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409266703	556636387	/nfs/dbraw/zinc/63/63/87/556636387.db2.gz	XUDQLZVOWYYDIE-UHFFFAOYSA-N	-1	1	432.348	4.038	40	5		IIBBMM
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000000851593	557830395	/nfs/dbraw/zinc/83/03/95/557830395.db2.gz	QWNZPBYWJVZXLI-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000015411182	568761943	/nfs/dbraw/zinc/76/19/43/568761943.db2.gz	XSRLXQHEDXFYJL-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
COc1ccc(NC(=O)Cc2sc(Nc3ccc(Cl)cc3C)nc2[O-])c([N+](=O)[O-])c1	ZINC000017196743	524519758	/nfs/dbraw/zinc/51/97/58/524519758.db2.gz	BNODKUWAGFYKQY-INIZCTEOSA-N	-1	1	448.888	4.004	40	5		IIBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1	ZINC000409175932	556985691	/nfs/dbraw/zinc/98/56/91/556985691.db2.gz	FCNJTCSDPQJKDF-UHFFFAOYSA-N	-1	1	439.493	4.194	40	5		IIBBMM
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000010371210	569224092	/nfs/dbraw/zinc/22/40/92/569224092.db2.gz	YKPNVHWGZUQNKP-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000047156227	557518038	/nfs/dbraw/zinc/51/80/38/557518038.db2.gz	BANDNBQZQTVVFE-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)N2C(=S)[N-]c3ccccc3[C@H]2c2ccccc2)cc1	ZINC000016478548	568909367	/nfs/dbraw/zinc/90/93/67/568909367.db2.gz	LCRZQAPOPBWZAV-LJQANCHMSA-N	-1	1	425.491	4.086	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)c1	ZINC000015791004	568837977	/nfs/dbraw/zinc/83/79/77/568837977.db2.gz	ZEYBRZBOIFNLIB-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2C)cc1	ZINC000010315137	569222750	/nfs/dbraw/zinc/22/27/50/569222750.db2.gz	XDODGWHFALYBLH-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1	ZINC000068874705	569250050	/nfs/dbraw/zinc/25/00/50/569250050.db2.gz	KSOGTRMVBRFDSZ-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000408563768	557417083	/nfs/dbraw/zinc/41/70/83/557417083.db2.gz	PGMQFAWSRVIDIR-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000015438733	556527924	/nfs/dbraw/zinc/52/79/24/556527924.db2.gz	JBYUOVBNVJJMLN-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccc(Sc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2[N+](=O)[O-])cc1	ZINC000409348593	557076561	/nfs/dbraw/zinc/07/65/61/557076561.db2.gz	NPLXGJDIADRFFZ-WEVVVXLNSA-N	-1	1	426.410	4.334	40	5		IIBBMM
O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000215254980	569290190	/nfs/dbraw/zinc/29/01/90/569290190.db2.gz	TWPGKCLHEPPHGS-OVCLIPMQSA-N	-1	1	435.255	4.299	40	5		IIBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCCC1	ZINC000026120251	557451169	/nfs/dbraw/zinc/45/11/69/557451169.db2.gz	DWXZQEOUBHBQBK-UHFFFAOYSA-N	-1	1	449.554	4.134	40	5		IIBBMM
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000010332368	569223354	/nfs/dbraw/zinc/22/33/54/569223354.db2.gz	IWLUNVOFRNNBSM-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010314670	569299636	/nfs/dbraw/zinc/29/96/36/569299636.db2.gz	OIAHCSNIGIBGFF-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000015411302	556524821	/nfs/dbraw/zinc/52/48/21/556524821.db2.gz	GLBVYSGOYYJRAR-UHFFFAOYSA-N	-1	1	429.429	4.095	40	5		IIBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000409183896	556633327	/nfs/dbraw/zinc/63/33/27/556633327.db2.gz	UQWQPWVZZSVNAH-NTEUORMPSA-N	-1	1	437.477	4.356	40	5		IIBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000408570073	557417365	/nfs/dbraw/zinc/41/73/65/557417365.db2.gz	YLNGUZXDQOHAAI-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000408633442	557423085	/nfs/dbraw/zinc/42/30/85/557423085.db2.gz	YKUXOGZRICJWLO-NVNXTCNLSA-N	-1	1	432.845	4.260	40	5		IIBBMM
O=c1[nH]c(C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234790	569294526	/nfs/dbraw/zinc/29/45/26/569294526.db2.gz	MUXIQXFMAXZCCE-QPJJXVBHSA-N	-1	1	434.235	4.440	40	5		IIBBMM
CCn1c(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634382	557423340	/nfs/dbraw/zinc/42/33/40/557423340.db2.gz	QLWMHMIGGNBFPB-YBEGLDIGSA-N	-1	1	446.872	4.450	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408913213	556886617	/nfs/dbraw/zinc/88/66/17/556886617.db2.gz	SDIZVZGQSUTYDC-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000409176691	556986235	/nfs/dbraw/zinc/98/62/35/556986235.db2.gz	VBMQHUXUPMDNGG-UHFFFAOYSA-N	-1	1	445.884	4.230	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013981742	557189353	/nfs/dbraw/zinc/18/93/53/557189353.db2.gz	ZRFGPRILZYCDTA-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)=C([O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000408685429	556616857	/nfs/dbraw/zinc/61/68/57/556616857.db2.gz	PLDCUTUTTSSOBV-QFIPXVFZSA-N	-1	1	437.473	4.201	40	5		IIBBMM
Cc1n[nH]c(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n1	ZINC000409189626	556633364	/nfs/dbraw/zinc/63/33/64/556633364.db2.gz	LUXGNIJLNZICOL-GRSHGNNSSA-N	-1	1	435.465	4.242	40	5		IIBBMM
Cc1nc(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000409189626	556633368	/nfs/dbraw/zinc/63/33/68/556633368.db2.gz	LUXGNIJLNZICOL-GRSHGNNSSA-N	-1	1	435.465	4.242	40	5		IIBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000408584145	557420480	/nfs/dbraw/zinc/42/04/80/557420480.db2.gz	MIYUOQJGKHPDLP-UHFFFAOYSA-N	-1	1	432.502	4.112	40	5		IIBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000224531952	568937660	/nfs/dbraw/zinc/93/76/60/568937660.db2.gz	QKDIXXNRAQUZMH-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010314217	569222390	/nfs/dbraw/zinc/22/23/90/569222390.db2.gz	CZRFZEROIOXQLT-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1	ZINC000010364217	569223841	/nfs/dbraw/zinc/22/38/41/569223841.db2.gz	KUHIMLRCWCNEIO-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000010368453	569223971	/nfs/dbraw/zinc/22/39/71/569223971.db2.gz	IMHLKVNRTHPXGD-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000408546898	557415792	/nfs/dbraw/zinc/41/57/92/557415792.db2.gz	HDSWMNLRTWVIET-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000218406239	569457388	/nfs/dbraw/zinc/45/73/88/569457388.db2.gz	NXEUALAVYIPBTP-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409177238	556632510	/nfs/dbraw/zinc/63/25/10/556632510.db2.gz	FIENMDDVURSKQH-OVCLIPMQSA-N	-1	1	437.477	4.356	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000408907269	556884929	/nfs/dbraw/zinc/88/49/29/556884929.db2.gz	NTXONVGHKWHSRT-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCCC1	ZINC000026116520	569242341	/nfs/dbraw/zinc/24/23/41/569242341.db2.gz	BNCRXXCKYKSDTA-UHFFFAOYSA-N	-1	1	449.554	4.052	40	5		IIBBMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000058059106	569249519	/nfs/dbraw/zinc/24/95/19/569249519.db2.gz	LWRXUYOENUNHKQ-UHFFFAOYSA-N	-1	1	445.884	4.230	40	5		IIBBMM
O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	ZINC000214982498	556676397	/nfs/dbraw/zinc/67/63/97/556676397.db2.gz	UKWKMIXRVVYQFJ-OVCLIPMQSA-N	-1	1	435.255	4.299	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000009904529	569220211	/nfs/dbraw/zinc/22/02/11/569220211.db2.gz	VNEJGOZUKTXGMU-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000020570863	527375333	/nfs/dbraw/zinc/37/53/33/527375333.db2.gz	YEXRCIQCTRXATJ-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1	ZINC000408555855	555892983	/nfs/dbraw/zinc/89/29/83/555892983.db2.gz	HBXWCKDPHHDXLP-UHFFFAOYSA-N	-1	1	441.465	4.047	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000016310513	568876709	/nfs/dbraw/zinc/87/67/09/568876709.db2.gz	AFQYFRGYVXJAEW-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000010315300	569299672	/nfs/dbraw/zinc/29/96/72/569299672.db2.gz	KTMWVUXAPMIKHZ-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)[O-])o1	ZINC000408635251	557423273	/nfs/dbraw/zinc/42/32/73/557423273.db2.gz	ZNNSTJZKFBTCJJ-CHHVJCJISA-N	-1	1	449.828	4.230	40	5		IIBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810757	569290796	/nfs/dbraw/zinc/29/07/96/569290796.db2.gz	KZRNFJPKCAZCKW-UHFFFAOYSA-N	-1	1	447.419	4.235	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)NC1CCCCC1	ZINC000408553329	557416731	/nfs/dbraw/zinc/41/67/31/557416731.db2.gz	VEJPFBBHCAYCQD-UHFFFAOYSA-N	-1	1	431.514	4.075	40	5		IIBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1	ZINC000408584327	557420247	/nfs/dbraw/zinc/42/02/47/557420247.db2.gz	ODXBUPQYCSCQSR-UHFFFAOYSA-N	-1	1	432.502	4.112	40	5		IIBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1	ZINC000026116535	557441479	/nfs/dbraw/zinc/44/14/79/557441479.db2.gz	PIJFRYWIYRRTKT-UHFFFAOYSA-N	-1	1	449.554	4.052	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000058058931	569249521	/nfs/dbraw/zinc/24/95/21/569249521.db2.gz	FXZCBADZKFXNBI-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccccc1	ZINC000408609880	557421604	/nfs/dbraw/zinc/42/16/04/557421604.db2.gz	SJZFUGIRRKBAJV-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
COc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000408634619	557423265	/nfs/dbraw/zinc/42/32/65/557423265.db2.gz	SNCNMBQSEGINLW-DHDCSXOGSA-N	-1	1	432.845	4.260	40	5		IIBBMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1	ZINC000015790965	568837955	/nfs/dbraw/zinc/83/79/55/568837955.db2.gz	OKFRMLRZMBVNCN-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1	ZINC000034882324	555553112	/nfs/dbraw/zinc/55/31/12/555553112.db2.gz	HSTVKHKRHFPCKR-UHFFFAOYSA-N	-1	1	431.514	4.075	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000015438744	556527892	/nfs/dbraw/zinc/52/78/92/556527892.db2.gz	PQJBSJDZBUXRGW-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408922627	556892105	/nfs/dbraw/zinc/89/21/05/556892105.db2.gz	PRVITBBIJFWDHP-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000044880090	557538467	/nfs/dbraw/zinc/53/84/67/557538467.db2.gz	AJOKWDWAGQUDMW-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)c1	ZINC000015411258	568761898	/nfs/dbraw/zinc/76/18/98/568761898.db2.gz	UGEQCSUYGFNTKF-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010314944	569222730	/nfs/dbraw/zinc/22/27/30/569222730.db2.gz	RZUQIAWWYWJCFN-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810922	569290845	/nfs/dbraw/zinc/29/08/45/569290845.db2.gz	FXQLFCZXPACHDZ-UHFFFAOYSA-N	-1	1	447.419	4.235	40	5		IIBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000020571690	527375015	/nfs/dbraw/zinc/37/50/15/527375015.db2.gz	MGXCGIATWDKMCS-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000010356892	569223638	/nfs/dbraw/zinc/22/36/38/569223638.db2.gz	XTXIZVMEBPFOFL-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
COc1c(O)cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O	ZINC000014727633	563014914	/nfs/dbraw/zinc/01/49/14/563014914.db2.gz	TYALNCRUIKOKGP-UHFFFAOYSA-N	-1	1	428.481	4.284	40	5	endogenous,in-man	IIBBMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000223939655	568879780	/nfs/dbraw/zinc/87/97/80/568879780.db2.gz	PYTOFCXNAOWWCW-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1	ZINC000010363098	556333410	/nfs/dbraw/zinc/33/34/10/556333410.db2.gz	XKQLDKIQDYPJQU-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1	ZINC000223258837	568787704	/nfs/dbraw/zinc/78/77/04/568787704.db2.gz	WVIVHOLLUAWVMR-UHFFFAOYSA-N	-1	1	441.465	4.047	40	5		IIBBMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000223995925	568880317	/nfs/dbraw/zinc/88/03/17/568880317.db2.gz	VWWKGVLZYKNCDD-UHFFFAOYSA-N	-1	1	443.506	4.370	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000058058886	569249557	/nfs/dbraw/zinc/24/95/57/569249557.db2.gz	PVXTVLDLMBYKIA-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
COc1ccc(NC(=O)Cc2sc(Nc3ccc(Cl)cc3C)nc2[O-])c([N+](=O)[O-])c1	ZINC000005721979	557458620	/nfs/dbraw/zinc/45/86/20/557458620.db2.gz	BNODKUWAGFYKQY-MRXNPFEDSA-N	-1	1	448.888	4.004	40	5		IIBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C)cc1	ZINC000010371448	569224232	/nfs/dbraw/zinc/22/42/32/569224232.db2.gz	LVXMFGZTIFQMCH-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000038752732	569468789	/nfs/dbraw/zinc/46/87/89/569468789.db2.gz	RVASVWQXCGIUFO-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
Cc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)=C([O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000408685428	556616322	/nfs/dbraw/zinc/61/63/22/556616322.db2.gz	PLDCUTUTTSSOBV-JOCHJYFZSA-N	-1	1	437.473	4.201	40	5		IIBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1	ZINC000408608321	557421693	/nfs/dbraw/zinc/42/16/93/557421693.db2.gz	PBYLAUGHSFCKDM-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
O=C(Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000033909253	557810228	/nfs/dbraw/zinc/81/02/28/557810228.db2.gz	HOZAUJCRLNXCHL-LHHJGKSTSA-N	-1	1	431.407	4.051	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408908094	556884902	/nfs/dbraw/zinc/88/49/02/556884902.db2.gz	TWIOKPFHZZXSNE-VGOFMYFVSA-N	-1	1	437.477	4.356	40	5		IIBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1	ZINC000408573910	557419061	/nfs/dbraw/zinc/41/90/61/557419061.db2.gz	FFOPWVCQPQTCQT-UHFFFAOYSA-N	-1	1	425.466	4.265	40	5		IIBBMM
Cc1c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cccc1[N+](=O)[O-]	ZINC000015791025	568837913	/nfs/dbraw/zinc/83/79/13/568837913.db2.gz	FWGWJIIGKJZMNP-UHFFFAOYSA-N	-1	1	429.429	4.095	40	5		IIBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)N2C(=S)[N-]c3ccccc3[C@@H]2c2ccccc2)cc1	ZINC000016478545	568909436	/nfs/dbraw/zinc/90/94/36/568909436.db2.gz	LCRZQAPOPBWZAV-IBGZPJMESA-N	-1	1	425.491	4.086	40	5		IIBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000009903416	569220090	/nfs/dbraw/zinc/22/00/90/569220090.db2.gz	XTNPOAALEOVBLL-UHFFFAOYSA-N	-1	1	431.857	4.301	40	5		IIBBMM
COC(=O)c1ccc(Oc2ccc(-c3nc4ccccc4c(=O)[n-]3)cc2OC)c([N+](=O)[O-])c1	ZINC000409256313	557035095	/nfs/dbraw/zinc/03/50/95/557035095.db2.gz	NOCWPSWYYKHIEF-UHFFFAOYSA-N	-1	1	447.403	4.498	40	5		IIBBMM
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000223968255	568880152	/nfs/dbraw/zinc/88/01/52/568880152.db2.gz	XCOUAPSXRDCHRA-UHFFFAOYSA-N	-1	1	449.847	4.440	40	5		IIBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1	ZINC000408631762	557422779	/nfs/dbraw/zinc/42/27/79/557422779.db2.gz	LFTZQNZKQGNSOE-NVNXTCNLSA-N	-1	1	432.845	4.260	40	5		IIBBMM