smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCO)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000763694589	897755467	/nfs/dbraw/zinc/75/54/67/897755467.db2.gz	HMHBYFPGNXSDRN-UHFFFAOYSA-N	-2	1	356.425	1.319	20	10		FDCDML
COCCOCCOCCS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000844663004	948290327	/nfs/dbraw/zinc/29/03/27/948290327.db2.gz	IBHWZENHJDXMMK-UHFFFAOYSA-N	-2	1	371.814	1.606	20	10		FDCDML
O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000775285752	967151704	/nfs/dbraw/zinc/15/17/04/967151704.db2.gz	AKNYWYKIWHDOMD-UHFFFAOYSA-N	-2	1	350.308	1.772	20	10		FDCDML
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000881446392	979947682	/nfs/dbraw/zinc/94/76/82/979947682.db2.gz	HVIFMMWNOZNQRE-ZDUSSCGKSA-N	-2	1	350.268	1.520	20	10		FDCDML
COCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267495699	673310108	/nfs/dbraw/zinc/31/01/08/673310108.db2.gz	HGJMMYAWHSXVOW-UHFFFAOYSA-N	-2	1	370.452	1.973	20	10		FDCDML
O=C(NC1(CO)CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000770095790	929840523	/nfs/dbraw/zinc/84/05/23/929840523.db2.gz	FFJCTMODTOGIFK-UHFFFAOYSA-N	-2	1	368.436	1.509	20	10		FDCDML
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1F	ZINC000776432844	978748229	/nfs/dbraw/zinc/74/82/29/978748229.db2.gz	HGVUYMZYACDBKI-UHFFFAOYSA-N	-2	1	369.326	1.817	20	10		FDCDML
O=C([O-])c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1O	ZINC000833300945	601863670	/nfs/dbraw/zinc/86/36/70/601863670.db2.gz	QTHRZYLEMQWJHA-UHFFFAOYSA-N	-2	1	373.289	1.868	20	10		FDCDML
O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S	ZINC000823387518	606392674	/nfs/dbraw/zinc/39/26/74/606392674.db2.gz	NPSKDEUMOURVJY-CLTKARDFSA-N	-2	1	353.410	1.214	20	10		FDCDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001185928625	964222498	/nfs/dbraw/zinc/22/24/98/964222498.db2.gz	JKCFESNUWQNXKU-UHFFFAOYSA-N	-2	1	365.363	1.266	20	10		FDCDML
CC(C)CN1C(=O)C(=CNCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC001591349286	992332921	/nfs/dbraw/zinc/33/29/21/992332921.db2.gz	INXZHIHHWKMIGC-MDWZMJQESA-N	-2	1	361.423	1.258	20	10		FDCDML
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC	ZINC001193061463	969466464	/nfs/dbraw/zinc/46/64/64/969466464.db2.gz	XWNCSKTZCNLDPQ-UHFFFAOYSA-N	-2	1	363.363	1.401	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198782498	973467581	/nfs/dbraw/zinc/46/75/81/973467581.db2.gz	KFZUMIWWPHSVFN-UHFFFAOYSA-N	-3	1	369.326	1.817	20	10		FDCDML
O=C([O-])CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S	ZINC000823387029	599380589	/nfs/dbraw/zinc/38/05/89/599380589.db2.gz	BHGRBUIKEQJSFB-RMKNXTFCSA-N	-2	1	365.396	1.526	20	10		FDCDML
O=C([O-])CCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S	ZINC000823387029	599380592	/nfs/dbraw/zinc/38/05/92/599380592.db2.gz	BHGRBUIKEQJSFB-RMKNXTFCSA-N	-2	1	365.396	1.526	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccc1O	ZINC000833300404	601863713	/nfs/dbraw/zinc/86/37/13/601863713.db2.gz	DKSQGFVAMHQUAU-UHFFFAOYSA-N	-3	1	355.299	1.729	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)ccc1O	ZINC000757656057	601862317	/nfs/dbraw/zinc/86/23/17/601862317.db2.gz	MZCOXGZSDOVZHX-UHFFFAOYSA-N	-3	1	373.289	1.868	20	10		FDCDML
O=C(N[C@H]1C[C@@H](O)C1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000298077368	676432892	/nfs/dbraw/zinc/43/28/92/676432892.db2.gz	ACRDLSSQWANORQ-PHIMTYICSA-N	-2	1	368.436	1.508	20	10		FDCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000776432853	977443586	/nfs/dbraw/zinc/44/35/86/977443586.db2.gz	HIBFKWAPPAHIFD-UHFFFAOYSA-N	-2	1	350.308	1.738	20	10		FDCDML
COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)ccc1O	ZINC001599445303	997998898	/nfs/dbraw/zinc/99/88/98/997998898.db2.gz	CZLAYADKKPDDEO-UHFFFAOYSA-N	-2	1	353.352	1.908	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccn2)c1	ZINC000738164808	600452012	/nfs/dbraw/zinc/45/20/12/600452012.db2.gz	ZJHGOROXLWKHAD-UHFFFAOYSA-N	-2	1	351.340	1.109	20	10		FDCDML
O=C([O-])CN1CCCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC001595093036	951796716	/nfs/dbraw/zinc/79/67/16/951796716.db2.gz	FYNWBMLPIXUKGS-LBPRGKRZSA-N	-2	1	369.805	1.311	20	10		FDCDML
COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192728223	969246039	/nfs/dbraw/zinc/24/60/39/969246039.db2.gz	AVDFSGRXCLYIBP-UHFFFAOYSA-N	-2	1	353.352	1.665	20	10		FDCDML
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1	ZINC000794592029	973380579	/nfs/dbraw/zinc/38/05/79/973380579.db2.gz	INCFXSCENDENHI-UHFFFAOYSA-N	-2	1	362.816	1.645	20	10		FDCDML
CC(C)(CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000272411083	674440242	/nfs/dbraw/zinc/44/02/42/674440242.db2.gz	WEOJAGPFABDEED-UHFFFAOYSA-N	-2	1	370.452	1.755	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3nonc32)c(F)cc1F	ZINC000833301020	602196668	/nfs/dbraw/zinc/19/66/68/602196668.db2.gz	SJWXZJIBFKPKHI-UHFFFAOYSA-N	-2	1	355.278	2.000	20	10		FDCDML
COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000833733553	605033769	/nfs/dbraw/zinc/03/37/69/605033769.db2.gz	KHCZDZZESGCQJE-SSDOTTSWSA-N	-2	1	358.397	1.595	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1O	ZINC000833300460	601863642	/nfs/dbraw/zinc/86/36/42/601863642.db2.gz	FYHZYJINXLQKAX-UHFFFAOYSA-N	-3	1	372.742	1.638	20	10		FDCDML
O=C([O-])CN1C(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc23)SC1=S	ZINC000765502206	907356505	/nfs/dbraw/zinc/35/65/05/907356505.db2.gz	POZULWVWOGFBKM-WMZJFQQLSA-N	-2	1	363.376	1.547	20	10		FDCDML
C[C@@H](CO)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000770110368	929859428	/nfs/dbraw/zinc/85/94/28/929859428.db2.gz	LEQFQJLMVXTGOM-JTQLQIEISA-N	-2	1	370.452	1.707	20	10		FDCDML
CCO[C@@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC)C1CC1	ZINC000863410396	972885198	/nfs/dbraw/zinc/88/51/98/972885198.db2.gz	CSQYNXJDIXYILI-AWEZNQCLSA-N	-2	1	361.391	1.875	20	10		FDCDML
C[C@H](CCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269732491	537021844	/nfs/dbraw/zinc/02/18/44/537021844.db2.gz	WMCVVTFPZMZHOE-SNVBAGLBSA-N	-2	1	370.452	1.755	20	10		FDCDML
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1	ZINC000831242479	604829022	/nfs/dbraw/zinc/82/90/22/604829022.db2.gz	FVJJPQQGGUDRHR-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000821192114	944363199	/nfs/dbraw/zinc/36/31/99/944363199.db2.gz	SINFAHJUFIRULJ-UHFFFAOYSA-N	-2	1	365.363	1.819	20	10		FDCDML
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc12	ZINC000775286583	967201913	/nfs/dbraw/zinc/20/19/13/967201913.db2.gz	YSQUPXCROUCCRI-UHFFFAOYSA-N	-2	1	363.355	1.691	20	10		FDCDML
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000324706254	605523287	/nfs/dbraw/zinc/52/32/87/605523287.db2.gz	QVLGXCUNWXMRIR-UHFFFAOYSA-N	-2	1	351.336	1.678	20	10		FDCDML
O=C([O-])COc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1	ZINC001192729558	969247269	/nfs/dbraw/zinc/24/72/69/969247269.db2.gz	SFPSLAAYABWCFW-UHFFFAOYSA-N	-2	1	359.306	1.935	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)ccc1O	ZINC000776434324	977497567	/nfs/dbraw/zinc/49/75/67/977497567.db2.gz	CGTPSAJBSYTSTB-UHFFFAOYSA-N	-2	1	374.378	1.531	20	10		FDCDML
C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)[O-]	ZINC000820129065	601210410	/nfs/dbraw/zinc/21/04/10/601210410.db2.gz	FRKGQDUAJNSKHW-QMMMGPOBSA-N	-3	1	370.408	1.457	20	10		FDCDML
Cc1ccc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1C(=O)[O-]	ZINC001184718327	963693130	/nfs/dbraw/zinc/69/31/30/963693130.db2.gz	WZRSCDFHKPMWGK-UHFFFAOYSA-N	-2	1	365.363	1.266	20	10		FDCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(C)c1	ZINC000776434817	978748895	/nfs/dbraw/zinc/74/88/95/978748895.db2.gz	NRQPSBKIIGZDMD-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1	ZINC000833737227	604694140	/nfs/dbraw/zinc/69/41/40/604694140.db2.gz	FWHUKAQKVYXZMU-UHFFFAOYSA-N	-2	1	368.342	1.853	20	10		FDCDML
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000326746881	676585543	/nfs/dbraw/zinc/58/55/43/676585543.db2.gz	KSSRPHHVQAIBDL-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000821197514	944365046	/nfs/dbraw/zinc/36/50/46/944365046.db2.gz	BZXBAUVFRIXWHN-UHFFFAOYSA-N	-3	1	369.309	1.153	20	10		FDCDML
CCN(CCO)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270087068	674164682	/nfs/dbraw/zinc/16/46/82/674164682.db2.gz	AOJXPLBBVUEBCO-UHFFFAOYSA-N	-2	1	370.452	1.709	20	10		FDCDML
C[C@H](CO)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270886200	674282210	/nfs/dbraw/zinc/28/22/10/674282210.db2.gz	PQIIBZMVEZCBJX-JTQLQIEISA-N	-2	1	370.452	1.613	20	10		FDCDML
O=C(CNC(=O)c1c([O-])c(F)c(F)c(F)c1F)c1ccc([O-])c(O)c1	ZINC001195310984	970842784	/nfs/dbraw/zinc/84/27/84/970842784.db2.gz	LFJWEROJUPCUIC-UHFFFAOYSA-N	-2	1	359.231	1.973	20	10		FDCDML
O=C(N[C@@H]1CC[C@H]1O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000819685722	943715007	/nfs/dbraw/zinc/71/50/07/943715007.db2.gz	YYZGSIIUHYSBHN-DGCLKSJQSA-N	-2	1	368.436	1.508	20	10		FDCDML
O=S(=O)([N-]c1ccc([O-])c(I)c1)c1ncc[nH]1	ZINC001190722644	968047153	/nfs/dbraw/zinc/04/71/53/968047153.db2.gz	YKNROAPGETXCHP-UHFFFAOYSA-N	-2	1	365.152	1.521	20	10		FDCDML
CC1(O)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000277744208	675029170	/nfs/dbraw/zinc/02/91/70/675029170.db2.gz	MRRXSEZFTLEMIW-UHFFFAOYSA-N	-2	1	368.436	1.461	20	10		FDCDML
C[C@@H](O)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000291064777	676241887	/nfs/dbraw/zinc/24/18/87/676241887.db2.gz	QBJKWAGTAPCDDM-SNVBAGLBSA-N	-2	1	370.452	1.707	20	10		FDCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1F	ZINC000772178836	931099915	/nfs/dbraw/zinc/09/99/15/931099915.db2.gz	QMVLCJMSGSRRHT-UHFFFAOYSA-N	-2	1	369.326	1.817	20	10		FDCDML
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1c(F)ccc(O)c1[O-]	ZINC000848392021	976714863	/nfs/dbraw/zinc/71/48/63/976714863.db2.gz	TZENLLWJJGIZFK-VXNVDRBHSA-N	-2	1	364.295	1.909	20	10		FDCDML
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000324065261	676567603	/nfs/dbraw/zinc/56/76/03/676567603.db2.gz	XFICNQZGSDQREG-UHFFFAOYSA-N	-2	1	371.392	1.295	20	10		FDCDML
COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-]	ZINC000730434325	916783082	/nfs/dbraw/zinc/78/30/82/916783082.db2.gz	JQFCNVCHODSKGI-KMKOMSMNSA-N	-2	1	370.364	1.556	20	10		FDCDML
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1O	ZINC001198779980	973514767	/nfs/dbraw/zinc/51/47/67/973514767.db2.gz	WMHBGCGZPJPSFU-UHFFFAOYSA-N	-2	1	351.336	1.678	20	10		FDCDML
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000151712768	869391912	/nfs/dbraw/zinc/39/19/12/869391912.db2.gz	MBJSMXJDSQXNSC-UHFFFAOYSA-N	-2	1	371.372	1.467	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000830155323	941194435	/nfs/dbraw/zinc/19/44/35/941194435.db2.gz	FJKYUHFUXIAKQV-UHFFFAOYSA-N	-2	1	357.363	1.896	20	10		FDCDML
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775285782	967151956	/nfs/dbraw/zinc/15/19/56/967151956.db2.gz	BUIJFJHKSBYWSF-UHFFFAOYSA-N	-2	1	365.367	1.803	20	10		FDCDML
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001597044116	986502485	/nfs/dbraw/zinc/50/24/85/986502485.db2.gz	BTJFOSDLESKIHT-UHFFFAOYSA-N	-2	1	353.352	1.996	20	10		FDCDML
COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000833733554	605033732	/nfs/dbraw/zinc/03/37/32/605033732.db2.gz	KHCZDZZESGCQJE-ZETCQYMHSA-N	-2	1	358.397	1.595	20	10		FDCDML
O=C(NN1CCCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000298349616	676454554	/nfs/dbraw/zinc/45/45/54/676454554.db2.gz	KYAOALHQXPHRRK-UHFFFAOYSA-N	-2	1	367.452	1.995	20	10		FDCDML
O=C([O-])c1cc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1F	ZINC001186208153	964374286	/nfs/dbraw/zinc/37/42/86/964374286.db2.gz	IKZZHWIUMPJPMB-UHFFFAOYSA-N	-2	1	369.326	1.096	20	10		FDCDML
CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)c1c(F)ccc(O)c1[O-]	ZINC001589877875	988542817	/nfs/dbraw/zinc/54/28/17/988542817.db2.gz	PTBHRDGTEANRKR-UHFFFAOYSA-N	-2	1	357.334	1.496	20	10		FDCDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(OC)c1C(=O)[O-]	ZINC000833734695	605202582	/nfs/dbraw/zinc/20/25/82/605202582.db2.gz	TWYGLVVPAXVDOZ-UHFFFAOYSA-N	-2	1	353.352	1.908	20	10		FDCDML
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1	ZINC000740751110	925436974	/nfs/dbraw/zinc/43/69/74/925436974.db2.gz	UPEOMWGKNSONET-VIFPVBQESA-N	-2	1	370.365	1.950	20	10		FDCDML
O=C(CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccc([O-])c(O)c1	ZINC001147889615	952559296	/nfs/dbraw/zinc/55/92/96/952559296.db2.gz	NKLPJDGLLOAYGK-UHFFFAOYSA-N	-2	1	353.334	1.190	20	10		FDCDML
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1[O-]	ZINC000775285980	967149076	/nfs/dbraw/zinc/14/90/76/967149076.db2.gz	HQZPQIWCNJIDAS-UHFFFAOYSA-N	-2	1	367.339	1.765	20	10		FDCDML
COc1ccc(C(=O)[N-]C(=O)CSc2ncc(C(=O)[O-])s2)cc1	ZINC001599481610	996781886	/nfs/dbraw/zinc/78/18/86/996781886.db2.gz	ACQABRKQLRLRHD-UHFFFAOYSA-N	-2	1	352.393	1.899	20	10		FDCDML
CN(CC(=O)[O-])C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000818402394	596918867	/nfs/dbraw/zinc/91/88/67/596918867.db2.gz	KDGFGSMZUYJDSA-UHFFFAOYSA-N	-3	1	370.408	1.411	20	10		FDCDML
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000324670767	605523086	/nfs/dbraw/zinc/52/30/86/605523086.db2.gz	GTNCRDMDRBCKOG-UHFFFAOYSA-N	-2	1	350.352	1.251	20	10		FDCDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000326473514	605523137	/nfs/dbraw/zinc/52/31/37/605523137.db2.gz	JBCPMLMPSWYLBV-UHFFFAOYSA-N	-2	1	368.323	1.808	20	10		FDCDML
O=C([O-])CN1C(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc23)SC1=S	ZINC000765502205	907357047	/nfs/dbraw/zinc/35/70/47/907357047.db2.gz	POZULWVWOGFBKM-ONNFQVAWSA-N	-2	1	363.376	1.547	20	10		FDCDML
O=C(c1ccccc1)c1ccc([O-])c(CN2CCn3cnnc3C2)c1[O-]	ZINC000732189854	919162833	/nfs/dbraw/zinc/16/28/33/919162833.db2.gz	MDDYHJAUBOLTBW-UHFFFAOYSA-N	-2	1	350.378	1.936	20	10		FDCDML
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1	ZINC000740751093	925436901	/nfs/dbraw/zinc/43/69/01/925436901.db2.gz	UPEOMWGKNSONET-SECBINFHSA-N	-2	1	370.365	1.950	20	10		FDCDML
Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc21	ZINC000821168643	944376246	/nfs/dbraw/zinc/37/62/46/944376246.db2.gz	JIEAWONDFIZGOW-UHFFFAOYSA-N	-2	1	356.306	1.916	20	10		FDCDML
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775286362	967203208	/nfs/dbraw/zinc/20/32/08/967203208.db2.gz	QNEIXWVKGPIPMQ-UHFFFAOYSA-N	-2	1	372.380	1.505	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1cccnc1OC	ZINC001194717969	970369471	/nfs/dbraw/zinc/36/94/71/970369471.db2.gz	PSVYINFAJFRKMH-UHFFFAOYSA-N	-2	1	356.331	1.522	20	10		FDCDML
C[C@H](O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270330522	674194966	/nfs/dbraw/zinc/19/49/66/674194966.db2.gz	MAESAQDFJNLKNU-JTQLQIEISA-N	-2	1	370.452	1.755	20	10		FDCDML
CC[C@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271918513	674395803	/nfs/dbraw/zinc/39/58/03/674395803.db2.gz	SMSBQPCNFISJQP-SNVBAGLBSA-N	-2	1	370.452	1.755	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000833738468	604733613	/nfs/dbraw/zinc/73/36/13/604733613.db2.gz	WOPORCYULCGXDU-UHFFFAOYSA-N	-2	1	368.342	1.853	20	10		FDCDML
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1	ZINC000916106476	881355138	/nfs/dbraw/zinc/35/51/38/881355138.db2.gz	OAWQUZXGXJHKHC-UHFFFAOYSA-N	-2	1	350.352	1.007	20	10		FDCDML
COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000767738626	929620095	/nfs/dbraw/zinc/62/00/95/929620095.db2.gz	PBQRFZHMPFXWQU-UHFFFAOYSA-N	-2	1	353.352	1.908	20	10		FDCDML
CC(C)CN1C(=O)C(=CNCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC001591349283	992333597	/nfs/dbraw/zinc/33/35/97/992333597.db2.gz	INXZHIHHWKMIGC-JYRVWZFOSA-N	-2	1	361.423	1.258	20	10		FDCDML
C[C@@H](O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270330524	674194874	/nfs/dbraw/zinc/19/48/74/674194874.db2.gz	MAESAQDFJNLKNU-SNVBAGLBSA-N	-2	1	370.452	1.755	20	10		FDCDML
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000324172426	600676549	/nfs/dbraw/zinc/67/65/49/600676549.db2.gz	FTVDQZHGMLJXJX-UHFFFAOYSA-N	-2	1	373.412	1.275	20	10		FDCDML
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000740701197	925426307	/nfs/dbraw/zinc/42/63/07/925426307.db2.gz	ZLDSIZDNQYJNNS-UHFFFAOYSA-N	-2	1	364.379	1.316	20	10		FDCDML
Cc1cc(C)c(CNC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c(O)c1	ZINC001148933311	952826213	/nfs/dbraw/zinc/82/62/13/952826213.db2.gz	KILVTZITSGEBEZ-UHFFFAOYSA-N	-2	1	351.380	1.891	20	10		FDCDML
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775286556	967202063	/nfs/dbraw/zinc/20/20/63/967202063.db2.gz	XCUCAIZUTVUURN-UHFFFAOYSA-N	-2	1	352.324	1.888	20	10		FDCDML
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000832204224	601862872	/nfs/dbraw/zinc/86/28/72/601862872.db2.gz	NDSSRFUIYCKCSB-UHFFFAOYSA-N	-2	1	367.335	1.598	20	10		FDCDML
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)ccc21	ZINC000041091487	670888436	/nfs/dbraw/zinc/88/84/36/670888436.db2.gz	LPADPUWKGBEJIM-UHFFFAOYSA-N	-2	1	364.335	1.336	20	10		FDCDML
CS(=O)(=O)[N-]c1ccsc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001196739085	971901853	/nfs/dbraw/zinc/90/18/53/971901853.db2.gz	JSSQGUGMHFAKOX-UHFFFAOYSA-N	-2	1	370.408	1.144	20	10		FDCDML
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc2o1	ZINC000775286433	967202393	/nfs/dbraw/zinc/20/23/93/967202393.db2.gz	RHJLLBOPAYXGDV-UHFFFAOYSA-N	-2	1	351.296	1.948	20	10		FDCDML
O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccc(O)c([O-])c1Cl	ZINC001193229858	969597340	/nfs/dbraw/zinc/59/73/40/969597340.db2.gz	OJHWQROFUYALLQ-UHFFFAOYSA-N	-2	1	368.754	1.436	20	10		FDCDML
COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776435017	978748793	/nfs/dbraw/zinc/74/87/93/978748793.db2.gz	VZRYKEJDLRCYRR-UHFFFAOYSA-N	-2	1	353.352	1.908	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1	ZINC000738139228	602143731	/nfs/dbraw/zinc/14/37/31/602143731.db2.gz	OQKCLSNDOPJHEQ-UHFFFAOYSA-N	-2	1	364.379	1.643	20	10		FDCDML
O=C([O-])CN1CCCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC001595093034	951796976	/nfs/dbraw/zinc/79/69/76/951796976.db2.gz	FYNWBMLPIXUKGS-GFCCVEGCSA-N	-2	1	369.805	1.311	20	10		FDCDML
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776433252	977516799	/nfs/dbraw/zinc/51/67/99/977516799.db2.gz	OVFDRSXQQRGLBK-UHFFFAOYSA-N	-2	1	369.326	1.817	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(OC)n1	ZINC001190101787	967538759	/nfs/dbraw/zinc/53/87/59/967538759.db2.gz	BXGAXOQMKNEKPS-UHFFFAOYSA-N	-2	1	374.321	1.661	20	10		FDCDML
O=C([O-])c1cnc(C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC001606537227	974059540	/nfs/dbraw/zinc/05/95/40/974059540.db2.gz	GODWKUJSMRPEKG-UHFFFAOYSA-N	-2	1	352.144	1.573	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])nc2)c1	ZINC000833737137	605255901	/nfs/dbraw/zinc/25/59/01/605255901.db2.gz	AGZJNGCBXHMZFB-UHFFFAOYSA-N	-2	1	351.340	1.109	20	10		FDCDML
CC[C@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000293630577	537541358	/nfs/dbraw/zinc/54/13/58/537541358.db2.gz	AMBAYWGGEYTFKI-NSHDSACASA-N	-2	1	370.452	1.755	20	10		FDCDML
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])ccc21	ZINC000326405840	676582794	/nfs/dbraw/zinc/58/27/94/676582794.db2.gz	OQDQNZGCFDFLPL-UHFFFAOYSA-N	-2	1	364.335	1.336	20	10		FDCDML
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000326500290	676583527	/nfs/dbraw/zinc/58/35/27/676583527.db2.gz	PDTIZLLDYBGEFD-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
O=C(CSc1n[nH]c(=O)[n-]1)NCc1cccc(Br)c1[O-]	ZINC000765765472	909152471	/nfs/dbraw/zinc/15/24/71/909152471.db2.gz	SGZLPFOLTAPNHR-UHFFFAOYSA-N	-2	1	359.205	1.387	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1	ZINC001185996396	964228440	/nfs/dbraw/zinc/22/84/40/964228440.db2.gz	CNPCGILRDMXAGN-UHFFFAOYSA-N	-2	1	365.342	1.995	20	10		FDCDML
O=C(NCC1COC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000863353788	972843484	/nfs/dbraw/zinc/84/34/84/972843484.db2.gz	LWAQEOGQMLJKLK-UHFFFAOYSA-N	-2	1	368.436	1.631	20	10		FDCDML
C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)[O-]	ZINC000820129064	602273431	/nfs/dbraw/zinc/27/34/31/602273431.db2.gz	FRKGQDUAJNSKHW-MRVPVSSYSA-N	-3	1	370.408	1.457	20	10		FDCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000372310086	677892056	/nfs/dbraw/zinc/89/20/56/677892056.db2.gz	RLXDDYMMSXQSAB-UHFFFAOYSA-N	-2	1	362.363	1.177	20	10		FDCDML
COC[C@@]1(C(=O)[O-])CN(Cc2cc(C)cc(Br)c2[O-])CCO1	ZINC001574146742	962621728	/nfs/dbraw/zinc/62/17/28/962621728.db2.gz	OJDXBHLBXMJTRT-OAHLLOKOSA-N	-2	1	374.231	1.765	20	10		FDCDML
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000773750876	964300672	/nfs/dbraw/zinc/30/06/72/964300672.db2.gz	JDAWYYKFRKYPRR-VIFPVBQESA-N	-2	1	370.365	1.517	20	10		FDCDML
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC000324458443	676569840	/nfs/dbraw/zinc/56/98/40/676569840.db2.gz	AKBNPAJHYKCYFZ-UHFFFAOYSA-N	-2	1	371.392	1.295	20	10		FDCDML
O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1	ZINC001192726241	969273030	/nfs/dbraw/zinc/27/30/30/969273030.db2.gz	PTOQSQASYCDOJJ-UHFFFAOYSA-N	-2	1	359.306	1.935	20	10		FDCDML
O=C([O-])CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S	ZINC000823387030	599380151	/nfs/dbraw/zinc/38/01/51/599380151.db2.gz	BHGRBUIKEQJSFB-TWGQIWQCSA-N	-2	1	365.396	1.526	20	10		FDCDML
O=C([O-])CCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S	ZINC000823387030	599380154	/nfs/dbraw/zinc/38/01/54/599380154.db2.gz	BHGRBUIKEQJSFB-TWGQIWQCSA-N	-2	1	365.396	1.526	20	10		FDCDML
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3c([O-])c(O)ccc3F)C2)cn1	ZINC001594536700	955580423	/nfs/dbraw/zinc/58/04/23/955580423.db2.gz	GYRQKYSGJJHZTC-VHSXEESVSA-N	-2	1	363.345	1.301	20	10		FDCDML
Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C(=O)[O-]	ZINC000833052279	601761119	/nfs/dbraw/zinc/76/11/19/601761119.db2.gz	SCBBHUOPMDKGRV-UHFFFAOYSA-N	-2	1	353.356	1.053	20	10		FDCDML
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1	ZINC000831368356	604828918	/nfs/dbraw/zinc/82/89/18/604828918.db2.gz	BSXXIAUYOANREL-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
C[C@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000763715273	898319369	/nfs/dbraw/zinc/31/93/69/898319369.db2.gz	DPSJBQYYWPBKRK-SECBINFHSA-N	-2	1	356.425	1.365	20	10		FDCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1F	ZINC000772178866	931100310	/nfs/dbraw/zinc/10/03/10/931100310.db2.gz	RGUAKRFJKRRDBG-UHFFFAOYSA-N	-2	1	369.326	1.817	20	10		FDCDML
O=C(Nc1cn[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000788164333	932592309	/nfs/dbraw/zinc/59/23/09/932592309.db2.gz	IEOXMVMZOCZYFH-UHFFFAOYSA-N	-2	1	365.396	1.625	20	10		FDCDML
CN(C)c1nc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c(N=O)c(=O)[n-]1	ZINC001147881135	952569924	/nfs/dbraw/zinc/56/99/24/952569924.db2.gz	QGWUPPBSYWVKCV-UHFFFAOYSA-N	-2	1	369.341	1.378	20	10		FDCDML
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1C	ZINC000760513531	841183784	/nfs/dbraw/zinc/18/37/84/841183784.db2.gz	VDEYAPSCJIQAAL-UHFFFAOYSA-N	-2	1	368.367	1.406	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CC(=O)[O-])n2)c1	ZINC001599761089	992122828	/nfs/dbraw/zinc/12/28/28/992122828.db2.gz	NXISOPAOGLBFBG-UHFFFAOYSA-N	-2	1	365.367	1.038	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000833738186	604686108	/nfs/dbraw/zinc/68/61/08/604686108.db2.gz	RHJCSMKGZNTULV-UHFFFAOYSA-N	-2	1	350.352	1.714	20	10		FDCDML
O=C(c1ccccc1)c1ccc([O-])c(CN2CCS(=O)(=O)CC2)c1[O-]	ZINC000728711284	792750733	/nfs/dbraw/zinc/75/07/33/792750733.db2.gz	MZZSHJXKKSXCLF-UHFFFAOYSA-N	-2	1	361.419	1.559	20	10		FDCDML
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cn1C	ZINC000808114169	940519563	/nfs/dbraw/zinc/51/95/63/940519563.db2.gz	SUJSDIGGUWTVSC-UHFFFAOYSA-N	-2	1	361.782	1.684	20	10		FDCDML
C[C@@H](CO)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270886201	674282116	/nfs/dbraw/zinc/28/21/16/674282116.db2.gz	PQIIBZMVEZCBJX-SNVBAGLBSA-N	-2	1	370.452	1.613	20	10		FDCDML
O=C([O-])C1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1	ZINC001594862857	954290121	/nfs/dbraw/zinc/29/01/21/954290121.db2.gz	BMJOMTHTSDZLIY-UHFFFAOYSA-N	-2	1	358.188	1.652	20	10		FDCDML
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286472	967202165	/nfs/dbraw/zinc/20/21/65/967202165.db2.gz	UEGTZMFBNRZZCI-UHFFFAOYSA-N	-2	1	351.340	1.461	20	10		FDCDML
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000324065488	676567467	/nfs/dbraw/zinc/56/74/67/676567467.db2.gz	XFXSBDJXGQVUHP-UHFFFAOYSA-N	-2	1	351.336	1.678	20	10		FDCDML
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1[O-]	ZINC000765095004	906361580	/nfs/dbraw/zinc/36/15/80/906361580.db2.gz	IRRPQYRULURBPX-UHFFFAOYSA-N	-2	1	366.351	1.555	20	10		FDCDML
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)ccc21	ZINC000775287971	967204973	/nfs/dbraw/zinc/20/49/73/967204973.db2.gz	GVHJQTZHJYELGW-UHFFFAOYSA-N	-2	1	365.323	1.546	20	10		FDCDML
O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000372807329	538036379	/nfs/dbraw/zinc/03/63/79/538036379.db2.gz	YEWNDLASMINCTA-UHFFFAOYSA-N	-2	1	363.351	1.387	20	10		FDCDML
O=C(CNC(=O)c1ccccc1OP(=O)([O-])[O-])c1ccc([O-])c(O)c1	ZINC001189899894	967417623	/nfs/dbraw/zinc/41/76/23/967417623.db2.gz	XANCEUIPQDRAML-UHFFFAOYSA-N	-3	1	367.250	1.182	20	10		FDCDML
O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1	ZINC001192712248	969260420	/nfs/dbraw/zinc/26/04/20/969260420.db2.gz	DAKOVHAATFXVMV-UHFFFAOYSA-N	-2	1	359.306	1.935	20	10		FDCDML
N=C(NC(=O)c1ccc(O)c([O-])c1Cl)SCCS(=O)(=O)[O-]	ZINC001193236534	969565338	/nfs/dbraw/zinc/56/53/38/969565338.db2.gz	GXTXOIZGUWBVFS-UHFFFAOYSA-N	-2	1	354.793	1.037	20	10		FDCDML
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(F)c1	ZINC000757653593	978703277	/nfs/dbraw/zinc/70/32/77/978703277.db2.gz	BTPJVGJFMKCXDR-UHFFFAOYSA-N	-2	1	355.299	1.729	20	10		FDCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1C	ZINC000776434302	978748779	/nfs/dbraw/zinc/74/87/79/978748779.db2.gz	BKZIOKPCBBYLRM-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
CC[C@@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000272586889	674458702	/nfs/dbraw/zinc/45/87/02/674458702.db2.gz	SMSBQPCNFISJQP-JTQLQIEISA-N	-2	1	370.452	1.755	20	10		FDCDML
COC(=O)CN(CC(=O)[O-])Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000737615260	599953339	/nfs/dbraw/zinc/95/33/39/599953339.db2.gz	JRLIVAPYIHKJMZ-UHFFFAOYSA-N	-3	1	373.361	1.388	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cncc(C(=O)[O-])c2)c1	ZINC000833737874	604733485	/nfs/dbraw/zinc/73/34/85/604733485.db2.gz	MBQZCBQWCUNSKG-UHFFFAOYSA-N	-2	1	351.340	1.109	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CC(=O)[O-])c1	ZINC000820894264	604719916	/nfs/dbraw/zinc/71/99/16/604719916.db2.gz	LQJIIPMBLDKCAK-UHFFFAOYSA-N	-2	1	364.379	1.643	20	10		FDCDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1C(=O)[O-]	ZINC001185310815	963907714	/nfs/dbraw/zinc/90/77/14/963907714.db2.gz	PRZOFXBLRMXXQI-UHFFFAOYSA-N	-2	1	353.352	1.908	20	10		FDCDML
O=S(=O)([N-]c1ccc([O-])c(I)c1)c1c[nH]cn1	ZINC001187761230	965725813	/nfs/dbraw/zinc/72/58/13/965725813.db2.gz	UHLILEHJZUXKCS-UHFFFAOYSA-N	-2	1	365.152	1.521	20	10		FDCDML
O=C([O-])CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000819498817	596919750	/nfs/dbraw/zinc/91/97/50/596919750.db2.gz	DFTDAAHJULEPCG-UHFFFAOYSA-N	-3	1	370.408	1.459	20	10		FDCDML
O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S	ZINC000823387519	606393074	/nfs/dbraw/zinc/39/30/74/606393074.db2.gz	NPSKDEUMOURVJY-XVNBXDOJSA-N	-2	1	353.410	1.214	20	10		FDCDML
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000773750874	964300862	/nfs/dbraw/zinc/30/08/62/964300862.db2.gz	JDAWYYKFRKYPRR-SECBINFHSA-N	-2	1	370.365	1.517	20	10		FDCDML
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001194277813	970063202	/nfs/dbraw/zinc/06/32/02/970063202.db2.gz	SOOJMWBHBRGLPD-UHFFFAOYSA-N	-2	1	367.361	1.910	20	10		FDCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC[C@@H](O)C1	ZINC000268477055	537012725	/nfs/dbraw/zinc/01/27/25/537012725.db2.gz	ZKPPWDYSAKMUPF-LLVKDONJSA-N	-2	1	368.436	1.461	20	10		FDCDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286034	967149280	/nfs/dbraw/zinc/14/92/80/967149280.db2.gz	KOZQEPKQPJAOSV-UHFFFAOYSA-N	-2	1	352.324	1.888	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1O	ZINC000041125023	670888744	/nfs/dbraw/zinc/88/87/44/670888744.db2.gz	CMXUZGQDJVLYOW-UHFFFAOYSA-N	-2	1	350.308	1.326	20	10		FDCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC(O)C1	ZINC000760177504	831982202	/nfs/dbraw/zinc/98/22/02/831982202.db2.gz	GKFGXYGZJYLSQU-UHFFFAOYSA-N	-2	1	354.409	1.071	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(C3(C(=O)[O-])CCC3)no2)c1	ZINC001604932300	972496504	/nfs/dbraw/zinc/49/65/04/972496504.db2.gz	WDRGQSJWXMTSEQ-UHFFFAOYSA-N	-2	1	353.356	1.320	20	10		FDCDML
O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3c[nH]cn3)ccc([O-])c21	ZINC001187763236	965729103	/nfs/dbraw/zinc/72/91/03/965729103.db2.gz	ZLWBJIOUSWAOBA-UHFFFAOYSA-N	-2	1	369.358	1.692	20	10		FDCDML
O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1	ZINC001192714277	969261833	/nfs/dbraw/zinc/26/18/33/969261833.db2.gz	IPTXDDYDXVLMOT-UHFFFAOYSA-N	-2	1	359.306	1.935	20	10		FDCDML
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000757656272	601862464	/nfs/dbraw/zinc/86/24/64/601862464.db2.gz	OPHXTJIUISOBNV-UHFFFAOYSA-N	-2	1	355.299	1.729	20	10		FDCDML
COc1ccc(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c(O)c1	ZINC000794372809	938394440	/nfs/dbraw/zinc/39/44/40/938394440.db2.gz	DPYTYJMAKWXBEV-UHFFFAOYSA-N	-2	1	356.338	1.389	20	10		FDCDML
O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3nonc32)c1F	ZINC000776559884	979283629	/nfs/dbraw/zinc/28/36/29/979283629.db2.gz	FIXYMXYRRLTHTJ-UHFFFAOYSA-N	-2	1	355.278	2.000	20	10		FDCDML
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000881446389	979947751	/nfs/dbraw/zinc/94/77/51/979947751.db2.gz	HVIFMMWNOZNQRE-CYBMUJFWSA-N	-2	1	350.268	1.520	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1O	ZINC000364426497	677016780	/nfs/dbraw/zinc/01/67/80/677016780.db2.gz	NUGDLOAQIYXWNO-UHFFFAOYSA-N	-2	1	362.363	1.177	20	10		FDCDML
COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000811671420	941149855	/nfs/dbraw/zinc/14/98/55/941149855.db2.gz	RBQAVVMYMTXIHS-UHFFFAOYSA-N	-2	1	365.363	1.607	20	10		FDCDML
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776748805	968996343	/nfs/dbraw/zinc/99/63/43/968996343.db2.gz	ISADYMLHVPCHEK-UHFFFAOYSA-N	-2	1	362.816	1.494	20	10		FDCDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1Cn1cncn1	ZINC000776434938	977542016	/nfs/dbraw/zinc/54/20/16/977542016.db2.gz	RUIWVCDCQQKUSE-UHFFFAOYSA-N	-2	1	374.378	1.531	20	10		FDCDML
COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OCC(=O)[O-]	ZINC000730434327	916783222	/nfs/dbraw/zinc/78/32/22/916783222.db2.gz	JQFCNVCHODSKGI-XCVCLJGOSA-N	-2	1	370.364	1.556	20	10		FDCDML
O=C(Nc1nc[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748025691	941954235	/nfs/dbraw/zinc/95/42/35/941954235.db2.gz	VGLFQEIYAXHLGX-UHFFFAOYSA-N	-2	1	365.396	1.625	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC001195724551	971153262	/nfs/dbraw/zinc/15/32/62/971153262.db2.gz	CYYZPNIZIRSHFH-UHFFFAOYSA-N	-2	1	356.331	1.522	20	10		FDCDML
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775288426	967208969	/nfs/dbraw/zinc/20/89/69/967208969.db2.gz	LNOCUJIONZELSJ-UHFFFAOYSA-N	-2	1	372.380	1.505	20	10		FDCDML
CCO[C@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC)C1CC1	ZINC000863410397	972885510	/nfs/dbraw/zinc/88/55/10/972885510.db2.gz	CSQYNXJDIXYILI-CQSZACIVSA-N	-2	1	361.391	1.875	20	10		FDCDML
CC(C)(CS(=O)(=O)NCc1cccc(Br)c1[O-])C(=O)[O-]	ZINC001590819211	990651566	/nfs/dbraw/zinc/65/15/66/990651566.db2.gz	NZMZYTXRNROKRS-UHFFFAOYSA-N	-2	1	366.233	1.685	20	10		FDCDML
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260398902	960720590	/nfs/dbraw/zinc/72/05/90/960720590.db2.gz	HDBBIWMQZNXTHO-UHFFFAOYSA-N	-2	1	367.335	1.383	20	10		FDCDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190182405	967632887	/nfs/dbraw/zinc/63/28/87/967632887.db2.gz	CVFHVHCCVFEDIY-UHFFFAOYSA-N	-2	1	362.285	1.792	20	10		FDCDML
Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)ccc1O	ZINC000776747899	968966101	/nfs/dbraw/zinc/96/61/01/968966101.db2.gz	QGMKQFMMUKOXQD-UHFFFAOYSA-N	-2	1	364.379	1.316	20	10		FDCDML
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1	ZINC000737653778	600679148	/nfs/dbraw/zinc/67/91/48/600679148.db2.gz	JZUNRLWZPVNGRW-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1	ZINC000737680871	600679204	/nfs/dbraw/zinc/67/92/04/600679204.db2.gz	INVJIJXQJVISGK-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(=O)[O-])c2O)c1	ZINC000833737165	604738718	/nfs/dbraw/zinc/73/87/18/604738718.db2.gz	BXEAOTADKGFZOL-UHFFFAOYSA-N	-2	1	366.351	1.420	20	10		FDCDML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2O)cc1C(=O)[O-]	ZINC001192602527	969197918	/nfs/dbraw/zinc/19/79/18/969197918.db2.gz	XUOZKZYSNBICPM-UHFFFAOYSA-N	-2	1	353.352	1.996	20	10		FDCDML
CC(C)(O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267531317	673312269	/nfs/dbraw/zinc/31/22/69/673312269.db2.gz	VVIQWHCCAWWVAS-UHFFFAOYSA-N	-2	1	370.452	1.755	20	10		FDCDML
Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000172630108	865727053	/nfs/dbraw/zinc/72/70/53/865727053.db2.gz	SKOLUQHSNKAQAQ-UHFFFAOYSA-N	-2	1	367.409	1.670	20	10		FDCDML
O=C(N[C@H]1C[C@H](O)C1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000856394280	971115483	/nfs/dbraw/zinc/11/54/83/971115483.db2.gz	ACRDLSSQWANORQ-XYPYZODXSA-N	-2	1	368.436	1.508	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000833737177	604686385	/nfs/dbraw/zinc/68/63/85/604686385.db2.gz	CHPNFUUJONRZET-UHFFFAOYSA-N	-2	1	350.352	1.714	20	10		FDCDML
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc12	ZINC000776434989	605522954	/nfs/dbraw/zinc/52/29/54/605522954.db2.gz	VGICANYSALLHRO-UHFFFAOYSA-N	-2	1	362.367	1.481	20	10		FDCDML
O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)c3ncc[nH]3)ccc([O-])c21	ZINC001190730235	968050855	/nfs/dbraw/zinc/05/08/55/968050855.db2.gz	AOGOZVKCWZYWRY-UHFFFAOYSA-N	-2	1	369.358	1.692	20	10		FDCDML
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001589270891	985967229	/nfs/dbraw/zinc/96/72/29/985967229.db2.gz	YXBRIUYWDAXHBF-UHFFFAOYSA-N	-2	1	351.336	1.799	20	10		FDCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCOCC1	ZINC000267037083	673238363	/nfs/dbraw/zinc/23/83/63/673238363.db2.gz	GNEASIIAKSZGTG-UHFFFAOYSA-N	-2	1	368.436	1.727	20	10		FDCDML
CN(CCCO)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000281685601	675545249	/nfs/dbraw/zinc/54/52/49/675545249.db2.gz	CYIKDRXPRUKCMK-UHFFFAOYSA-N	-2	1	370.452	1.709	20	10		FDCDML
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3c([O-])c(O)ccc3F)C2)cn1	ZINC001594536692	955578260	/nfs/dbraw/zinc/57/82/60/955578260.db2.gz	GYRQKYSGJJHZTC-NXEZZACHSA-N	-2	1	363.345	1.301	20	10		FDCDML
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776432824	977443597	/nfs/dbraw/zinc/44/35/97/977443597.db2.gz	GZCLFBHBDWXBGL-UHFFFAOYSA-N	-2	1	364.379	1.593	20	10		FDCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC[C@H](O)C1	ZINC000270293656	674190891	/nfs/dbraw/zinc/19/08/91/674190891.db2.gz	ZKPPWDYSAKMUPF-NSHDSACASA-N	-2	1	368.436	1.461	20	10		FDCDML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccccc3O)cc2)[n-]1	ZINC000833267067	604352122	/nfs/dbraw/zinc/35/21/22/604352122.db2.gz	XBIZIVOCGBVSKS-UHFFFAOYSA-N	-2	1	367.361	1.428	20	10		FDCDML
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000324043293	676567304	/nfs/dbraw/zinc/56/73/04/676567304.db2.gz	RWUMRMIICWIOJU-UHFFFAOYSA-N	-2	1	350.352	1.251	20	10		FDCDML
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)c3c([O-])c(O)ccc3F)C2)cn1	ZINC001594536695	955580437	/nfs/dbraw/zinc/58/04/37/955580437.db2.gz	GYRQKYSGJJHZTC-UWVGGRQHSA-N	-2	1	363.345	1.301	20	10		FDCDML
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776433696	978748347	/nfs/dbraw/zinc/74/83/47/978748347.db2.gz	YWENJWIRVXCZTF-UHFFFAOYSA-N	-2	1	371.392	1.295	20	10		FDCDML
COC[C@]1(C(=O)[O-])CN(Cc2cc(C)cc(Br)c2[O-])CCO1	ZINC001574146741	962620974	/nfs/dbraw/zinc/62/09/74/962620974.db2.gz	OJDXBHLBXMJTRT-HNNXBMFYSA-N	-2	1	374.231	1.765	20	10		FDCDML
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC001598924241	997625299	/nfs/dbraw/zinc/62/52/99/997625299.db2.gz	YXOHXDNEDJBHCX-UHFFFAOYSA-N	-2	1	351.336	1.678	20	10		FDCDML
Cc1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sc1C(=O)[O-]	ZINC000833002300	601436326	/nfs/dbraw/zinc/43/63/26/601436326.db2.gz	UFZUGGSMSDNLII-UHFFFAOYSA-N	-2	1	371.396	1.479	20	10		FDCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CC(CO)C1	ZINC000773948944	961227495	/nfs/dbraw/zinc/22/74/95/961227495.db2.gz	VCRAUAOSSMNEKB-UHFFFAOYSA-N	-2	1	368.436	1.319	20	10		FDCDML
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000154623375	884009004	/nfs/dbraw/zinc/00/90/04/884009004.db2.gz	XVDJCOIZMTVWAD-UHFFFAOYSA-N	-2	1	353.382	1.328	20	10		FDCDML
C[C@H](CO)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000770110382	929859615	/nfs/dbraw/zinc/85/96/15/929859615.db2.gz	LEQFQJLMVXTGOM-SNVBAGLBSA-N	-2	1	370.452	1.707	20	10		FDCDML
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3c([O-])c(O)ccc3F)C2)cn1	ZINC001594536705	955581349	/nfs/dbraw/zinc/58/13/49/955581349.db2.gz	GYRQKYSGJJHZTC-ZJUUUORDSA-N	-2	1	363.345	1.301	20	10		FDCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCCCN1	ZINC000854427645	968874429	/nfs/dbraw/zinc/87/44/29/968874429.db2.gz	IOGRHNHMDQIMIZ-UHFFFAOYSA-N	-2	1	367.452	1.995	20	10		FDCDML
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(OC)c1	ZINC000013464153	670622247	/nfs/dbraw/zinc/62/22/47/670622247.db2.gz	YVCXCOXLVPFIOG-UHFFFAOYSA-N	-2	1	353.352	1.908	20	10		FDCDML
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000775287605	978747402	/nfs/dbraw/zinc/74/74/02/978747402.db2.gz	DOUDRPPLKIUSOR-UHFFFAOYSA-N	-2	1	356.287	1.939	20	10		FDCDML
C[C@@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000763715275	898319899	/nfs/dbraw/zinc/31/98/99/898319899.db2.gz	DPSJBQYYWPBKRK-VIFPVBQESA-N	-2	1	356.425	1.365	20	10		FDCDML
O=C([O-])CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000819526730	601208568	/nfs/dbraw/zinc/20/85/68/601208568.db2.gz	BCSATGNSMNLCPC-UHFFFAOYSA-N	-3	1	356.381	1.069	20	10		FDCDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])ccc1O	ZINC000833301312	601863612	/nfs/dbraw/zinc/86/36/12/601863612.db2.gz	WKVBCYAPXUGLDD-UHFFFAOYSA-N	-3	1	355.299	1.729	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC000833737219	604693822	/nfs/dbraw/zinc/69/38/22/604693822.db2.gz	FNUJDFHUPPGGLD-UHFFFAOYSA-N	-2	1	368.342	1.853	20	10		FDCDML
C[C@@H](CCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269732489	537021822	/nfs/dbraw/zinc/02/18/22/537021822.db2.gz	WMCVVTFPZMZHOE-JTQLQIEISA-N	-2	1	370.452	1.755	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(CC(=O)[O-])cs2)c1	ZINC000832699349	604667107	/nfs/dbraw/zinc/66/71/07/604667107.db2.gz	GJVSUFLOGUGALF-UHFFFAOYSA-N	-2	1	371.396	1.100	20	10		FDCDML
O=C(NCCCCO)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000278448666	675138570	/nfs/dbraw/zinc/13/85/70/675138570.db2.gz	AFAPYIMYELFTHP-UHFFFAOYSA-N	-2	1	370.452	1.757	20	10		FDCDML
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000766047389	882133714	/nfs/dbraw/zinc/13/37/14/882133714.db2.gz	HCESOHBVYXDIPF-UHFFFAOYSA-N	-2	1	351.336	1.799	20	10		FDCDML
C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000857339816	971725846	/nfs/dbraw/zinc/72/58/46/971725846.db2.gz	KHFOZDJYDVYBGU-APPZFPTMSA-N	-2	1	364.295	1.766	20	10		FDCDML
CC[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000855743333	970659027	/nfs/dbraw/zinc/65/90/27/970659027.db2.gz	AMBAYWGGEYTFKI-LLVKDONJSA-N	-2	1	370.452	1.755	20	10		FDCDML
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1C	ZINC000776433631	977514961	/nfs/dbraw/zinc/51/49/61/977514961.db2.gz	XMPHOXPGQXQQPQ-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000775287247	978747503	/nfs/dbraw/zinc/74/75/03/978747503.db2.gz	WZPAMBOEMOLLNA-UHFFFAOYSA-N	-2	1	365.363	1.986	20	10		FDCDML
CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1	ZINC001598157530	990653979	/nfs/dbraw/zinc/65/39/79/990653979.db2.gz	JGBKKOSKGZUDHZ-UHFFFAOYSA-N	-2	1	364.379	1.593	20	10		FDCDML
COCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000748008916	941911036	/nfs/dbraw/zinc/91/10/36/941911036.db2.gz	MFKLGMVDMVUYIU-UHFFFAOYSA-N	-2	1	356.425	1.631	20	10		FDCDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cs2)c1	ZINC000832700030	604706314	/nfs/dbraw/zinc/70/63/14/604706314.db2.gz	ZVGIWVNIQXBADR-UHFFFAOYSA-N	-2	1	356.381	1.776	20	10		FDCDML
C[C@H](O)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000291064774	676241854	/nfs/dbraw/zinc/24/18/54/676241854.db2.gz	QBJKWAGTAPCDDM-JTQLQIEISA-N	-2	1	370.452	1.707	20	10		FDCDML