smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1	ZINC000408923262	556892444	/nfs/dbraw/zinc/89/24/44/556892444.db2.gz	GQVBOUFCSPSAGK-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
CCOc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3[O-])n[n-]2)cc1OCC	ZINC000095534564	569374584	/nfs/dbraw/zinc/37/45/84/569374584.db2.gz	ODNQHWVWNFUKTP-KRWDZBQOSA-N	-2	3	433.306	3.785	40	0		IHABHL
Cc1c(Cl)c([O-])c(C/C=C(\CO)[C@H](O)C[C@]2(C)[C@H](C)CCC(=O)[C@@H]2C)c([O-])c1C=O	ZINC000514287893	560035923	/nfs/dbraw/zinc/03/59/23/560035923.db2.gz	HDMBFAOOJCPAHR-VPFGKCKRSA-N	-2	3	438.948	3.726	40	0	biogenic,in-vitro	IHABHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1	ZINC000102763063	557132764	/nfs/dbraw/zinc/13/27/64/557132764.db2.gz	MDYBRCHPMKMXDC-HBMCJLEFSA-N	-2	3	432.407	3.575	40	0		IHABHL
Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1[O-])C(=O)[C@H](O)[C@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C	ZINC000101224491	557280821	/nfs/dbraw/zinc/28/08/21/557280821.db2.gz	QNSJPNOLAYAJEG-XKFBCCIWSA-N	-2	3	438.520	3.975	40	0		IHABHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)c1	ZINC000224549020	557620930	/nfs/dbraw/zinc/62/09/30/557620930.db2.gz	DCVUHMSCYAGAAI-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1	ZINC000224549365	557620941	/nfs/dbraw/zinc/62/09/41/557620941.db2.gz	WQECULATIWUXLW-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
CCc1nc(SC(=Cc2cc(Br)c([O-])c(Br)c2)C(=O)[O-])n[n-]1	ZINC000408633425	556007898	/nfs/dbraw/zinc/00/78/98/556007898.db2.gz	YIRMAAQMXOATFE-UITAMQMPSA-N	-3	3	449.124	3.816	40	0		IHABHL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1	ZINC000102763066	557307742	/nfs/dbraw/zinc/30/77/42/557307742.db2.gz	MDYBRCHPMKMXDC-NJYVYQBISA-N	-2	3	432.407	3.575	40	0		IHABHL
Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1[O-])C(=O)[C@@H](O)[C@@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C	ZINC000008782773	569290636	/nfs/dbraw/zinc/29/06/36/569290636.db2.gz	QNSJPNOLAYAJEG-TVKIDPOGSA-N	-2	3	438.520	3.975	40	0		IHABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1C	ZINC000409120527	556961338	/nfs/dbraw/zinc/96/13/38/556961338.db2.gz	WRWKGHCNSGVJJW-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000224546323	557620172	/nfs/dbraw/zinc/62/01/72/557620172.db2.gz	BWISKXBDLIRKNO-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
CCOc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3[O-])n[n-]2)cc1OCC	ZINC000095534565	569374608	/nfs/dbraw/zinc/37/46/08/569374608.db2.gz	ODNQHWVWNFUKTP-QGZVFWFLSA-N	-2	3	433.306	3.785	40	0		IHABHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c(C)c1	ZINC000019931464	556948890	/nfs/dbraw/zinc/94/88/90/556948890.db2.gz	YWSIQEFETPTZNN-UHFFFAOYSA-N	-2	3	431.539	3.608	40	0		IHABHL
COc1ccc(-n2nc3[n-]c(COc4ccc(Cl)cc4Cl)cc(=O)c3c2[O-])cc1	ZINC000017097799	557480005	/nfs/dbraw/zinc/48/00/05/557480005.db2.gz	NUHYWUBXCGJEQL-UHFFFAOYSA-N	-2	3	432.263	3.902	40	0		IHABHL
COc1ccc(Cl)cc1-c1nc(SC(C(=O)[O-])=C2C(=O)Nc3ccccc32)n[n-]1	ZINC000408633535	556008158	/nfs/dbraw/zinc/00/81/58/556008158.db2.gz	ZQDZMQWYIAOQFM-CCEZHUSRSA-N	-2	3	428.857	3.674	40	0		IHABHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101406781	557124210	/nfs/dbraw/zinc/12/42/10/557124210.db2.gz	YBRGBAURKIDORR-PKOBYXMFSA-N	-2	3	430.291	3.933	40	0		IHABHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)cc1	ZINC000224545607	557620044	/nfs/dbraw/zinc/62/00/44/557620044.db2.gz	PJXRCKMMJTUFRE-UHFFFAOYSA-N	-2	3	446.550	3.828	40	0		IHABHL
CCCc1nc(SC(=Cc2c(C)n(CC(=O)OCC)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000408630525	556001431	/nfs/dbraw/zinc/00/14/31/556001431.db2.gz	BAVXZDDMRWEANF-BOPFTXTBSA-N	-2	3	428.514	3.801	40	0		IHABHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(C)cc3)cc2)cc1	ZINC000224548248	557620684	/nfs/dbraw/zinc/62/06/84/557620684.db2.gz	MBZLZXGZUNICTE-UHFFFAOYSA-N	-2	3	446.550	3.746	40	0		IHABHL
O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1	ZINC000009232404	569294705	/nfs/dbraw/zinc/29/47/05/569294705.db2.gz	QWLMNNQHHRXDKQ-QHAWAJNXSA-N	-2	3	432.407	3.575	40	0		IHABHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000016310470	556599341	/nfs/dbraw/zinc/59/93/41/556599341.db2.gz	KKBJNLSCEMVYGV-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1ccccc1[O-]	ZINC000409411118	557104206	/nfs/dbraw/zinc/10/42/06/557104206.db2.gz	CMIVEBKYGJVFMW-UHFFFAOYSA-N	-2	3	432.889	3.753	40	0		IHABHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101406777	557124185	/nfs/dbraw/zinc/12/41/85/557124185.db2.gz	YBRGBAURKIDORR-MJGOQNOKSA-N	-2	3	430.291	3.933	40	0		IHABHL
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1	ZINC000009307236	569295229	/nfs/dbraw/zinc/29/52/29/569295229.db2.gz	OQASDXQACGOCDP-FKBYEOEOSA-N	-2	3	428.444	3.744	40	0		IHABHL
CCCc1nc(SC(=Cc2cc(Br)c(OC)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000408630713	556001652	/nfs/dbraw/zinc/00/16/52/556001652.db2.gz	CEVRNXYCWNYTOX-WQLSENKSSA-N	-2	3	428.308	3.755	40	0		IHABHL
CCOc1cc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc(Br)c1OC	ZINC000408631840	556003659	/nfs/dbraw/zinc/00/36/59/556003659.db2.gz	MCZXMDHAWRDRFZ-WQLSENKSSA-N	-2	3	428.308	3.755	40	0		IHABHL
Cc1nnc(SC(=Cc2cc(Br)cc(Br)c2[O-])C(=O)[O-])[nH]1	ZINC000409188799	556988687	/nfs/dbraw/zinc/98/86/87/556988687.db2.gz	AOTGMYBTFXAJIT-OQFOIZHKSA-N	-2	3	435.097	3.562	40	0		IHABHL
Cc1n[nH]c(SC(=Cc2cc(Br)cc(Br)c2[O-])C(=O)[O-])n1	ZINC000409188799	556988689	/nfs/dbraw/zinc/98/86/89/556988689.db2.gz	AOTGMYBTFXAJIT-OQFOIZHKSA-N	-2	3	435.097	3.562	40	0		IHABHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1OC(=O)c1ccc(Cl)cc1	ZINC000035171420	569248390	/nfs/dbraw/zinc/24/83/90/569248390.db2.gz	QNGHMIRMJPVFQU-UHFFFAOYSA-N	-2	3	438.871	3.801	40	0		IHABHL
O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c(Cl)cc1Cl	ZINC000036615076	556514323	/nfs/dbraw/zinc/51/43/23/556514323.db2.gz	KCHOPFHWBIKBLZ-UHFFFAOYSA-N	-2	3	429.325	3.770	40	0		IHABHL
Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000013811310	556743845	/nfs/dbraw/zinc/74/38/45/556743845.db2.gz	JRCAJBKWMVHQDJ-FSSWDIPSSA-N	-2	3	428.444	3.744	40	0		IHABHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101406776	557124172	/nfs/dbraw/zinc/12/41/72/557124172.db2.gz	YBRGBAURKIDORR-IEBWSBKVSA-N	-2	3	430.291	3.933	40	0		IHABHL
Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1	ZINC000224548174	557620627	/nfs/dbraw/zinc/62/06/27/557620627.db2.gz	KWIPQPCRWKCFBW-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000035045741	555706003	/nfs/dbraw/zinc/70/60/03/555706003.db2.gz	YBRGBAURKIDORR-HKUYNNGSSA-N	-2	3	430.291	3.933	40	0		IHABHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1	ZINC000014224174	556393836	/nfs/dbraw/zinc/39/38/36/556393836.db2.gz	MIIYZADEAAMAFC-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
CCc1nc(SC(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)[O-])n[n-]1	ZINC000408631181	556002702	/nfs/dbraw/zinc/00/27/02/556002702.db2.gz	FSLQRJDRAGNEQM-ZDLGFXPLSA-N	-2	3	425.466	3.893	40	0		IHABHL
COc1ccc(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C(=O)[O-])cc1	ZINC000217638319	557172635	/nfs/dbraw/zinc/17/26/35/557172635.db2.gz	DLTILWYVNAPIBW-UHFFFAOYSA-N	-2	3	426.494	3.849	40	0		IHABHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)cc1	ZINC000224549430	557620944	/nfs/dbraw/zinc/62/09/44/557620944.db2.gz	PPUXLYOQQDJIBN-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
CCc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1OC	ZINC000223756978	557509976	/nfs/dbraw/zinc/50/99/76/557509976.db2.gz	ORZLKUIGZSYCBK-UHFFFAOYSA-N	-2	3	446.550	3.859	40	0		IHABHL
Cc1c(Cl)c([O-])c(C/C=C(\CO)[C@H](O)C[C@]2(C)[C@H](C)CCC(=O)[C@H]2C)c([O-])c1C=O	ZINC000514287892	560035931	/nfs/dbraw/zinc/03/59/31/560035931.db2.gz	HDMBFAOOJCPAHR-SOLRKFQYSA-N	-2	3	438.948	3.726	40	0	biogenic,in-vitro	IHABHL
Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1[O-])C(=O)[C@H](O)[C@@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C	ZINC000101224484	557280849	/nfs/dbraw/zinc/28/08/49/557280849.db2.gz	QNSJPNOLAYAJEG-KQACMCHDSA-N	-2	3	438.520	3.975	40	0		IHABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C	ZINC000032587882	569243459	/nfs/dbraw/zinc/24/34/59/569243459.db2.gz	OLUNSDXIOATRDQ-UHFFFAOYSA-N	-2	3	432.523	3.605	40	0		IHABHL
Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1[O-])C(=O)[C@@H](O)[C@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C	ZINC000008782775	569290665	/nfs/dbraw/zinc/29/06/65/569290665.db2.gz	QNSJPNOLAYAJEG-RIQHXCIPSA-N	-2	3	438.520	3.975	40	0		IHABHL
CCCc1nc(SC(=Cc2ccc(OC)c(I)c2)C(=O)[O-])n[n-]1	ZINC000408632484	556006636	/nfs/dbraw/zinc/00/66/36/556006636.db2.gz	QMUHGMCVTPQUDO-WQLSENKSSA-N	-2	3	445.282	3.588	40	0		IHABHL
CCc1nc(SC(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[O-])n[n-]1	ZINC000408633302	556007580	/nfs/dbraw/zinc/00/75/80/556007580.db2.gz	XQFVQEVTQFBJIG-BOPFTXTBSA-N	-3	3	425.466	3.862	40	0		IHABHL
O=S(=O)([N-]c1cccnc1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000020107215	556983308	/nfs/dbraw/zinc/98/33/08/556983308.db2.gz	IUWIECWVPNUDBU-UHFFFAOYSA-N	-2	3	439.518	3.836	40	0		IHABHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)c1	ZINC000224549707	557620935	/nfs/dbraw/zinc/62/09/35/557620935.db2.gz	NPPDONLYPXZOIS-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000009345670	569295722	/nfs/dbraw/zinc/29/57/22/569295722.db2.gz	JRCAJBKWMVHQDJ-FKBYEOEOSA-N	-2	3	428.444	3.744	40	0		IHABHL
CCOC(=O)COc1ccc2ccccc2c1C=C(Sc1n[n-]c(CC)n1)C(=O)[O-]	ZINC000408631864	556003519	/nfs/dbraw/zinc/00/35/19/556003519.db2.gz	MKJBKTTUAANRAL-BOPFTXTBSA-N	-2	3	427.482	3.680	40	0		IHABHL
CCc1nc(SC(=Cc2cc(Br)c(N3CCCCC3)o2)C(=O)[O-])n[n-]1	ZINC000408632548	556006683	/nfs/dbraw/zinc/00/66/83/556006683.db2.gz	RFAXXDNAQRKIQB-XFXZXTDPSA-N	-2	3	427.324	3.931	40	0		IHABHL
COc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1	ZINC000223756919	557509660	/nfs/dbraw/zinc/50/96/60/557509660.db2.gz	OTJQEWXXLNSNNB-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)cc1	ZINC000224550117	557621233	/nfs/dbraw/zinc/62/12/33/557621233.db2.gz	QQHKOPMMHFLKLH-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
CCCc1nc(SC(=Cc2cc(Br)c(OC)cc2OC)C(=O)[O-])n[n-]1	ZINC000408633041	556007325	/nfs/dbraw/zinc/00/73/25/556007325.db2.gz	VFNIXJIUWDCALK-QPEQYQDCSA-N	-2	3	428.308	3.755	40	0		IHABHL
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1	ZINC000013803704	556743141	/nfs/dbraw/zinc/74/31/41/556743141.db2.gz	OQASDXQACGOCDP-FSSWDIPSSA-N	-2	3	428.444	3.744	40	0		IHABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1	ZINC000059132891	557814970	/nfs/dbraw/zinc/81/49/70/557814970.db2.gz	FSKSQXJWEDJKFW-UHFFFAOYSA-N	-2	3	432.523	3.605	40	0		IHABHL
CCOc1c(Br)cc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1OC	ZINC000408630509	556001390	/nfs/dbraw/zinc/00/13/90/556001390.db2.gz	AUTXCACAAMZTEK-WQLSENKSSA-N	-2	3	428.308	3.755	40	0		IHABHL
CCCc1nc(SC(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)[O-])n[n-]1	ZINC000408631850	556003650	/nfs/dbraw/zinc/00/36/50/556003650.db2.gz	MHOKNBQHBXLRIH-WDZFZDKYSA-N	-3	3	432.285	3.745	40	0		IHABHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)cc1	ZINC000224546396	557620149	/nfs/dbraw/zinc/62/01/49/557620149.db2.gz	RWJHHBMWMREUOD-UHFFFAOYSA-N	-2	3	446.550	3.746	40	0		IHABHL
CCc1nc(SC(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[n-]1	ZINC000408632750	556004580	/nfs/dbraw/zinc/00/45/80/556004580.db2.gz	SDJUFFCGZVHODG-BOPFTXTBSA-N	-3	3	425.466	3.862	40	0		IHABHL
O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000014291491	557434490	/nfs/dbraw/zinc/43/44/90/557434490.db2.gz	SNZMBLMEEMIXAC-UHFFFAOYSA-N	-2	3	443.959	3.539	40	0		IHABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1	ZINC000408925771	556891909	/nfs/dbraw/zinc/89/19/09/556891909.db2.gz	PNGFMQXSXVYDBD-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
COc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1	ZINC000223755676	557509373	/nfs/dbraw/zinc/50/93/73/557509373.db2.gz	ORXVAKFPMCQPRQ-UHFFFAOYSA-N	-2	3	432.523	3.605	40	0		IHABHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc(C)c3)cc2)cc1	ZINC000224547338	557620481	/nfs/dbraw/zinc/62/04/81/557620481.db2.gz	LRDCLVTXMAEWMP-UHFFFAOYSA-N	-2	3	446.550	3.746	40	0		IHABHL
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(=O)[O-])cc2)cc1	ZINC000035843307	524928381	/nfs/dbraw/zinc/92/83/81/524928381.db2.gz	OQASDXQACGOCDP-VSKRKVRLSA-N	-2	3	428.444	3.744	40	0		IHABHL
COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(I)c1[O-]	ZINC000408735820	556202743	/nfs/dbraw/zinc/20/27/43/556202743.db2.gz	YBZVQVBSQMSRKX-UHFFFAOYSA-N	-2	3	428.251	4.000	40	0		IHABHL
Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1	ZINC000224547267	557620413	/nfs/dbraw/zinc/62/04/13/557620413.db2.gz	ZQOJRSKNKWONAH-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1C	ZINC000409117745	556960383	/nfs/dbraw/zinc/96/03/83/556960383.db2.gz	MNQVBWVACJNLPG-UHFFFAOYSA-N	-2	3	446.550	3.914	40	0		IHABHL
Cc1c(Cl)c([O-])c(C/C=C(\CO)[C@H](O)C[C@@]2(C)[C@@H](C)C(=O)CC[C@@H]2C)c([O-])c1C=O	ZINC000514287891	560035906	/nfs/dbraw/zinc/03/59/06/560035906.db2.gz	HDMBFAOOJCPAHR-QIFYJLCOSA-N	-2	3	438.948	3.726	40	0	biogenic,in-vitro	IHABHL
Cc1c(Cl)c([O-])c(C/C=C(\CO)[C@H](O)C[C@]2(C)[C@@H](C)CCC(=O)[C@H]2C)c([O-])c1C=O	ZINC000514287890	560035934	/nfs/dbraw/zinc/03/59/34/560035934.db2.gz	HDMBFAOOJCPAHR-DVIKCWOBSA-N	-2	3	438.948	3.726	40	0	biogenic,in-vitro	IHABHL
CCc1nc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[O-])n[n-]1	ZINC000408633472	556007857	/nfs/dbraw/zinc/00/78/57/556007857.db2.gz	YUWQKSVEOXZPMQ-BOPFTXTBSA-N	-3	3	425.466	3.862	40	0		IHABHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(C)c1	ZINC000030871859	556513780	/nfs/dbraw/zinc/51/37/80/556513780.db2.gz	ULTDNGAGTKJLGM-UHFFFAOYSA-N	-2	3	431.539	3.608	40	0		IHABHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1	ZINC000224550065	557621260	/nfs/dbraw/zinc/62/12/60/557621260.db2.gz	OBTBEQHBFNSMJH-UHFFFAOYSA-N	-2	3	434.514	3.877	40	0		IHABHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1	ZINC000409113462	556958339	/nfs/dbraw/zinc/95/83/39/556958339.db2.gz	AXTSTXNATXAUGS-UHFFFAOYSA-N	-2	3	446.550	3.995	40	0		IHABHL
O=S(=O)(Cc1ccc(F)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000224549915	557621152	/nfs/dbraw/zinc/62/11/52/557621152.db2.gz	YQLQXQVGWUSPKC-UHFFFAOYSA-N	-2	3	438.477	3.708	40	0		IHABHL
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(=O)[O-])cc2)cc1	ZINC000009307237	569295260	/nfs/dbraw/zinc/29/52/60/569295260.db2.gz	OQASDXQACGOCDP-BDTNDASRSA-N	-2	3	428.444	3.744	40	0		IHABHL
O=S(=O)(Cc1ccccc1F)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000224549232	557620919	/nfs/dbraw/zinc/62/09/19/557620919.db2.gz	OZHIMRPBHYNWFH-UHFFFAOYSA-N	-2	3	438.477	3.708	40	0		IHABHL