smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000008714929	557801073	/nfs/dbraw/zinc/80/10/73/557801073.db2.gz	BAVQCABNEWBSKS-UHFFFAOYSA-N	-2	0	400.250	3.265	50	0		HGAARL
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000013939734	558604025	/nfs/dbraw/zinc/60/40/25/558604025.db2.gz	QSPIZMFLJIKFSW-OVCLIPMQSA-N	-2	0	416.817	3.196	50	0		HGAARL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000095428145	568608352	/nfs/dbraw/zinc/60/83/52/568608352.db2.gz	TZNUQJNDKDUZCA-UHFFFAOYSA-N	-2	0	421.324	3.130	50	0		HGAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(SC)c2)c1OC	ZINC000006008440	568835138	/nfs/dbraw/zinc/83/51/38/568835138.db2.gz	YBKGAJRUMXRWMP-BQYQJAHWSA-N	-2	0	409.485	3.324	50	0		HGAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1Cl	ZINC000012508029	568839686	/nfs/dbraw/zinc/83/96/86/568839686.db2.gz	VJUIDABBOZMORT-UHFFFAOYSA-N	-2	0	408.863	3.075	50	0		HGAARL
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000012605721	568871067	/nfs/dbraw/zinc/87/10/67/568871067.db2.gz	ZNZHVJHJFLPPAI-CHWSQXEVSA-N	-2	0	406.485	3.154	50	0		HGAARL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1C	ZINC000064843824	569107734	/nfs/dbraw/zinc/10/77/34/569107734.db2.gz	IUGGYUQEEHWSQG-ZDUSSCGKSA-N	-2	0	403.504	3.434	50	0		HGAARL
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000170623105	569249654	/nfs/dbraw/zinc/24/96/54/569249654.db2.gz	KESFZIFOGAVMKI-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000004522565	557563312	/nfs/dbraw/zinc/56/33/12/557563312.db2.gz	IKAOYKBYSTULCQ-BDXSIMOUSA-N	-2	0	416.474	3.346	50	0		HGAARL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(Cl)cc1Cl	ZINC000097139584	558996736	/nfs/dbraw/zinc/99/67/36/558996736.db2.gz	OVZCGHQMPJTYRA-UHFFFAOYSA-N	-2	0	418.254	3.208	50	0		HGAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)c1	ZINC000003328488	560591804	/nfs/dbraw/zinc/59/18/04/560591804.db2.gz	ZSDASNTVIFJMHX-UHFFFAOYSA-N	-2	0	424.478	3.158	50	0		HGAARL
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000013346031	560804810	/nfs/dbraw/zinc/80/48/10/560804810.db2.gz	HLLBESBOSINVHE-UHFFFAOYSA-N	-2	0	400.250	3.347	50	0		HGAARL
O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000012136849	560889469	/nfs/dbraw/zinc/88/94/69/560889469.db2.gz	JXHQMXXGUGHBFK-SXGWCWSVSA-N	-2	0	413.407	3.085	50	0		HGAARL
COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)c(C(=O)[O-])cc1OC(F)F	ZINC000048311893	568436951	/nfs/dbraw/zinc/43/69/51/568436951.db2.gz	XEVDYYZZUWCSJL-UHFFFAOYSA-N	-2	0	407.416	3.474	50	0		HGAARL
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)c1	ZINC000049547079	568451432	/nfs/dbraw/zinc/45/14/32/568451432.db2.gz	KMLIFEXQMGXIRY-INIZCTEOSA-N	-2	0	406.394	3.356	50	0		HGAARL
COc1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc(C(=O)[O-])c1OC	ZINC000095452396	568509425	/nfs/dbraw/zinc/50/94/25/568509425.db2.gz	KSQZXEYCXCKVDL-UHFFFAOYSA-N	-2	0	422.242	3.215	50	0		HGAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(F)(F)F)cc1	ZINC000095469148	568625466	/nfs/dbraw/zinc/62/54/66/568625466.db2.gz	OGLJDNWILOSUCB-UHFFFAOYSA-N	-2	0	411.361	3.390	50	0		HGAARL
O=C(c1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1)c1ccccc1[O-]	ZINC000003348833	568885126	/nfs/dbraw/zinc/88/51/26/568885126.db2.gz	JOSKZIZAKRYRLL-UHFFFAOYSA-N	-2	0	408.801	3.053	50	0		HGAARL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1C	ZINC000064843827	569107715	/nfs/dbraw/zinc/10/77/15/569107715.db2.gz	IUGGYUQEEHWSQG-CYBMUJFWSA-N	-2	0	403.504	3.434	50	0		HGAARL
CCCN(CCC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000064843764	569107732	/nfs/dbraw/zinc/10/77/32/569107732.db2.gz	ZXNVQMMZQJENBF-UHFFFAOYSA-N	-2	0	413.446	3.485	50	0		HGAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1	ZINC000170601023	569243045	/nfs/dbraw/zinc/24/30/45/569243045.db2.gz	JMMZMTQLHONDIR-LBPRGKRZSA-N	-2	0	411.863	3.254	50	0		HGAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000101363391	560792713	/nfs/dbraw/zinc/79/27/13/560792713.db2.gz	UPGCEOUJBIHTMY-JTHBVZDNSA-N	-2	0	423.472	3.213	50	0		HGAARL
CN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000035397353	569034866	/nfs/dbraw/zinc/03/48/66/569034866.db2.gz	OJUIPJFCNNGRKS-UHFFFAOYSA-N	-2	0	403.485	3.279	50	0		HGAARL
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000035397502	569034987	/nfs/dbraw/zinc/03/49/87/569034987.db2.gz	MSGUAAYIXHOWTB-UHFFFAOYSA-N	-2	0	413.446	3.485	50	0		HGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)cnc1N1CCCCCCC1	ZINC000035397608	569034990	/nfs/dbraw/zinc/03/49/90/569034990.db2.gz	QHPZZVLKBZRIDG-UHFFFAOYSA-N	-2	0	407.467	3.490	50	0		HGAARL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1	ZINC000026541412	558662982	/nfs/dbraw/zinc/66/29/82/558662982.db2.gz	MNZMFMBEPUWERV-UHFFFAOYSA-N	-2	0	412.471	3.167	50	0		HGAARL
O=c1[nH]c2ccccc2c([O-])c1C(c1cccnc1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000018223066	558834299	/nfs/dbraw/zinc/83/42/99/558834299.db2.gz	OLJMRTRHJNOSOS-UHFFFAOYSA-N	-2	0	411.417	3.356	50	0		HGAARL
COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000095963226	559089450	/nfs/dbraw/zinc/08/94/50/559089450.db2.gz	QWCBPSMSCQYURA-UHFFFAOYSA-N	-2	0	400.250	3.265	50	0		HGAARL
CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)[O-])C(=O)[O-])cc1	ZINC000095563304	568638395	/nfs/dbraw/zinc/63/83/95/568638395.db2.gz	HHXVEHSGEPQFRP-IFXJQAMLSA-N	-2	0	422.528	3.066	50	0		HGAARL
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000012605723	568871183	/nfs/dbraw/zinc/87/11/83/568871183.db2.gz	ZNZHVJHJFLPPAI-OLZOCXBDSA-N	-2	0	406.485	3.154	50	0		HGAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)sc1C(=O)[O-]	ZINC000037225802	569240854	/nfs/dbraw/zinc/24/08/54/569240854.db2.gz	MTOLFWIEOUMUPL-UHFFFAOYSA-N	-2	0	423.253	3.160	50	0		HGAARL
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1	ZINC000032586101	518447326	/nfs/dbraw/zinc/44/73/26/518447326.db2.gz	MTKFUPQBFKZBGE-UHFFFAOYSA-N	-2	0	404.263	3.212	50	0		HGAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCCC3)cc2)no1	ZINC000013253751	558527910	/nfs/dbraw/zinc/52/79/10/558527910.db2.gz	DNYJLCAGGKMWFG-UHFFFAOYSA-N	-2	0	421.475	3.148	50	0		HGAARL
O=C([O-])c1cc(-c2ccccc2C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)c1	ZINC000071714693	558907377	/nfs/dbraw/zinc/90/73/77/558907377.db2.gz	GJEKICYAPXHXSO-UHFFFAOYSA-N	-2	0	403.456	3.315	50	0		HGAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000100668390	559251358	/nfs/dbraw/zinc/25/13/58/559251358.db2.gz	UPGCEOUJBIHTMY-GGAORHGYSA-N	-2	0	423.472	3.213	50	0		HGAARL
Cc1ccccc1S(=O)(=O)[N-]c1cccc([N-]S(=O)(=O)c2ccccc2C)n1	ZINC000000682323	568461689	/nfs/dbraw/zinc/46/16/89/568461689.db2.gz	ZVXJRISHLXXVEN-UHFFFAOYSA-N	-2	0	417.512	3.300	50	0		HGAARL
COc1ccc(/C=C(C(=O)[O-])/C(=C/c2ccc(OC)c(OC)c2)C(=O)[O-])cc1OC	ZINC000001560125	569071559	/nfs/dbraw/zinc/07/15/59/569071559.db2.gz	RDNZVLBCRYBJGP-VULZFCBJSA-N	-2	0	414.410	3.357	50	0		HGAARL
Cn1nccc1[C@@H](CC(=O)[O-])c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21	ZINC000096221784	568705322	/nfs/dbraw/zinc/70/53/22/568705322.db2.gz	BMBMWYUKUXZGSV-OAHLLOKOSA-N	-2	0	406.394	3.211	50	0	biogenic	HGAARL
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000012605720	568871152	/nfs/dbraw/zinc/87/11/52/568871152.db2.gz	ZNZHVJHJFLPPAI-STQMWFEESA-N	-2	0	406.485	3.154	50	0		HGAARL
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000012605719	568871156	/nfs/dbraw/zinc/87/11/56/568871156.db2.gz	ZNZHVJHJFLPPAI-QWHCGFSZSA-N	-2	0	406.485	3.154	50	0		HGAARL
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1	ZINC000218102202	568925786	/nfs/dbraw/zinc/92/57/86/568925786.db2.gz	PWNSDLFZFUDWMI-CYBMUJFWSA-N	-2	0	408.362	3.149	50	0	biogenic	HGAARL
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1	ZINC000064843853	569107689	/nfs/dbraw/zinc/10/76/89/569107689.db2.gz	PCXISJKUYBPSDM-CQSZACIVSA-N	-2	0	419.503	3.216	50	0		HGAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1	ZINC000036392243	569167540	/nfs/dbraw/zinc/16/75/40/569167540.db2.gz	JQAAQDZSWRFAMO-UHFFFAOYSA-N	-2	0	410.451	3.116	50	0		HGAARL
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)[O-])c2)C3=O)cc1	ZINC000008916136	557814158	/nfs/dbraw/zinc/81/41/58/557814158.db2.gz	LCXGQEGNSZYDTG-UHFFFAOYSA-N	-2	0	415.357	3.115	50	0		HGAARL
Cc1cc(S(=O)(=O)[N-]c2ccc([S@](=O)C(F)(F)F)cc2)sc1C(=O)[O-]	ZINC000072312979	558838317	/nfs/dbraw/zinc/83/83/17/558838317.db2.gz	WWPKLAHQDGOYNJ-XMMPIXPASA-N	-2	0	413.420	3.183	50	0		HGAARL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000055131348	558873565	/nfs/dbraw/zinc/87/35/65/558873565.db2.gz	ASPBTSIICBEYIM-UHFFFAOYSA-N	-2	0	401.444	3.178	50	0		HGAARL
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)c1	ZINC000049547080	568451465	/nfs/dbraw/zinc/45/14/65/568451465.db2.gz	KMLIFEXQMGXIRY-MRXNPFEDSA-N	-2	0	406.394	3.356	50	0		HGAARL
CCCN(CCC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000064843767	569107705	/nfs/dbraw/zinc/10/77/05/569107705.db2.gz	VELNDCRRQBEUPZ-UHFFFAOYSA-N	-2	0	419.503	3.410	50	0		HGAARL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000079061828	569426460	/nfs/dbraw/zinc/42/64/60/569426460.db2.gz	VINKUTYRQUNRSW-UHFFFAOYSA-N	-2	0	407.444	3.134	50	0		HGAARL
Cc1nn(C)c(-c2n[n-]c(=S)n2-c2ccc(CC(=O)[O-])cc2)c1Br	ZINC000005811511	557675839	/nfs/dbraw/zinc/67/58/39/557675839.db2.gz	KZCKIDJBGPZBKY-UHFFFAOYSA-N	-2	0	408.281	3.028	50	0		HGAARL
Cc1nc(S(=O)(=O)[N-]c2cc(F)c(OC3CCCCC3)cc2C(=O)[O-])cn1C	ZINC000072301052	558750844	/nfs/dbraw/zinc/75/08/44/558750844.db2.gz	RFJLZTTXTOEVRE-UHFFFAOYSA-N	-2	0	411.455	3.078	50	0		HGAARL
CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c(C(=O)[O-])c1	ZINC000033007248	558827927	/nfs/dbraw/zinc/82/79/27/558827927.db2.gz	SGPRNJPMXYBDNO-UHFFFAOYSA-N	-2	0	422.503	3.439	50	0		HGAARL
O=c1[nH]c2ccccc2c([O-])c1C(c1ccncc1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000018240764	558834304	/nfs/dbraw/zinc/83/43/04/558834304.db2.gz	FHEJZTSQACPQBI-UHFFFAOYSA-N	-2	0	411.417	3.356	50	0		HGAARL
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1	ZINC000064843869	569107713	/nfs/dbraw/zinc/10/77/13/569107713.db2.gz	GTUNOIDBAQSOFP-CYBMUJFWSA-N	-2	0	417.487	3.020	50	0		HGAARL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccs1	ZINC000007409744	569237049	/nfs/dbraw/zinc/23/70/49/569237049.db2.gz	DJDKFMBRTDNVSP-UHFFFAOYSA-N	-2	0	412.489	3.489	50	0		HGAARL
CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)O[C@@H](C)C2	ZINC000013256357	569410335	/nfs/dbraw/zinc/41/03/35/569410335.db2.gz	HSYXGNBJUDMOQN-ZDUSSCGKSA-N	-2	0	405.472	3.227	50	0		HGAARL
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000032586854	518472443	/nfs/dbraw/zinc/47/24/43/518472443.db2.gz	XZRHYKRUAXEXSR-UHFFFAOYSA-N	-2	0	404.263	3.212	50	0		HGAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc1	ZINC000001513417	569009898	/nfs/dbraw/zinc/00/98/98/569009898.db2.gz	SHIRTAVQITWLKS-HZPDHXFCSA-N	-2	0	410.426	3.467	50	0		HGAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000006251418	569035316	/nfs/dbraw/zinc/03/53/16/569035316.db2.gz	IKAOYKBYSTULCQ-FZDBZEDMSA-N	-2	0	416.474	3.346	50	0		HGAARL
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000170593371	569241210	/nfs/dbraw/zinc/24/12/10/569241210.db2.gz	NHRZKWSIEZFQQC-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1	ZINC000032585531	521129516	/nfs/dbraw/zinc/12/95/16/521129516.db2.gz	HEDAYOVWIFEZTC-UHFFFAOYSA-N	-2	0	406.279	3.408	50	0		HGAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252694902	525952285	/nfs/dbraw/zinc/95/22/85/525952285.db2.gz	RQVGNTTVCVTBNI-HAQNSBGRSA-N	-2	0	407.850	3.010	50	0	biogenic	HGAARL
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)c(C(=O)[O-])c2)C3=O)cc1	ZINC000003146430	557451338	/nfs/dbraw/zinc/45/13/38/557451338.db2.gz	QVFRXJFBQMJDKX-UHFFFAOYSA-N	-2	0	419.345	3.382	50	0		HGAARL
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1C(=O)[O-]	ZINC000013262254	558528132	/nfs/dbraw/zinc/52/81/32/558528132.db2.gz	GGFGDXKIXJGNED-UHFFFAOYSA-N	-2	0	402.472	3.120	50	0		HGAARL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000033047698	558883558	/nfs/dbraw/zinc/88/35/58/558883558.db2.gz	ZCORDIIJHDIHAF-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
O=C([O-])CN1C(=O)c2cccc3c(Sc4ccccc4C(=O)[O-])ccc(c32)C1=O	ZINC000059687857	558938335	/nfs/dbraw/zinc/93/83/35/558938335.db2.gz	UPYXDSJYKRNITH-UHFFFAOYSA-N	-2	0	407.403	3.370	50	0		HGAARL
CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]2(CC(=O)[O-])C(=O)[O-])cc1	ZINC000096318872	568727285	/nfs/dbraw/zinc/72/72/85/568727285.db2.gz	HHXVEHSGEPQFRP-LIRRHRJNSA-N	-2	0	422.528	3.066	50	0		HGAARL
CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000089323072	569058494	/nfs/dbraw/zinc/05/84/94/569058494.db2.gz	YXDZONLEEATTGC-UHFFFAOYSA-N	-2	0	417.256	3.153	50	0		HGAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1	ZINC000170601029	569243076	/nfs/dbraw/zinc/24/30/76/569243076.db2.gz	MGTYIMYPPOKGMZ-LBPRGKRZSA-N	-2	0	411.863	3.254	50	0		HGAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1	ZINC000170601028	569243109	/nfs/dbraw/zinc/24/31/09/569243109.db2.gz	MGTYIMYPPOKGMZ-GFCCVEGCSA-N	-2	0	411.863	3.254	50	0		HGAARL
CCC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000009108786	132335744	/nfs/dbraw/zinc/33/57/44/132335744.db2.gz	NDRGTCKGBIKGFY-FOCLMDBBSA-N	-2	0	413.817	3.397	50	0		HGAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F)OCCCO2	ZINC000023873089	558578950	/nfs/dbraw/zinc/57/89/50/558578950.db2.gz	UPWFDRFUSCYXRZ-UHFFFAOYSA-N	-2	0	417.361	3.366	50	0		HGAARL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000047202311	560884422	/nfs/dbraw/zinc/88/44/22/560884422.db2.gz	ONGPAJHZAPIQJI-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(Cl)cc1Cl	ZINC000004148036	568946699	/nfs/dbraw/zinc/94/66/99/568946699.db2.gz	LCTRVSCADYNEFU-UHFFFAOYSA-N	-2	0	404.227	3.264	50	0		HGAARL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCCC2)cc1	ZINC000064843897	569107687	/nfs/dbraw/zinc/10/76/87/569107687.db2.gz	PCVYHDPWZWCYJH-UHFFFAOYSA-N	-2	0	403.504	3.379	50	0		HGAARL
O=C([O-])c1cnc(N2CCCCCCC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000064843995	569107852	/nfs/dbraw/zinc/10/78/52/569107852.db2.gz	STBOHJWYOPXFIW-UHFFFAOYSA-N	-2	0	407.467	3.490	50	0		HGAARL
O=C1Nc2c(c(=O)[nH]c(=S)n2Cc2ccccc2)C(C(F)(F)F)(C(F)(F)F)N1	ZINC000001059932	569277091	/nfs/dbraw/zinc/27/70/91/569277091.db2.gz	OYOGXFCHDYFHRQ-UHFFFAOYSA-N	-2	0	424.326	3.409	50	0		HGAARL
CCc1cc2c(cc1[O-])oc(COCC(=O)[O-])c(-c1nc3ccccc3n1C)c2=O	ZINC000020109652	568588492	/nfs/dbraw/zinc/58/84/92/568588492.db2.gz	ZHQOPCRBZJDVJM-UHFFFAOYSA-N	-2	0	408.410	3.216	50	0		HGAARL
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1	ZINC000012548392	568851643	/nfs/dbraw/zinc/85/16/43/568851643.db2.gz	YCUKIVQMRMHCPU-CVEARBPZSA-N	-2	0	400.456	3.093	50	0		HGAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)c1C	ZINC000012548690	568851821	/nfs/dbraw/zinc/85/18/21/568851821.db2.gz	UYLJTJZYKKJDFE-UHFFFAOYSA-N	-2	0	416.499	3.429	50	0		HGAARL
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000035296282	569027390	/nfs/dbraw/zinc/02/73/90/569027390.db2.gz	NIRKNIQUWPNLTB-CYBMUJFWSA-N	-2	0	404.488	3.331	50	0		HGAARL
Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000013059088	569408184	/nfs/dbraw/zinc/40/81/84/569408184.db2.gz	VUJBSUSIWVRVMA-UHFFFAOYSA-N	-2	0	424.478	3.424	50	0		HGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])N(Cc1ccccc1)C[C@@H]1CC=CCC1	ZINC000009183661	571234524	/nfs/dbraw/zinc/23/45/24/571234524.db2.gz	XRGNPSFFHAPXQZ-LJQANCHMSA-N	-2	0	415.426	3.254	50	0		HGAARL
CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[n-]c(=S)n(-c2ccccc2C)c1O	ZINC000100925369	560763242	/nfs/dbraw/zinc/76/32/42/560763242.db2.gz	GCBKXCUUYWWXEB-LJQANCHMSA-N	-2	0	407.495	3.403	50	0		HGAARL
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1	ZINC000095471410	568509407	/nfs/dbraw/zinc/50/94/07/568509407.db2.gz	SJOIPGHKUZDCPC-KGENOOAVSA-N	-2	0	414.417	3.425	50	0		HGAARL
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1	ZINC000095941736	568662412	/nfs/dbraw/zinc/66/24/12/568662412.db2.gz	GQHHZVDTEKUZHG-UHFFFAOYSA-N	-2	0	409.485	3.149	50	0		HGAARL
CCOC(=O)c1c(-c2ccccc2)csc1[N-][C@]([O-])(C(=O)OC)C(F)(F)F	ZINC000003191256	568860725	/nfs/dbraw/zinc/86/07/25/568860725.db2.gz	LVGKAKZQYDZHTG-INIZCTEOSA-N	-2	0	403.378	3.428	50	0		HGAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)c1C	ZINC000031776761	568931099	/nfs/dbraw/zinc/93/10/99/568931099.db2.gz	LWWJNWOYRZGQFI-UHFFFAOYSA-N	-2	0	410.879	3.158	50	0		HGAARL
O=C([O-])c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc1	ZINC000001513423	569009905	/nfs/dbraw/zinc/00/99/05/569009905.db2.gz	SHIRTAVQITWLKS-HOTGVXAUSA-N	-2	0	410.426	3.467	50	0		HGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cnc1N1CCCCCC1	ZINC000035397440	569034814	/nfs/dbraw/zinc/03/48/14/569034814.db2.gz	IASYUCHCBJJHKX-UHFFFAOYSA-N	-2	0	411.430	3.239	50	0		HGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])N(Cc1ccccc1)C[C@H]1CC=CCC1	ZINC000009183660	571234487	/nfs/dbraw/zinc/23/44/87/571234487.db2.gz	XRGNPSFFHAPXQZ-IBGZPJMESA-N	-2	0	415.426	3.254	50	0		HGAARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000032586259	523844331	/nfs/dbraw/zinc/84/43/31/523844331.db2.gz	KRKIIBORGPANQV-UHFFFAOYSA-N	-2	0	406.279	3.327	50	0		HGAARL
Cc1cc(-c2ccc(NC(=O)/C=C/C(=O)[O-])c(C)c2)ccc1NC(=O)/C=C/C(=O)[O-]	ZINC000001564246	557272512	/nfs/dbraw/zinc/27/25/12/557272512.db2.gz	DRGFNQWJORNQTJ-FIFLTTCUSA-N	-2	0	408.410	3.129	50	0		HGAARL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000095969438	568670719	/nfs/dbraw/zinc/67/07/19/568670719.db2.gz	GJOTYHJSHOYCSS-UHFFFAOYSA-N	-2	0	416.499	3.041	50	0		HGAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C(F)(F)F)c1	ZINC000057116742	568824192	/nfs/dbraw/zinc/82/41/92/568824192.db2.gz	PTIIOYFTYJOCDW-UHFFFAOYSA-N	-2	0	403.378	3.450	50	0		HGAARL
Cc1cc(S(=O)(=O)[N-]c2cccc(I)c2)sc1C(=O)[O-]	ZINC000037238987	569241567	/nfs/dbraw/zinc/24/15/67/569241567.db2.gz	ZAMWHWCAPAYRHM-UHFFFAOYSA-N	-2	0	423.253	3.160	50	0		HGAARL
O=C([N-]Cc1ccc(F)cc1)C(F)(F)C(F)(F)C(=O)[N-]Cc1ccc(F)cc1	ZINC000002757061	557380409	/nfs/dbraw/zinc/38/04/09/557380409.db2.gz	BIWILRVJMGVMRZ-UHFFFAOYSA-N	-2	0	404.310	3.168	50	0		HGAARL
CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1C(=O)[O-]	ZINC000033253358	558921581	/nfs/dbraw/zinc/92/15/81/558921581.db2.gz	KBTHCBUMMWODAO-UHFFFAOYSA-N	-2	0	422.503	3.439	50	0		HGAARL
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000035296283	569027432	/nfs/dbraw/zinc/02/74/32/569027432.db2.gz	NIRKNIQUWPNLTB-ZDUSSCGKSA-N	-2	0	404.488	3.331	50	0		HGAARL
O=C([O-])CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1	ZINC000032754917	527591212	/nfs/dbraw/zinc/59/12/12/527591212.db2.gz	BSELVBFJOUGURR-UHFFFAOYSA-N	-2	0	424.478	3.359	50	0		HGAARL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1cccs1)c1cccs1	ZINC000011851890	558289471	/nfs/dbraw/zinc/28/94/71/558289471.db2.gz	KQFBQYPBJUJUGR-UHFFFAOYSA-N	-2	0	400.528	3.411	50	0		HGAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc(C(=O)[O-])c1F	ZINC000089587178	569070753	/nfs/dbraw/zinc/07/07/53/569070753.db2.gz	WQWKMBFKZOHJFJ-UHFFFAOYSA-N	-2	0	404.213	3.101	50	0		HGAARL
COc1cc2[n-]c([O-])c(C(=O)Nc3cccc(Br)c3)c(=O)c2cc1OC	ZINC000009088543	571220132	/nfs/dbraw/zinc/22/01/32/571220132.db2.gz	PXNWQDPISJUOCT-UHFFFAOYSA-N	-2	0	419.231	3.266	50	0		HGAARL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000072301173	521017053	/nfs/dbraw/zinc/01/70/53/521017053.db2.gz	NSSCCCUGSICKJH-UHFFFAOYSA-N	-2	0	403.815	3.385	50	0		HGAARL
Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])c2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000014807740	525510630	/nfs/dbraw/zinc/51/06/30/525510630.db2.gz	RRSLNAOBOXXAPW-UHFFFAOYSA-N	-2	0	411.863	3.407	50	0		HGAARL
O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000000754382	557076154	/nfs/dbraw/zinc/07/61/54/557076154.db2.gz	RMOLUBILWDUWRW-UHFFFAOYSA-N	-2	0	400.387	3.086	50	0		HGAARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O	ZINC000008431017	557788450	/nfs/dbraw/zinc/78/84/50/557788450.db2.gz	HMHCAARMFSEIIZ-GSVOUGTGSA-N	-2	0	415.012	3.214	50	0		HGAARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O	ZINC000008431015	557788494	/nfs/dbraw/zinc/78/84/94/557788494.db2.gz	HMHCAARMFSEIIZ-VKHMYHEASA-N	-2	0	415.012	3.214	50	0		HGAARL
O=S(=O)(c1cc(Br)ccc1[O-])c1cc(Br)ccc1[O-]	ZINC000001587803	559030295	/nfs/dbraw/zinc/03/02/95/559030295.db2.gz	NZPRBTZJWXINLY-UHFFFAOYSA-N	-2	0	408.067	3.456	50	0		HGAARL
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000058433886	568699697	/nfs/dbraw/zinc/69/96/97/568699697.db2.gz	GKXBHZNSSXYVME-UHFFFAOYSA-N	-2	0	418.240	3.486	50	0		HGAARL
Cn1nccc1[C@H](CC(=O)[O-])c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21	ZINC000096221785	568705238	/nfs/dbraw/zinc/70/52/38/568705238.db2.gz	BMBMWYUKUXZGSV-HNNXBMFYSA-N	-2	0	406.394	3.211	50	0	biogenic	HGAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCC1	ZINC000012507868	568839929	/nfs/dbraw/zinc/83/99/29/568839929.db2.gz	HEJRNTMRYZPCTR-UHFFFAOYSA-N	-2	0	402.472	3.166	50	0		HGAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCCO2	ZINC000013090213	569408859	/nfs/dbraw/zinc/40/88/59/569408859.db2.gz	ATXBSPVHADZIPO-UHFFFAOYSA-N	-2	0	404.227	3.264	50	0		HGAARL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc(OC)c1	ZINC000032586193	522753799	/nfs/dbraw/zinc/75/37/99/522753799.db2.gz	LBNRDSQRBPZWQG-UHFFFAOYSA-N	-2	0	422.278	3.027	50	0		HGAARL
O=C([O-])Cn1c(CCCCc2nc3ccccc3n2CC(=O)[O-])nc2ccccc21	ZINC000004535247	557564222	/nfs/dbraw/zinc/56/42/22/557564222.db2.gz	IXOTYZBGMPXQDA-UHFFFAOYSA-N	-2	0	406.442	3.121	50	0		HGAARL
COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000009002240	557818597	/nfs/dbraw/zinc/81/85/97/557818597.db2.gz	CAWGQTNRMQBFQQ-UHFFFAOYSA-N	-2	0	400.250	3.265	50	0		HGAARL
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)ccc2F)cc1OC(F)F	ZINC000040115200	568619991	/nfs/dbraw/zinc/61/99/91/568619991.db2.gz	FRIALNFLWSKPCM-UHFFFAOYSA-N	-2	0	409.313	3.074	50	0		HGAARL
CCCN(CCC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000064472382	569063565	/nfs/dbraw/zinc/06/35/65/569063565.db2.gz	VAEUNFYRXSOZRG-UHFFFAOYSA-N	-2	0	407.492	3.216	50	0		HGAARL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1	ZINC000064843839	569107696	/nfs/dbraw/zinc/10/76/96/569107696.db2.gz	SPSGEMTXCQNSEO-CQSZACIVSA-N	-2	0	403.504	3.379	50	0		HGAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1	ZINC000007729034	569303516	/nfs/dbraw/zinc/30/35/16/569303516.db2.gz	NTDIQKCPPTUILI-UHFFFAOYSA-N	-2	0	411.361	3.390	50	0		HGAARL
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000003189811	557454292	/nfs/dbraw/zinc/45/42/92/557454292.db2.gz	BRJNFERKOINKQG-UHFFFAOYSA-N	-2	0	400.250	3.347	50	0		HGAARL
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000013939740	558604015	/nfs/dbraw/zinc/60/40/15/558604015.db2.gz	MJVKQQAOMQBSBK-OVCLIPMQSA-N	-2	0	416.817	3.196	50	0		HGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCSCC1	ZINC000058358242	558921968	/nfs/dbraw/zinc/92/19/68/558921968.db2.gz	SGNXMNYCEVLQNQ-UHFFFAOYSA-N	-2	0	414.455	3.017	50	0		HGAARL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl	ZINC000095471520	568509500	/nfs/dbraw/zinc/50/95/00/568509500.db2.gz	GJINMEYXSFFBRM-JYRVWZFOSA-N	-2	0	420.208	3.270	50	0		HGAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c1C	ZINC000012548601	568851748	/nfs/dbraw/zinc/85/17/48/568851748.db2.gz	NLVOTRXVJLYXMQ-UHFFFAOYSA-N	-2	0	418.500	3.082	50	0		HGAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000004575285	568925062	/nfs/dbraw/zinc/92/50/62/568925062.db2.gz	IKAOYKBYSTULCQ-WNRNVDISSA-N	-2	0	416.474	3.346	50	0		HGAARL
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1	ZINC000064843729	569107728	/nfs/dbraw/zinc/10/77/28/569107728.db2.gz	QGCKDSAKXPBBJD-UHFFFAOYSA-N	-2	0	417.487	3.020	50	0		HGAARL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C	ZINC000014097353	569258636	/nfs/dbraw/zinc/25/86/36/569258636.db2.gz	ATGNFCIMUPRKGA-UHFFFAOYSA-N	-2	0	400.250	3.265	50	0		HGAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)c1Cl	ZINC000253420320	569367829	/nfs/dbraw/zinc/36/78/29/569367829.db2.gz	HLBYQSFKMIGFMY-UHFFFAOYSA-N	-2	0	410.814	3.072	50	0		HGAARL
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000032586482	521554081	/nfs/dbraw/zinc/55/40/81/521554081.db2.gz	ABOTXIBOEYKHSK-UHFFFAOYSA-N	-2	0	406.279	3.408	50	0		HGAARL
Cc1cc(S(=O)(=O)[N-]c2ccc([S@@](=O)C(F)(F)F)cc2)sc1C(=O)[O-]	ZINC000072312978	558838315	/nfs/dbraw/zinc/83/83/15/558838315.db2.gz	WWPKLAHQDGOYNJ-DEOSSOPVSA-N	-2	0	413.420	3.183	50	0		HGAARL
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000247376311	559035989	/nfs/dbraw/zinc/03/59/89/559035989.db2.gz	IKAOYKBYSTULCQ-XMTFNYHQSA-N	-2	0	416.474	3.346	50	0		HGAARL
O=C(c1n[nH]nc1C(F)(F)F)c1cc(Br)cc(Br)c1[O-]	ZINC000101383570	560793732	/nfs/dbraw/zinc/79/37/32/560793732.db2.gz	QPCIJHPMQJUQTH-UHFFFAOYSA-N	-2	0	414.963	3.285	50	0		HGAARL
CN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O	ZINC000101403789	560793782	/nfs/dbraw/zinc/79/37/82/560793782.db2.gz	QVRMHVHZCLXRQY-SEKJBOIESA-N	-2	0	401.422	3.223	50	0		HGAARL
CN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-]	ZINC000035397360	569034821	/nfs/dbraw/zinc/03/48/21/569034821.db2.gz	AOCKZRFOLZGVPE-UHFFFAOYSA-N	-2	0	415.446	3.356	50	0		HGAARL
CCN(CC)c1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-]	ZINC000035397657	569035005	/nfs/dbraw/zinc/03/50/05/569035005.db2.gz	IVDJSPBSBRLYMD-UHFFFAOYSA-N	-2	0	413.883	3.089	50	0		HGAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1C	ZINC000054294889	569070038	/nfs/dbraw/zinc/07/00/38/569070038.db2.gz	MQFOEDFNKKNIAD-UHFFFAOYSA-N	-2	0	414.277	3.194	50	0		HGAARL
CCCCN(CC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000064843943	569107719	/nfs/dbraw/zinc/10/77/19/569107719.db2.gz	QOIMAXJRYRDCQR-UHFFFAOYSA-N	-2	0	407.492	3.216	50	0		HGAARL
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000170623104	569249670	/nfs/dbraw/zinc/24/96/70/569249670.db2.gz	NWJBAQZBUIQIMD-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000003194127	557455009	/nfs/dbraw/zinc/45/50/09/557455009.db2.gz	UWELZVDJGAQVIM-UHFFFAOYSA-N	-2	0	400.250	3.347	50	0		HGAARL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1	ZINC000058377262	558922591	/nfs/dbraw/zinc/92/25/91/558922591.db2.gz	LDTKQANLDNBNHZ-UHFFFAOYSA-N	-2	0	400.250	3.271	50	0		HGAARL
CCCCCn1c2ccccc2c([O-])c(C2=Nc3ccccc3S(=O)(=O)[N-]2)c1=O	ZINC000100504349	559135890	/nfs/dbraw/zinc/13/58/90/559135890.db2.gz	APCOFTXIYFPDTP-UHFFFAOYSA-N	-2	0	411.483	3.268	50	0		HGAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000017823677	560728987	/nfs/dbraw/zinc/72/89/87/560728987.db2.gz	UPGCEOUJBIHTMY-FYYLOGMGSA-N	-2	0	423.472	3.213	50	0		HGAARL
O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1	ZINC000095976118	568672899	/nfs/dbraw/zinc/67/28/99/568672899.db2.gz	FZETZSQSFIIDJF-UHFFFAOYSA-N	-2	0	408.863	3.043	50	0		HGAARL
COc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000055688614	568781743	/nfs/dbraw/zinc/78/17/43/568781743.db2.gz	CSGNGSLZAXZKMH-UHFFFAOYSA-N	-2	0	406.279	3.327	50	0		HGAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)c1	ZINC000012526241	568843085	/nfs/dbraw/zinc/84/30/85/568843085.db2.gz	WGBLTRVOJZLVBA-UHFFFAOYSA-N	-2	0	410.451	3.116	50	0		HGAARL
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(C(=O)[O-])cc1	ZINC000218102127	568925798	/nfs/dbraw/zinc/92/57/98/568925798.db2.gz	PWNSDLFZFUDWMI-ZDUSSCGKSA-N	-2	0	408.362	3.149	50	0	biogenic	HGAARL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCCCCCC2)cc1	ZINC000064843998	569107822	/nfs/dbraw/zinc/10/78/22/569107822.db2.gz	BSIUWFQPLAQEGZ-UHFFFAOYSA-N	-2	0	419.503	3.360	50	0		HGAARL
CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)O[C@H](C)C2	ZINC000013256355	569410290	/nfs/dbraw/zinc/41/02/90/569410290.db2.gz	HSYXGNBJUDMOQN-CYBMUJFWSA-N	-2	0	405.472	3.227	50	0		HGAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl)OCCO2	ZINC000023268971	558547133	/nfs/dbraw/zinc/54/71/33/558547133.db2.gz	KADKNUZAMOZQGF-UHFFFAOYSA-N	-2	0	410.256	3.325	50	0		HGAARL
O=c1[nH]c2ccccc2c([O-])c1C(c1ccccn1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000018223064	558834273	/nfs/dbraw/zinc/83/42/73/558834273.db2.gz	APFDPPRPERYZQV-UHFFFAOYSA-N	-2	0	411.417	3.356	50	0		HGAARL
CCOc1ccc(Br)cc1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004649256	558865833	/nfs/dbraw/zinc/86/58/33/558865833.db2.gz	JEMWWDLDUHVODV-UHFFFAOYSA-N	-2	0	408.204	3.497	50	0		HGAARL
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002474868	568773784	/nfs/dbraw/zinc/77/37/84/568773784.db2.gz	SLLDWEXGUZSNEX-UHFFFAOYSA-N	-2	0	415.357	3.115	50	0		HGAARL
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br	ZINC000089272096	569053875	/nfs/dbraw/zinc/05/38/75/569053875.db2.gz	HIGBCUUJZWHCOE-UHFFFAOYSA-N	-2	0	418.240	3.486	50	0		HGAARL
O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1	ZINC000245245708	569055417	/nfs/dbraw/zinc/05/54/17/569055417.db2.gz	GGMRDPNNDBIXGV-QHAWAJNXSA-N	-2	0	414.417	3.436	50	0		HGAARL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000079061846	569426407	/nfs/dbraw/zinc/42/64/07/569426407.db2.gz	VTLCDLBKHGOPFH-UHFFFAOYSA-N	-2	0	407.444	3.136	50	0		HGAARL
CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2c1	ZINC000034864610	558785888	/nfs/dbraw/zinc/78/58/88/558785888.db2.gz	QZNCKMCKDKZJLA-UHFFFAOYSA-N	-2	0	408.457	3.203	50	0		HGAARL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000001004594	558836147	/nfs/dbraw/zinc/83/61/47/558836147.db2.gz	BWJPOOFMWGBFCA-PDGQHHTCSA-N	-2	0	418.478	3.026	50	0		HGAARL
CCOC(=O)C(c1c([O-])c2ccccc2oc1=O)c1c([O-])c2ccccc2oc1=O	ZINC000095564733	559087305	/nfs/dbraw/zinc/08/73/05/559087305.db2.gz	JCLHQFUTFHUXNN-UHFFFAOYSA-N	-2	0	408.362	3.006	50	0	in-man	HGAARL
CCOC(=O)c1[n-]c(-c2cccs2)nc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000033435922	568514661	/nfs/dbraw/zinc/51/46/61/568514661.db2.gz	HSPUEUDBOBAXSB-UHFFFAOYSA-N	-2	0	407.473	3.124	50	0		HGAARL
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1	ZINC000012548389	568851685	/nfs/dbraw/zinc/85/16/85/568851685.db2.gz	YCUKIVQMRMHCPU-JKSUJKDBSA-N	-2	0	400.456	3.093	50	0		HGAARL
CCOC(=O)c1c(-c2ccccc2)csc1[N-][C@@]([O-])(C(=O)OC)C(F)(F)F	ZINC000003191254	568860731	/nfs/dbraw/zinc/86/07/31/568860731.db2.gz	LVGKAKZQYDZHTG-MRXNPFEDSA-N	-2	0	403.378	3.428	50	0		HGAARL
CC1CCN(c2ncc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000035397339	569034809	/nfs/dbraw/zinc/03/48/09/569034809.db2.gz	BQPATZFAAHVFQA-UHFFFAOYSA-N	-2	0	409.895	3.470	50	0		HGAARL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1C	ZINC000064843706	569107678	/nfs/dbraw/zinc/10/76/78/569107678.db2.gz	FKXRLPRAFOOEKT-UHFFFAOYSA-N	-2	0	403.504	3.434	50	0		HGAARL
O=C([O-])CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002583240	557358323	/nfs/dbraw/zinc/35/83/23/557358323.db2.gz	YKNUYRWJAGKPHE-SFHVURJKSA-N	-2	0	415.467	3.186	50	0		HGAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)c1C	ZINC000013079186	558512461	/nfs/dbraw/zinc/51/24/61/558512461.db2.gz	FTVYICATDYRPLW-UHFFFAOYSA-N	-2	0	416.499	3.475	50	0		HGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1N1CCSCC1	ZINC000058404387	558924397	/nfs/dbraw/zinc/92/43/97/558924397.db2.gz	URIUFGXPPDSPFX-UHFFFAOYSA-N	-2	0	414.455	3.017	50	0		HGAARL
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000247376296	559036009	/nfs/dbraw/zinc/03/60/09/559036009.db2.gz	IKAOYKBYSTULCQ-XLAORIBOSA-N	-2	0	416.474	3.346	50	0		HGAARL
O=C([O-])c1ccccc1C(=O)Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000390822366	569070076	/nfs/dbraw/zinc/07/00/76/569070076.db2.gz	MPUQSEQBOWCKMR-UHFFFAOYSA-N	-2	0	402.453	3.068	50	0		HGAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1	ZINC000170601022	569243086	/nfs/dbraw/zinc/24/30/86/569243086.db2.gz	JMMZMTQLHONDIR-GFCCVEGCSA-N	-2	0	411.863	3.254	50	0		HGAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1	ZINC000007708765	569301542	/nfs/dbraw/zinc/30/15/42/569301542.db2.gz	OPTNOTHAONUWQK-UHFFFAOYSA-N	-2	0	414.439	3.017	50	0		HGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])N(Cc1ccccc1)Cc1ccccc1	ZINC000009134459	571229297	/nfs/dbraw/zinc/22/92/97/571229297.db2.gz	NTCXVEKDMVYQLY-UHFFFAOYSA-N	-2	0	411.394	3.097	50	0		HGAARL
Cc1ccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1	ZINC000000653388	557039857	/nfs/dbraw/zinc/03/98/57/557039857.db2.gz	YEHXRPROGPJEEI-UHFFFAOYSA-N	-2	0	417.512	3.300	50	0		HGAARL
O=C([O-])CCC(=O)Nc1cccc(Oc2cccc(NC(=O)CCC(=O)[O-])c2)c1	ZINC000003177179	558780357	/nfs/dbraw/zinc/78/03/57/558780357.db2.gz	YBFAJGGGHOSVGG-UHFFFAOYSA-N	-2	0	400.387	3.086	50	0		HGAARL
CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1C(=O)[O-]	ZINC000033253641	558921727	/nfs/dbraw/zinc/92/17/27/558921727.db2.gz	SAMGYECKTSMWFO-UHFFFAOYSA-N	-2	0	408.476	3.049	50	0		HGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1N1CCSCC1	ZINC000058364445	558921874	/nfs/dbraw/zinc/92/18/74/558921874.db2.gz	IKHNZJRZZFBKND-UHFFFAOYSA-N	-2	0	414.455	3.017	50	0		HGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1cc(C(F)(F)F)ccc1Cl	ZINC000009306431	560211191	/nfs/dbraw/zinc/21/11/91/560211191.db2.gz	JQGAEOCOPMLHLZ-UHFFFAOYSA-N	-2	0	409.684	3.179	50	0	in-vitro	HGAARL
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000047202361	560884420	/nfs/dbraw/zinc/88/44/20/560884420.db2.gz	ZPUJIVTWNUPTAR-UHFFFAOYSA-N	-2	0	418.240	3.486	50	0		HGAARL
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br	ZINC000096011301	568683981	/nfs/dbraw/zinc/68/39/81/568683981.db2.gz	MPRVPPMVLNOPAM-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc1	ZINC000001513412	569009913	/nfs/dbraw/zinc/00/99/13/569009913.db2.gz	SHIRTAVQITWLKS-IYBDPMFKSA-N	-2	0	410.426	3.467	50	0		HGAARL
CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@]2(CC(=O)[O-])C(=O)[O-])cc1	ZINC000096318871	568727241	/nfs/dbraw/zinc/72/72/41/568727241.db2.gz	HHXVEHSGEPQFRP-KUHUBIRLSA-N	-2	0	422.528	3.066	50	0		HGAARL
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1	ZINC000012548390	568851679	/nfs/dbraw/zinc/85/16/79/568851679.db2.gz	YCUKIVQMRMHCPU-HOTGVXAUSA-N	-2	0	400.456	3.093	50	0		HGAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1	ZINC000054294792	569070065	/nfs/dbraw/zinc/07/00/65/569070065.db2.gz	AMCFNBIDAZFSOR-UHFFFAOYSA-N	-2	0	414.277	3.194	50	0		HGAARL
O=C1CN(c2ccc(NS(=O)(=O)c3cc(Cl)ccc3[O-])cc2Cl)CCN1	ZINC000328589814	452922012	/nfs/dbraw/zinc/92/20/12/452922012.db2.gz	IGVUDKRVZKHOKL-UHFFFAOYSA-N	-2	0	416.286	3.276	50	0		HGAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(Cc2cccc3cccnc32)n1	ZINC000058300302	558917605	/nfs/dbraw/zinc/91/76/05/558917605.db2.gz	FIBFNRXUTMYJHG-UHFFFAOYSA-N	-2	0	422.466	3.287	50	0		HGAARL
COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1	ZINC000033007144	568510187	/nfs/dbraw/zinc/51/01/87/568510187.db2.gz	IYVTUVAGDIXWEC-UHFFFAOYSA-N	-2	0	404.488	3.431	50	0		HGAARL
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1	ZINC000012548391	568851648	/nfs/dbraw/zinc/85/16/48/568851648.db2.gz	YCUKIVQMRMHCPU-HZPDHXFCSA-N	-2	0	400.456	3.093	50	0		HGAARL
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1OC	ZINC000012583172	568865380	/nfs/dbraw/zinc/86/53/80/568865380.db2.gz	BVSXRRIDKMZGMO-UHFFFAOYSA-N	-2	0	419.814	3.004	50	0		HGAARL
CCn1cc(S(=O)(=O)[N-]c2ccc(N3CCc4ccccc43)cc2C(=O)[O-])cn1	ZINC000089309922	569058414	/nfs/dbraw/zinc/05/84/14/569058414.db2.gz	JRDVFYZBGJJQFE-UHFFFAOYSA-N	-2	0	412.471	3.096	50	0		HGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1cc(Cl)c(Cl)cc1Cl	ZINC000009419871	571256744	/nfs/dbraw/zinc/25/67/44/571256744.db2.gz	ZWPCHHMEZLFNKQ-UHFFFAOYSA-N	-2	0	410.577	3.467	50	0		HGAARL
CCN1C(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-]	ZINC000003776693	557498520	/nfs/dbraw/zinc/49/85/20/557498520.db2.gz	OIDMNXKQVHXWLV-HNNXBMFYSA-N	-2	0	407.850	3.408	50	0		HGAARL
CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-]	ZINC000003993547	557504215	/nfs/dbraw/zinc/50/42/15/557504215.db2.gz	OIDMNXKQVHXWLV-OAHLLOKOSA-N	-2	0	407.850	3.408	50	0		HGAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)c1	ZINC000024346314	560628653	/nfs/dbraw/zinc/62/86/53/560628653.db2.gz	FOSMPBCSZJXERD-UHFFFAOYSA-N	-2	0	418.500	3.232	50	0		HGAARL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-]	ZINC000058364151	568699413	/nfs/dbraw/zinc/69/94/13/568699413.db2.gz	KCZOYJDUKWNRQX-UHFFFAOYSA-N	-2	0	400.250	3.265	50	0		HGAARL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1	ZINC000064843836	569107707	/nfs/dbraw/zinc/10/77/07/569107707.db2.gz	SPSGEMTXCQNSEO-AWEZNQCLSA-N	-2	0	403.504	3.379	50	0		HGAARL
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000170593373	569241144	/nfs/dbraw/zinc/24/11/44/569241144.db2.gz	WRIIXSGEFOWXST-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1OC	ZINC000032586153	524686073	/nfs/dbraw/zinc/68/60/73/524686073.db2.gz	ATXZVAXZJLUWCE-UHFFFAOYSA-N	-2	0	422.278	3.027	50	0		HGAARL
COc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000015514600	558742172	/nfs/dbraw/zinc/74/21/72/558742172.db2.gz	PSSBUKQCHVKYNR-UHFFFAOYSA-N	-2	0	404.213	3.096	50	0		HGAARL
CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[n-]c(=S)n(-c2ccccc2C)c1O	ZINC000100925365	560763178	/nfs/dbraw/zinc/76/31/78/560763178.db2.gz	GCBKXCUUYWWXEB-IBGZPJMESA-N	-2	0	407.495	3.403	50	0		HGAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1I	ZINC000013300741	560805860	/nfs/dbraw/zinc/80/58/60/560805860.db2.gz	QPZVLHWEPMONPJ-UHFFFAOYSA-N	-2	0	423.253	3.160	50	0		HGAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1C	ZINC000013361032	560806046	/nfs/dbraw/zinc/80/60/46/560806046.db2.gz	LJRPSPRNEZICLF-UHFFFAOYSA-N	-2	0	400.250	3.265	50	0		HGAARL
CCCCn1c2ccccc2c([O-])c(C(=O)NC2C(=O)c3ccccc3N=C2[O-])c1=O	ZINC000005883667	568828156	/nfs/dbraw/zinc/82/81/56/568828156.db2.gz	LDASYOVQSDPEDS-UHFFFAOYSA-N	-2	0	419.437	3.307	50	0		HGAARL
COc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)cc(C(=O)[O-])c1OC	ZINC000083921303	568925648	/nfs/dbraw/zinc/92/56/48/568925648.db2.gz	ZJAFDGGCKQUNID-UHFFFAOYSA-N	-2	0	423.491	3.364	50	0		HGAARL
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl	ZINC000089587169	569070769	/nfs/dbraw/zinc/07/07/69/569070769.db2.gz	QPAOWKFIKVJQRJ-UHFFFAOYSA-N	-2	0	412.851	3.114	50	0		HGAARL
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1	ZINC000064843872	569107723	/nfs/dbraw/zinc/10/77/23/569107723.db2.gz	GTUNOIDBAQSOFP-ZDUSSCGKSA-N	-2	0	417.487	3.020	50	0		HGAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000002114030	569284255	/nfs/dbraw/zinc/28/42/55/569284255.db2.gz	HZVGPXGUCCXZIQ-UHFFFAOYSA-N	-2	0	421.877	3.400	50	0	biogenic	HGAARL
O=c1oc2ccccc2c([O-])c1C(c1cn[nH]c1)c1c(=O)oc2ccccc2c1[O-]	ZINC000004556432	558725940	/nfs/dbraw/zinc/72/59/40/558725940.db2.gz	GEVZRBHJCYBONJ-UHFFFAOYSA-N	-2	0	402.362	3.214	50	0		HGAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(Br)c1	ZINC000097150734	558997239	/nfs/dbraw/zinc/99/72/39/558997239.db2.gz	BCZQTLNGDZBGPU-UHFFFAOYSA-N	-2	0	407.245	3.496	50	0		HGAARL
COc1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])cc1OC	ZINC000013267714	560804901	/nfs/dbraw/zinc/80/49/01/560804901.db2.gz	ICZMENGLBDIEFM-UHFFFAOYSA-N	-2	0	422.278	3.027	50	0		HGAARL
CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@]2(CC(=O)[O-])C(=O)[O-])cc1	ZINC000096318870	568727239	/nfs/dbraw/zinc/72/72/39/568727239.db2.gz	HHXVEHSGEPQFRP-AUUYWEPGSA-N	-2	0	422.528	3.066	50	0		HGAARL
Cn1nccc1C(c1c([O-])c2ccccc2oc1=O)c1c([O-])c2ccccc2oc1=O	ZINC000227173375	568828509	/nfs/dbraw/zinc/82/85/09/568828509.db2.gz	KHBFFKLMUUTPJU-UHFFFAOYSA-N	-2	0	416.389	3.224	50	0		HGAARL
CCOC(=O)c1c(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])sc2c1CCCC2	ZINC000004853050	557606655	/nfs/dbraw/zinc/60/66/55/557606655.db2.gz	CSOUBZAABYRNDW-UHFFFAOYSA-N	-2	0	417.439	3.452	50	0		HGAARL
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(SC)c2)c1OC	ZINC000006008443	568835084	/nfs/dbraw/zinc/83/50/84/568835084.db2.gz	YBKGAJRUMXRWMP-FPLPWBNLSA-N	-2	0	409.485	3.324	50	0		HGAARL
COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1C(=O)[O-]	ZINC000083915578	568925267	/nfs/dbraw/zinc/92/52/67/568925267.db2.gz	RTDXMUMPMWZZCG-UHFFFAOYSA-N	-2	0	421.656	3.005	50	0		HGAARL
COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br	ZINC000089420391	569060117	/nfs/dbraw/zinc/06/01/17/569060117.db2.gz	PWTJLMKBMNKRDW-UHFFFAOYSA-N	-2	0	418.240	3.234	50	0		HGAARL
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1	ZINC000064843849	569107681	/nfs/dbraw/zinc/10/76/81/569107681.db2.gz	PCXISJKUYBPSDM-AWEZNQCLSA-N	-2	0	419.503	3.216	50	0		HGAARL
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1	ZINC000170650710	569292417	/nfs/dbraw/zinc/29/24/17/569292417.db2.gz	SFUCIJYUXQDRMB-UHFFFAOYSA-N	-2	0	405.863	3.392	50	0		HGAARL
CCOc1ccc2[nH]c(SCC(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc2c1	ZINC000006000423	557683765	/nfs/dbraw/zinc/68/37/65/557683765.db2.gz	OPGWEOREFQXOJL-UHFFFAOYSA-N	-2	0	415.427	3.089	50	0		HGAARL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1	ZINC000013079281	558512387	/nfs/dbraw/zinc/51/23/87/558512387.db2.gz	UOTJFNUHACIQQF-UHFFFAOYSA-N	-2	0	416.499	3.131	50	0		HGAARL
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000007053721	560749464	/nfs/dbraw/zinc/74/94/64/560749464.db2.gz	ZZBTYTFOWUXGBL-UHFFFAOYSA-N	-2	0	400.250	3.347	50	0		HGAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1	ZINC000101363390	560792728	/nfs/dbraw/zinc/79/27/28/560792728.db2.gz	UPGCEOUJBIHTMY-GMAHTHKFSA-N	-2	0	423.472	3.213	50	0		HGAARL
CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)s1	ZINC000095995706	568678681	/nfs/dbraw/zinc/67/86/81/568678681.db2.gz	KVLLOCZCHBOFOX-UHFFFAOYSA-N	-2	0	423.541	3.307	50	0		HGAARL
Cc1cc(I)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000035038001	568835848	/nfs/dbraw/zinc/83/58/48/568835848.db2.gz	SSQNRBZNWLUMMQ-UHFFFAOYSA-N	-2	0	423.253	3.160	50	0		HGAARL
COc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000012875752	569013553	/nfs/dbraw/zinc/01/35/53/569013553.db2.gz	PKKUGXDNSSUWGF-UHFFFAOYSA-N	-2	0	418.240	3.404	50	0		HGAARL
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000035397394	569034860	/nfs/dbraw/zinc/03/48/60/569034860.db2.gz	FOOYYHZMRRVJHA-UHFFFAOYSA-N	-2	0	413.446	3.485	50	0		HGAARL