smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000831373082	601242003	/nfs/dbraw/zinc/24/20/03/601242003.db2.gz	AJFPLKUJIMXYTA-UHFFFAOYSA-N	-3	0	395.345	1.376	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1[O-]	ZINC000790406476	655047842	/nfs/dbraw/zinc/04/78/42/655047842.db2.gz	PLJPTCGVWMGSFU-UHFFFAOYSA-N	-2	0	378.378	1.379	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)ccc1[O-]	ZINC000761975314	655153844	/nfs/dbraw/zinc/15/38/44/655153844.db2.gz	DBGNHFSYSIRYOD-UHFFFAOYSA-N	-2	0	395.821	1.289	20	10		GDCDRL
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCN(C(=O)[O-])[C@H](C)C2)c1	ZINC000738585529	603050781	/nfs/dbraw/zinc/05/07/81/603050781.db2.gz	JQMLCJPQALMSTB-CQSZACIVSA-N	-2	0	391.468	1.611	20	10		GDCDRL
Cc1nc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(Br)n1C	ZINC000389730737	677677715	/nfs/dbraw/zinc/67/77/15/677677715.db2.gz	QNZJOUSIELEWDT-UHFFFAOYSA-N	-2	0	390.215	1.696	20	10		GDCDRL
C[C@H](CC(=O)[O-])NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC001599888176	984662275	/nfs/dbraw/zinc/66/22/75/984662275.db2.gz	DNCUHPLHWAWQAW-SECBINFHSA-N	-2	0	384.435	1.848	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)ccc1[O-]	ZINC000790408420	655048388	/nfs/dbraw/zinc/04/83/88/655048388.db2.gz	YNKNZMPEZBSMMO-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC001598949730	998125511	/nfs/dbraw/zinc/12/55/11/998125511.db2.gz	DURJSZSCRQKXIN-UHFFFAOYSA-N	-2	0	395.389	1.833	20	10		GDCDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)n2)cn1	ZINC000833041333	600984611	/nfs/dbraw/zinc/98/46/11/600984611.db2.gz	QFXXBZYMUGNATL-UHFFFAOYSA-N	-2	0	394.434	1.808	20	10		GDCDRL
O=C([O-])[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC000833191630	601210387	/nfs/dbraw/zinc/21/03/87/601210387.db2.gz	FSPOCTROJPIXDR-SNVBAGLBSA-N	-2	0	396.446	1.801	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)ccc1[O-]	ZINC000790404531	655047767	/nfs/dbraw/zinc/04/77/67/655047767.db2.gz	FCVYWINMZDYPER-UHFFFAOYSA-N	-2	0	391.858	1.458	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2sccc2OC)ccc1[O-]	ZINC000790407850	655047990	/nfs/dbraw/zinc/04/79/90/655047990.db2.gz	VBXZAQJGTAUOOT-UHFFFAOYSA-N	-2	0	378.453	1.171	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1[O-]	ZINC000790408117	655048015	/nfs/dbraw/zinc/04/80/15/655048015.db2.gz	WLBOFHJYSIDKSX-UHFFFAOYSA-N	-2	0	396.368	1.518	20	10		GDCDRL
O=C([O-])Nc1cc2c(cc1[N-]S(=O)(=O)c1cccc3nonc31)OCO2	ZINC000834257083	605993161	/nfs/dbraw/zinc/99/31/61/605993161.db2.gz	RQQSYWZPSACOJY-UHFFFAOYSA-N	-2	0	378.322	1.842	20	10		GDCDRL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000757656062	655041828	/nfs/dbraw/zinc/04/18/28/655041828.db2.gz	NAFSZZRBSCPOHD-UHFFFAOYSA-N	-2	0	387.391	1.748	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1[O-]	ZINC000790407742	655048118	/nfs/dbraw/zinc/04/81/18/655048118.db2.gz	PGFJZWYDKHGKHV-UHFFFAOYSA-N	-2	0	393.424	1.071	20	10		GDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195233966	960569969	/nfs/dbraw/zinc/56/99/69/960569969.db2.gz	CGQRPSQSTXOGSM-UHFFFAOYSA-N	-2	0	387.316	1.956	20	10		GDCDRL
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3cc(C(=O)[O-])no3)C2)cc1	ZINC001599586475	993620059	/nfs/dbraw/zinc/62/00/59/993620059.db2.gz	QWAYIDSDKCYRQS-LLVKDONJSA-N	-2	0	381.410	1.186	20	10		GDCDRL
COc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)ccc1O	ZINC001599445744	998006519	/nfs/dbraw/zinc/00/65/19/998006519.db2.gz	XURKDHQYYCLZKQ-UHFFFAOYSA-N	-2	0	383.378	1.917	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)nc2Cl)ccc1[O-]	ZINC000800842295	654897416	/nfs/dbraw/zinc/89/74/16/654897416.db2.gz	VKRQYJJDAJUNHU-UHFFFAOYSA-N	-2	0	391.858	1.458	20	10		GDCDRL
COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1C(=O)[O-]	ZINC000831328502	600687720	/nfs/dbraw/zinc/68/77/20/600687720.db2.gz	VHOOMBGIGGATMN-UHFFFAOYSA-N	-2	0	393.402	1.977	20	10		GDCDRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1C(=O)[O-]	ZINC000547869505	650517452	/nfs/dbraw/zinc/51/74/52/650517452.db2.gz	KVBDPJHWLSETBR-UHFFFAOYSA-N	-3	0	379.375	1.889	20	10		GDCDRL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(N)noc2C)cc1OC	ZINC000844650780	655412453	/nfs/dbraw/zinc/41/24/53/655412453.db2.gz	VQDVYJXDTMFZKP-UHFFFAOYSA-N	-2	0	390.443	1.136	20	10		GDCDRL
O=C([O-])C1CCN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC001594939343	954868767	/nfs/dbraw/zinc/86/87/67/954868767.db2.gz	PXEMFMRVBCTGOF-UHFFFAOYSA-N	-2	0	383.253	1.830	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1[O-]	ZINC000790407799	655048063	/nfs/dbraw/zinc/04/80/63/655048063.db2.gz	RFGUOYSRANMMTL-UHFFFAOYSA-N	-2	0	377.831	1.150	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1[O-]	ZINC000790407770	655048124	/nfs/dbraw/zinc/04/81/24/655048124.db2.gz	QCOHEGQISBSSBB-UHFFFAOYSA-N	-2	0	387.395	1.009	20	10		GDCDRL
COC[C@@]1(C(=O)[O-])CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC001604564642	973625432	/nfs/dbraw/zinc/62/54/32/973625432.db2.gz	MPVPVEHCYCZYLY-CQSZACIVSA-N	-2	0	378.194	1.596	20	10		GDCDRL
O=C([O-])COCCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC001606284654	973669773	/nfs/dbraw/zinc/66/97/73/973669773.db2.gz	HFOFWZUNLJTKDK-UHFFFAOYSA-N	-2	0	381.212	1.616	20	10		GDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000779459561	978784034	/nfs/dbraw/zinc/78/40/34/978784034.db2.gz	CABBHDPIDQUYIH-UHFFFAOYSA-N	-2	0	381.362	1.443	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)ccc1O	ZINC000823387696	606866865	/nfs/dbraw/zinc/86/68/65/606866865.db2.gz	UVJCTXSQIGEBAA-UHFFFAOYSA-N	-2	0	395.784	1.725	20	10		GDCDRL
Cc1nn2cc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cnc2c1Cl	ZINC000776434941	654689680	/nfs/dbraw/zinc/68/96/80/654689680.db2.gz	RXOUYHSMWAFEHL-UHFFFAOYSA-N	-2	0	382.785	1.896	20	10		GDCDRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000753522995	654952204	/nfs/dbraw/zinc/95/22/04/654952204.db2.gz	VUAAOZMJKWSOKL-UHFFFAOYSA-N	-2	0	390.370	1.644	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2F)ccc1[O-]	ZINC000790407525	655048082	/nfs/dbraw/zinc/04/80/82/655048082.db2.gz	MTVWHQBKTKPGMK-UHFFFAOYSA-N	-2	0	390.414	1.249	20	10		GDCDRL
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000797431853	655242318	/nfs/dbraw/zinc/24/23/18/655242318.db2.gz	ZSDREKZCRZFESF-UHFFFAOYSA-N	-2	0	391.452	1.123	20	10		GDCDRL
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCN(C(=O)[O-])C[C@H]2C)c1	ZINC000738585518	602860003	/nfs/dbraw/zinc/86/00/03/602860003.db2.gz	JJTRORYRXGENHK-CQSZACIVSA-N	-2	0	391.468	1.611	20	10		GDCDRL
COc1ccc(-c2csc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)n2)cc1	ZINC000832124531	600974891	/nfs/dbraw/zinc/97/48/91/600974891.db2.gz	QTZKHGQIUZGXKP-UHFFFAOYSA-N	-2	0	394.434	1.901	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)ccc1O	ZINC000826462325	609528932	/nfs/dbraw/zinc/52/89/32/609528932.db2.gz	VFTVHCSMVRITKU-UHFFFAOYSA-N	-2	0	395.784	1.725	20	10		GDCDRL
COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1C(=O)[O-]	ZINC000831328781	602200538	/nfs/dbraw/zinc/20/05/38/602200538.db2.gz	YPBZBYGXHLGELL-UHFFFAOYSA-N	-2	0	377.334	1.508	20	10		GDCDRL
CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC000833643257	604725505	/nfs/dbraw/zinc/72/55/05/604725505.db2.gz	QAWJRHVZRPVEHU-NSHDSACASA-N	-2	0	384.435	1.848	20	10		GDCDRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000737679846	599826165	/nfs/dbraw/zinc/82/61/65/599826165.db2.gz	BISZJPCCETUMCV-UHFFFAOYSA-N	-2	0	395.345	1.376	20	10		GDCDRL
Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)c(CC(=O)[O-])s1	ZINC000739062510	600056247	/nfs/dbraw/zinc/05/62/47/600056247.db2.gz	RGMFGHJSARNWRS-UHFFFAOYSA-N	-2	0	378.435	1.972	20	10		GDCDRL
COc1ccccc1-c1csc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000832582688	600976669	/nfs/dbraw/zinc/97/66/69/600976669.db2.gz	GDKGEZMOLDJEFJ-UHFFFAOYSA-N	-2	0	394.434	1.901	20	10		GDCDRL
Cc1nn2cc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cnc2c1Cl	ZINC000766322563	655263967	/nfs/dbraw/zinc/26/39/67/655263967.db2.gz	SAVNGNWHHWHBIS-UHFFFAOYSA-N	-2	0	382.785	1.896	20	10		GDCDRL
O=C([O-])Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC001595137652	952064519	/nfs/dbraw/zinc/06/45/19/952064519.db2.gz	FZBMZQKKRUSARM-UHFFFAOYSA-N	-3	0	381.391	1.932	20	10		GDCDRL
O=C([O-])[C@@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000833772446	604702405	/nfs/dbraw/zinc/70/24/05/604702405.db2.gz	NFUBGRXKBUJJGS-LBPRGKRZSA-N	-2	0	396.446	1.944	20	10		GDCDRL
COC(=O)c1cc(-c2csc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)c[nH]1	ZINC000831235637	600976940	/nfs/dbraw/zinc/97/69/40/600976940.db2.gz	BCSSQAPMLQXSSE-UHFFFAOYSA-N	-2	0	396.406	1.752	20	10		GDCDRL
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCN(C(=O)[O-])[C@@H](C)C2)c1	ZINC000738585527	603050889	/nfs/dbraw/zinc/05/08/89/603050889.db2.gz	JQMLCJPQALMSTB-AWEZNQCLSA-N	-2	0	391.468	1.611	20	10		GDCDRL
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776433563	978748349	/nfs/dbraw/zinc/74/83/49/978748349.db2.gz	WBKTUTKNELMKQA-UHFFFAOYSA-N	-2	0	380.378	1.858	20	10		GDCDRL
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775286541	654663803	/nfs/dbraw/zinc/66/38/03/654663803.db2.gz	WFLJTWWKJGUCFE-UHFFFAOYSA-N	-2	0	390.370	1.644	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)ccc1[O-]	ZINC000790408435	655048432	/nfs/dbraw/zinc/04/84/32/655048432.db2.gz	ZCKGIQZZSBEYBR-UHFFFAOYSA-N	-2	0	392.405	1.688	20	10		GDCDRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC001598966297	998426936	/nfs/dbraw/zinc/42/69/36/998426936.db2.gz	VHVIGYQUWLHZJZ-UHFFFAOYSA-N	-2	0	393.373	1.880	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl	ZINC000392120289	599736201	/nfs/dbraw/zinc/73/62/01/599736201.db2.gz	YRLOTXRDXDZRMW-UHFFFAOYSA-N	-2	0	394.814	1.804	20	10		GDCDRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC000758163346	655052762	/nfs/dbraw/zinc/05/27/62/655052762.db2.gz	QYJHMEFCILWCKH-UHFFFAOYSA-N	-2	0	380.209	1.869	20	10		GDCDRL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434949	654689562	/nfs/dbraw/zinc/68/95/62/654689562.db2.gz	SCQFTPGRJLSURP-UHFFFAOYSA-N	-2	0	386.769	1.726	20	10		GDCDRL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)s1	ZINC000790406024	655047747	/nfs/dbraw/zinc/04/77/47/655047747.db2.gz	APERLGLVDNENDM-UHFFFAOYSA-N	-2	0	376.481	1.725	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1[O-]	ZINC000790406893	655048132	/nfs/dbraw/zinc/04/81/32/655048132.db2.gz	JIKARVGCVTVOOL-UHFFFAOYSA-N	-2	0	387.395	1.009	20	10		GDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000779459858	978783918	/nfs/dbraw/zinc/78/39/18/978783918.db2.gz	VAJFJLSQTFXQOA-UHFFFAOYSA-N	-2	0	381.362	1.686	20	10		GDCDRL
C[C@@H](OC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)C(=O)[O-]	ZINC001593563844	995653609	/nfs/dbraw/zinc/65/36/09/995653609.db2.gz	CJECVUSDYVFJAN-MRVPVSSYSA-N	-2	0	399.402	1.454	20	10		GDCDRL
COc1cc([N-]S(=O)(=O)c2cccc3nonc32)c(C(=O)[O-])cc1OC	ZINC000765031932	602195022	/nfs/dbraw/zinc/19/50/22/602195022.db2.gz	BOCIMAGZRYADQF-UHFFFAOYSA-N	-2	0	379.350	1.739	20	10		GDCDRL
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cc(C(=O)[O-])no3)C2)cc1	ZINC001599586476	993619898	/nfs/dbraw/zinc/61/98/98/993619898.db2.gz	QWAYIDSDKCYRQS-NSHDSACASA-N	-2	0	381.410	1.186	20	10		GDCDRL
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(OC)c1C(=O)[O-]	ZINC000833734557	604862065	/nfs/dbraw/zinc/86/20/65/604862065.db2.gz	MSUYSNKDUYMDFZ-UHFFFAOYSA-N	-2	0	397.361	1.607	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2sc(C)nc2C)ccc1[O-]	ZINC000790406087	655047895	/nfs/dbraw/zinc/04/78/95/655047895.db2.gz	BZKPGLVXULEPHY-UHFFFAOYSA-N	-2	0	377.469	1.174	20	10		GDCDRL
Cc1nc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(Br)n1C	ZINC000808108337	655098299	/nfs/dbraw/zinc/09/82/99/655098299.db2.gz	UCMXSXDACYMUQX-UHFFFAOYSA-N	-2	0	391.203	1.906	20	10		GDCDRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(F)cc1F	ZINC001598955185	998226878	/nfs/dbraw/zinc/22/68/78/998226878.db2.gz	JSXMBABIVUEQQJ-UHFFFAOYSA-N	-2	0	387.316	1.956	20	10		GDCDRL
O=C([O-])CCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000819448537	601385781	/nfs/dbraw/zinc/38/57/81/601385781.db2.gz	JVCXTVCTDHNUEG-UHFFFAOYSA-N	-2	0	384.435	1.849	20	10		GDCDRL
COC(=O)c1ccc(C=C(Cl)c2nc3c(c(=O)[n-]2)=C(C)C(C(=O)[O-])=S=3)[nH]1	ZINC000831378611	601445191	/nfs/dbraw/zinc/44/51/91/601445191.db2.gz	AFIBVFKKYRBLCD-VMPITWQZSA-N	-2	0	393.808	1.459	20	10		GDCDRL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000753521264	654952107	/nfs/dbraw/zinc/95/21/07/654952107.db2.gz	KQKYPGHMCXSGRV-UHFFFAOYSA-N	-2	0	388.379	1.958	20	10		GDCDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)s1	ZINC000754748519	654978620	/nfs/dbraw/zinc/97/86/20/654978620.db2.gz	DTSFFIPHBCXOSA-UHFFFAOYSA-N	-2	0	391.452	1.322	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1[O-]	ZINC000790072064	655040588	/nfs/dbraw/zinc/04/05/88/655040588.db2.gz	WLWLFOPATRIHHR-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
O=C([O-])CN1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC001595084942	951718930	/nfs/dbraw/zinc/71/89/30/951718930.db2.gz	ZAJHUSTVAIIMSM-SNVBAGLBSA-N	-2	0	375.208	1.638	20	10		GDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000779459095	978783981	/nfs/dbraw/zinc/78/39/81/978783981.db2.gz	ORXUFFFWSZCNQG-UHFFFAOYSA-N	-2	0	381.362	1.686	20	10		GDCDRL
CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000737038779	599738453	/nfs/dbraw/zinc/73/84/53/599738453.db2.gz	HRPCZILAOCBCFA-UHFFFAOYSA-N	-2	0	388.423	1.930	20	10		GDCDRL
CN(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830639897	600679905	/nfs/dbraw/zinc/67/99/05/600679905.db2.gz	SUFZGLKZWDLAFJ-UHFFFAOYSA-N	-2	0	389.437	1.825	20	10		GDCDRL
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000825942311	601374752	/nfs/dbraw/zinc/37/47/52/601374752.db2.gz	QZVZMVGARUGQLK-GOSISDBHSA-N	-2	0	392.452	1.103	20	10		GDCDRL
Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000829961155	605283436	/nfs/dbraw/zinc/28/34/36/605283436.db2.gz	AAVCRFSVBZOLRO-CYBMUJFWSA-N	-2	0	392.437	1.301	20	10		GDCDRL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)s1	ZINC000728015687	654882114	/nfs/dbraw/zinc/88/21/14/654882114.db2.gz	UYGHZTYXICQNQE-UHFFFAOYSA-N	-2	0	390.464	1.927	20	10		GDCDRL
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC000825942312	601374969	/nfs/dbraw/zinc/37/49/69/601374969.db2.gz	QZVZMVGARUGQLK-SFHVURJKSA-N	-2	0	392.452	1.103	20	10		GDCDRL
CC1=c2c(nc(C(Cl)=Cc3cccc4nccn43)[n-]c2=O)=S=C1C(=O)[O-]	ZINC000832853291	604841789	/nfs/dbraw/zinc/84/17/89/604841789.db2.gz	UIWPUQJQENYYFP-YFHOEESVSA-N	-2	0	386.820	1.992	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1[O-]	ZINC000790407591	655048180	/nfs/dbraw/zinc/04/81/80/655048180.db2.gz	OFWZOHMTDPWPBZ-UHFFFAOYSA-N	-2	0	377.831	1.150	20	10		GDCDRL
C[C@H](OC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)C(=O)[O-]	ZINC001593563845	995653641	/nfs/dbraw/zinc/65/36/41/995653641.db2.gz	CJECVUSDYVFJAN-QMMMGPOBSA-N	-2	0	399.402	1.454	20	10		GDCDRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])s1	ZINC000776433092	654689527	/nfs/dbraw/zinc/68/95/27/654689527.db2.gz	NLVLYPYDGLJIJO-UHFFFAOYSA-N	-2	0	384.435	1.631	20	10		GDCDRL
Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)c(CC(=O)[O-])s2)n1	ZINC000739038421	600056212	/nfs/dbraw/zinc/05/62/12/600056212.db2.gz	GUXNOPQFHNSTQM-UHFFFAOYSA-N	-2	0	378.435	1.972	20	10		GDCDRL
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(OCC(=O)[O-])c1	ZINC000734482867	654534878	/nfs/dbraw/zinc/53/48/78/654534878.db2.gz	FTIAETAJYBBXFT-NYYWCZLTSA-N	-2	0	383.403	1.444	20	10		GDCDRL
C[C@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC001589064195	955741005	/nfs/dbraw/zinc/74/10/05/955741005.db2.gz	LAPJDHHEMHQHJY-SECBINFHSA-N	-2	0	384.435	1.705	20	10		GDCDRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000737653881	599826296	/nfs/dbraw/zinc/82/62/96/599826296.db2.gz	KQBCEFJNVFSEKY-UHFFFAOYSA-N	-2	0	395.345	1.376	20	10		GDCDRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000831371121	601242013	/nfs/dbraw/zinc/24/20/13/601242013.db2.gz	SWPJNZHNKMFKDG-UHFFFAOYSA-N	-2	0	395.345	1.376	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)ccc1O	ZINC000823387796	606866984	/nfs/dbraw/zinc/86/69/84/606866984.db2.gz	YHUUEOPDQQTTRM-UHFFFAOYSA-N	-2	0	395.784	1.725	20	10		GDCDRL
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000728015821	654882052	/nfs/dbraw/zinc/88/20/52/654882052.db2.gz	WROIBLCMHNXKLC-UHFFFAOYSA-N	-2	0	389.411	1.162	20	10		GDCDRL
C[C@@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC001589064196	955741293	/nfs/dbraw/zinc/74/12/93/955741293.db2.gz	LAPJDHHEMHQHJY-VIFPVBQESA-N	-2	0	384.435	1.705	20	10		GDCDRL
COC[C@]1(C(=O)[O-])CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC001604564640	973625533	/nfs/dbraw/zinc/62/55/33/973625533.db2.gz	MPVPVEHCYCZYLY-AWEZNQCLSA-N	-2	0	378.194	1.596	20	10		GDCDRL
COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776433075	978748064	/nfs/dbraw/zinc/74/80/64/978748064.db2.gz	LZYUQMNBOMNDEJ-UHFFFAOYSA-N	-2	0	381.362	1.686	20	10		GDCDRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC001598967375	998448388	/nfs/dbraw/zinc/44/83/88/998448388.db2.gz	CVEIQMADLXFTRV-UHFFFAOYSA-N	-2	0	381.362	1.686	20	10		GDCDRL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1	ZINC000830137147	601837043	/nfs/dbraw/zinc/83/70/43/601837043.db2.gz	YTIVLRIOHIHQMA-UHFFFAOYSA-N	-2	0	391.452	1.404	20	10		GDCDRL
CS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)cc(C(=O)[O-])c1	ZINC000765096193	602201452	/nfs/dbraw/zinc/20/14/52/602201452.db2.gz	WCZYTNICLWUIMA-UHFFFAOYSA-N	-2	0	397.390	1.125	20	10		GDCDRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000775288499	654663921	/nfs/dbraw/zinc/66/39/21/654663921.db2.gz	NPOYTBJKNOKXHA-UHFFFAOYSA-N	-2	0	385.423	1.841	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1C(=O)[O-]	ZINC000728014912	654882147	/nfs/dbraw/zinc/88/21/47/654882147.db2.gz	JZBPNHJHBAWYQL-UHFFFAOYSA-N	-2	0	388.398	1.696	20	10		GDCDRL
CCc1ncc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)s1	ZINC000790408443	655048351	/nfs/dbraw/zinc/04/83/51/655048351.db2.gz	ZNXNXAQPVJIURU-UHFFFAOYSA-N	-2	0	377.469	1.120	20	10		GDCDRL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C	ZINC000737226244	599738519	/nfs/dbraw/zinc/73/85/19/599738519.db2.gz	HSXGUZOZEUCHMN-UHFFFAOYSA-N	-2	0	388.423	1.849	20	10		GDCDRL
CC(C)(NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC000833460803	604704835	/nfs/dbraw/zinc/70/48/35/604704835.db2.gz	JYDTYYMDRCJTLA-UHFFFAOYSA-N	-2	0	384.435	1.848	20	10		GDCDRL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1C	ZINC000833666112	605185342	/nfs/dbraw/zinc/18/53/42/605185342.db2.gz	UJILHJHYQRIRLY-UHFFFAOYSA-N	-2	0	388.423	1.849	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1[O-]	ZINC000790403759	655047928	/nfs/dbraw/zinc/04/79/28/655047928.db2.gz	ATIPKLYNCPIXSI-UHFFFAOYSA-N	-2	0	382.872	1.816	20	10		GDCDRL
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000799539383	655293926	/nfs/dbraw/zinc/29/39/26/655293926.db2.gz	GVZADPZPNHAQMQ-UHFFFAOYSA-N	-2	0	387.395	1.009	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1O	ZINC000757656227	655041819	/nfs/dbraw/zinc/04/18/19/655041819.db2.gz	OIHCGOXKDBEDKU-UHFFFAOYSA-N	-2	0	384.753	1.979	20	10		GDCDRL
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113589	655098517	/nfs/dbraw/zinc/09/85/17/655098517.db2.gz	DPCNMBUYGXETMW-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2sc(C)cc2C)ccc1[O-]	ZINC000814211921	655258754	/nfs/dbraw/zinc/25/87/54/655258754.db2.gz	VMSFJGJYESPLRP-UHFFFAOYSA-N	-2	0	376.481	1.779	20	10		GDCDRL
Cc1ccc([C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(=O)[O-])cc1	ZINC000738567645	978562284	/nfs/dbraw/zinc/56/22/84/978562284.db2.gz	RWRMDIBXDBRIEY-OAHLLOKOSA-N	-2	0	392.433	1.670	20	10		GDCDRL
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCN(C(=O)[O-])C[C@@H]2C)c1	ZINC000738585516	602859976	/nfs/dbraw/zinc/85/99/76/602859976.db2.gz	JJTRORYRXGENHK-AWEZNQCLSA-N	-2	0	391.468	1.611	20	10		GDCDRL
C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000817757398	596918807	/nfs/dbraw/zinc/91/88/07/596918807.db2.gz	YHVXYGKTRBBBGR-VIFPVBQESA-N	-2	0	384.435	1.800	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccc1[O-]	ZINC000790407734	655048170	/nfs/dbraw/zinc/04/81/70/655048170.db2.gz	OYTNJCMWXYIWAS-UHFFFAOYSA-N	-2	0	392.405	1.688	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)ccc1[O-]	ZINC000808110613	655098419	/nfs/dbraw/zinc/09/84/19/655098419.db2.gz	VVTWQVVKLUNGTG-UHFFFAOYSA-N	-2	0	391.858	1.458	20	10		GDCDRL
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000392299966	677677935	/nfs/dbraw/zinc/67/79/35/677677935.db2.gz	DRSSRJFBRYGEOF-UHFFFAOYSA-N	-2	0	389.382	1.434	20	10		GDCDRL
O=C([O-])CN1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC001595084939	951718848	/nfs/dbraw/zinc/71/88/48/951718848.db2.gz	ZAJHUSTVAIIMSM-JTQLQIEISA-N	-2	0	375.208	1.638	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1[O-]	ZINC000790406879	655048200	/nfs/dbraw/zinc/04/82/00/655048200.db2.gz	ITHVYUAIXQGGRV-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
Cc1ccc([C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C(=O)[O-])cc1	ZINC000738567642	978562160	/nfs/dbraw/zinc/56/21/60/978562160.db2.gz	RWRMDIBXDBRIEY-HNNXBMFYSA-N	-2	0	392.433	1.670	20	10		GDCDRL
O=C([O-])NCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000832658271	603751862	/nfs/dbraw/zinc/75/18/62/603751862.db2.gz	MHGKBXIZFJKJLN-UHFFFAOYSA-N	-2	0	385.423	1.252	20	10		GDCDRL
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000559328580	650732239	/nfs/dbraw/zinc/73/22/39/650732239.db2.gz	XPOMQKFDMWEHEL-UHFFFAOYSA-N	-2	0	375.395	1.173	20	10		GDCDRL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc3nsnc31)OCO2	ZINC000514736557	648463829	/nfs/dbraw/zinc/46/38/29/648463829.db2.gz	XPAPSHCLKGPIRS-UHFFFAOYSA-N	-2	0	379.375	1.919	20	10		GDCDRL
Cc1ccsc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000741658018	654691171	/nfs/dbraw/zinc/69/11/71/654691171.db2.gz	ZBFMEAZWIMQRBJ-UHFFFAOYSA-N	-2	0	390.464	1.927	20	10		GDCDRL
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753016217	978693466	/nfs/dbraw/zinc/69/34/66/978693466.db2.gz	IXQUNJWJPXWBBY-UHFFFAOYSA-N	-2	0	386.332	1.286	20	10		GDCDRL
COc1ccc(-n2c(C)cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2C)cc1	ZINC001599473656	998490961	/nfs/dbraw/zinc/49/09/61/998490961.db2.gz	NFEPLCLNALNKIY-UHFFFAOYSA-N	-2	0	380.422	1.637	20	10		GDCDRL
COC(=O)c1ccc(C=C(Cl)c2nc3c(c(=O)[n-]2)=C(C)C(C(=O)[O-])=S=3)[nH]1	ZINC000831378612	601445084	/nfs/dbraw/zinc/44/50/84/601445084.db2.gz	AFIBVFKKYRBLCD-YVMONPNESA-N	-2	0	393.808	1.459	20	10		GDCDRL
O=C([O-])N1CC(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC000833130261	604771148	/nfs/dbraw/zinc/77/11/48/604771148.db2.gz	LCDXMHFDGZXHBV-UHFFFAOYSA-N	-3	0	397.434	1.347	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1[O-]	ZINC000790405707	655047754	/nfs/dbraw/zinc/04/77/54/655047754.db2.gz	LQWJDVAYISMVAQ-UHFFFAOYSA-N	-2	0	378.378	1.379	20	10		GDCDRL
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113747	655098708	/nfs/dbraw/zinc/09/87/08/655098708.db2.gz	IJPUARMBSUGNDR-UHFFFAOYSA-N	-2	0	380.806	1.633	20	10		GDCDRL
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000326395533	971290022	/nfs/dbraw/zinc/29/00/22/971290022.db2.gz	MEJNCZQELXDCKW-UHFFFAOYSA-N	-2	0	389.382	1.434	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000023398263	644270168	/nfs/dbraw/zinc/27/01/68/644270168.db2.gz	QYELBQYNAYAKDW-UHFFFAOYSA-N	-2	0	376.437	1.619	20	10		GDCDRL
Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)n2)s1	ZINC000832994502	600976897	/nfs/dbraw/zinc/97/68/97/600976897.db2.gz	LKGSFHZFEDFVOS-UHFFFAOYSA-N	-2	0	399.479	1.965	20	10		GDCDRL
O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000834244670	606081510	/nfs/dbraw/zinc/08/15/10/606081510.db2.gz	DJLIXBWQMUZURB-UHFFFAOYSA-N	-2	0	378.366	1.670	20	10		GDCDRL
CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753019643	654940768	/nfs/dbraw/zinc/94/07/68/654940768.db2.gz	RKUMYROWAIYIGR-UHFFFAOYSA-N	-2	0	392.405	1.722	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1[O-]	ZINC000790408297	655048316	/nfs/dbraw/zinc/04/83/16/655048316.db2.gz	VLLPWJDPYMXPGY-UHFFFAOYSA-N	-2	0	376.481	1.779	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1[O-]	ZINC000790408293	655048360	/nfs/dbraw/zinc/04/83/60/655048360.db2.gz	VIHDXLVFUWMSKD-UHFFFAOYSA-N	-2	0	378.378	1.379	20	10		GDCDRL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1OC	ZINC000288481183	532291945	/nfs/dbraw/zinc/29/19/45/532291945.db2.gz	LEDOPUKISPRXPZ-UHFFFAOYSA-N	-2	0	388.471	1.300	20	10		GDCDRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000737688974	599826267	/nfs/dbraw/zinc/82/62/67/599826267.db2.gz	RCDDMLIOEOLKNR-UHFFFAOYSA-N	-3	0	395.345	1.376	20	10		GDCDRL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1	ZINC000830136993	601232738	/nfs/dbraw/zinc/23/27/38/601232738.db2.gz	QFBCUBANBYUSGT-UHFFFAOYSA-N	-2	0	388.423	1.849	20	10		GDCDRL
Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)c(C)o1	ZINC000776275502	654686588	/nfs/dbraw/zinc/68/65/88/654686588.db2.gz	FFAAKQMUVIWEKA-UHFFFAOYSA-N	-2	0	388.423	1.767	20	10		GDCDRL
O=C([O-])COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1[N+](=O)[O-]	ZINC000731663920	978299746	/nfs/dbraw/zinc/29/97/46/978299746.db2.gz	IDUBXXYUMSWKPL-ONNFQVAWSA-N	-2	0	398.374	1.344	20	10		GDCDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc3nonc32)c1OC	ZINC000765099903	602199583	/nfs/dbraw/zinc/19/95/83/602199583.db2.gz	ZLLAMLKPMJTBHK-UHFFFAOYSA-N	-2	0	379.350	1.739	20	10		GDCDRL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000757653877	655041935	/nfs/dbraw/zinc/04/19/35/655041935.db2.gz	DKVUZPNNVCWUBV-UHFFFAOYSA-N	-2	0	384.435	1.631	20	10		GDCDRL
Cn1[nH]cnc1=NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000762567804	655170471	/nfs/dbraw/zinc/17/04/71/655170471.db2.gz	DRQPNWAGWXCOQC-UHFFFAOYSA-N	-2	0	379.423	1.057	20	10		GDCDRL
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(OC)c1C(=O)[O-]	ZINC000833734451	604859179	/nfs/dbraw/zinc/85/91/79/604859179.db2.gz	FPNVQPMNUHTNBP-UHFFFAOYSA-N	-2	0	381.362	1.932	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1C(=O)[O-]	ZINC000728014526	654882170	/nfs/dbraw/zinc/88/21/70/654882170.db2.gz	CPFCSNDZCGAYLF-UHFFFAOYSA-N	-2	0	389.386	1.091	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1[O-]	ZINC000790404774	655047729	/nfs/dbraw/zinc/04/77/29/655047729.db2.gz	HLWSPRDIQMZUIA-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2SC)ccc1[O-]	ZINC000790408291	655048186	/nfs/dbraw/zinc/04/81/86/655048186.db2.gz	VHTWNDCKKFEMPE-UHFFFAOYSA-N	-2	0	388.492	1.823	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1[O-]	ZINC000790408444	655048365	/nfs/dbraw/zinc/04/83/65/655048365.db2.gz	ZOOLNRGPSXDTFW-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000799539844	655293795	/nfs/dbraw/zinc/29/37/95/655293795.db2.gz	CDDDYXUKLKAYSO-UHFFFAOYSA-N	-2	0	387.395	1.009	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)ccc1O	ZINC000823387043	606866996	/nfs/dbraw/zinc/86/69/96/606866996.db2.gz	BNWRWJPGHONWEM-UHFFFAOYSA-N	-2	0	379.329	1.210	20	10		GDCDRL
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(OCC(=O)[O-])c1	ZINC000734482870	654534839	/nfs/dbraw/zinc/53/48/39/654534839.db2.gz	FTIAETAJYBBXFT-WCIBSUBMSA-N	-2	0	383.403	1.444	20	10		GDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000776434667	654689555	/nfs/dbraw/zinc/68/95/55/654689555.db2.gz	JAOVAWGAAKWSLL-UHFFFAOYSA-N	-2	0	384.753	1.979	20	10		GDCDRL
COCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC001599280763	996893642	/nfs/dbraw/zinc/89/36/42/996893642.db2.gz	HYNAKUMMVODLPA-UHFFFAOYSA-N	-2	0	381.362	1.736	20	10		GDCDRL
Cn1cc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1C(N)=O	ZINC000739037558	600055294	/nfs/dbraw/zinc/05/52/94/600055294.db2.gz	USVIMHBVRASVTM-UHFFFAOYSA-N	-2	0	395.422	1.075	20	10		GDCDRL
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1C(=O)[O-]	ZINC000831434824	600688506	/nfs/dbraw/zinc/68/85/06/600688506.db2.gz	FRYVFUBKCKCQIR-UHFFFAOYSA-N	-2	0	393.402	1.977	20	10		GDCDRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000831242623	601241942	/nfs/dbraw/zinc/24/19/42/601241942.db2.gz	LVPDEUDVOWVGGB-UHFFFAOYSA-N	-2	0	395.345	1.376	20	10		GDCDRL
O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000832672126	604750158	/nfs/dbraw/zinc/75/01/58/604750158.db2.gz	NKDCRBXHTHLDLB-UHFFFAOYSA-N	-2	0	378.366	1.670	20	10		GDCDRL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757659624	655041810	/nfs/dbraw/zinc/04/18/10/655041810.db2.gz	YHJWXSYQEUZKLJ-UHFFFAOYSA-N	-2	0	386.769	1.726	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1[O-]	ZINC000790404032	655047912	/nfs/dbraw/zinc/04/79/12/655047912.db2.gz	COEPYCOMNYBWMA-UHFFFAOYSA-N	-2	0	376.481	1.779	20	10		GDCDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc3c(s2)COc2ccccc2-3)cn1	ZINC000833274099	600975394	/nfs/dbraw/zinc/97/53/94/600975394.db2.gz	PBQQKZDZEDJBJX-UHFFFAOYSA-N	-2	0	392.418	1.784	20	10		GDCDRL
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1C(=O)[O-]	ZINC000831434797	602200755	/nfs/dbraw/zinc/20/07/55/602200755.db2.gz	DFZIYRQWWGSUFR-UHFFFAOYSA-N	-2	0	377.334	1.508	20	10		GDCDRL
Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000829961159	605283389	/nfs/dbraw/zinc/28/33/89/605283389.db2.gz	AAVCRFSVBZOLRO-ZDUSSCGKSA-N	-2	0	392.437	1.301	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000728015530	654881982	/nfs/dbraw/zinc/88/19/82/654881982.db2.gz	RWHXICYHAJZEDF-UHFFFAOYSA-N	-2	0	376.437	1.619	20	10		GDCDRL
CN(CCC(=O)[O-])C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000818439872	597013925	/nfs/dbraw/zinc/01/39/25/597013925.db2.gz	GTMIHSCZFHVGPT-UHFFFAOYSA-N	-3	0	384.435	1.801	20	10		GDCDRL
CC1=c2c(nc(C(Cl)=Cc3cccc4nccn43)[n-]c2=O)=S=C1C(=O)[O-]	ZINC000832853290	604841616	/nfs/dbraw/zinc/84/16/16/604841616.db2.gz	UIWPUQJQENYYFP-JXMROGBWSA-N	-2	0	386.820	1.992	20	10		GDCDRL
O=C([O-])CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000833239297	601863718	/nfs/dbraw/zinc/86/37/18/601863718.db2.gz	FYPAZONAOITULY-UHFFFAOYSA-N	-2	0	381.362	1.745	20	10		GDCDRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC001598967314	998446970	/nfs/dbraw/zinc/44/69/70/998446970.db2.gz	ASBWXWCPPKKNSX-UHFFFAOYSA-N	-2	0	393.373	1.880	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1[O-]	ZINC000790405524	655047901	/nfs/dbraw/zinc/04/79/01/655047901.db2.gz	LEVIAWVPBCLSDV-UHFFFAOYSA-N	-2	0	378.378	1.379	20	10		GDCDRL
COc1ccc(N2CCC([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)CC2)cc1	ZINC001599586160	993616221	/nfs/dbraw/zinc/61/62/21/993616221.db2.gz	MGMPNTQWCBGVCX-UHFFFAOYSA-N	-2	0	381.410	1.329	20	10		GDCDRL
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1	ZINC000751207656	654877005	/nfs/dbraw/zinc/87/70/05/654877005.db2.gz	FJZYLRVEHWETTL-UHFFFAOYSA-N	-2	0	386.407	1.263	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1[O-]	ZINC000790406128	655047817	/nfs/dbraw/zinc/04/78/17/655047817.db2.gz	CRSRVWVZQZBIKE-UHFFFAOYSA-N	-2	0	396.368	1.518	20	10		GDCDRL
CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(OCC(=O)[O-])cc1	ZINC001598448898	991899406	/nfs/dbraw/zinc/89/94/06/991899406.db2.gz	XRKGNZHKOPCXRI-UHFFFAOYSA-N	-2	0	375.406	1.608	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1Cl	ZINC000833737970	605186434	/nfs/dbraw/zinc/18/64/34/605186434.db2.gz	OTIMYPNUUHHCTC-UHFFFAOYSA-N	-2	0	394.814	1.804	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccc1O	ZINC000823387534	606866707	/nfs/dbraw/zinc/86/67/07/606866707.db2.gz	ODANXDNQLVUXEK-UHFFFAOYSA-N	-2	0	397.319	1.350	20	10		GDCDRL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])s1	ZINC000776432805	654689361	/nfs/dbraw/zinc/68/93/61/654689361.db2.gz	FVACBPAWOINEQA-UHFFFAOYSA-N	-2	0	387.391	1.748	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1[O-]	ZINC000790406073	655047829	/nfs/dbraw/zinc/04/78/29/655047829.db2.gz	BJCRWERUUJEZIR-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000728149309	978292027	/nfs/dbraw/zinc/29/20/27/978292027.db2.gz	DFTAERNLRBZPQQ-UHFFFAOYSA-N	-2	0	380.353	1.915	20	10		GDCDRL
Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1-c1nn[nH]n1	ZINC000826304135	607537278	/nfs/dbraw/zinc/53/72/78/607537278.db2.gz	XWFYQBWYSXFVPJ-UHFFFAOYSA-N	-2	0	375.366	1.380	20	10		GDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)ccc1O	ZINC000823387683	606866415	/nfs/dbraw/zinc/86/64/15/606866415.db2.gz	UKCPLGBDVAFKOC-UHFFFAOYSA-N	-2	0	379.329	1.210	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1[O-]	ZINC000790406132	655047908	/nfs/dbraw/zinc/04/79/08/655047908.db2.gz	CSKYGLMHSMTDIB-UHFFFAOYSA-N	-2	0	382.419	1.847	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1[O-]	ZINC000790407806	655048022	/nfs/dbraw/zinc/04/80/22/655048022.db2.gz	RLKQSLAAFMVMCK-UHFFFAOYSA-N	-2	0	376.843	1.755	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)ccc1[O-]	ZINC000790406097	655047833	/nfs/dbraw/zinc/04/78/33/655047833.db2.gz	CFLCHUXTKIDFCT-UHFFFAOYSA-N	-2	0	399.475	1.711	20	10		GDCDRL
Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1C(=O)[O-]	ZINC000327283351	971383226	/nfs/dbraw/zinc/38/32/26/971383226.db2.gz	KBIFJYSYVWGFAY-UHFFFAOYSA-N	-2	0	388.423	1.767	20	10		GDCDRL
C[C@@H](CC(=O)[O-])NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC001599833834	988713460	/nfs/dbraw/zinc/71/34/60/988713460.db2.gz	DNCUHPLHWAWQAW-VIFPVBQESA-N	-2	0	384.435	1.848	20	10		GDCDRL
C[C@H](C(=O)[O-])N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000817757396	596919260	/nfs/dbraw/zinc/91/92/60/596919260.db2.gz	YHVXYGKTRBBBGR-SECBINFHSA-N	-2	0	384.435	1.800	20	10		GDCDRL
O=C([O-])[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC000833191629	601210443	/nfs/dbraw/zinc/21/04/43/601210443.db2.gz	FSPOCTROJPIXDR-JTQLQIEISA-N	-2	0	396.446	1.801	20	10		GDCDRL
CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000773255795	654587588	/nfs/dbraw/zinc/58/75/88/654587588.db2.gz	SBZGIMYQOLQTDQ-UHFFFAOYSA-N	-2	0	386.386	1.534	20	10		GDCDRL
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000826497693	609156557	/nfs/dbraw/zinc/15/65/57/609156557.db2.gz	QIFVASUPASKIBN-UHFFFAOYSA-N	-2	0	396.772	1.935	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1[O-]	ZINC000790406474	655047781	/nfs/dbraw/zinc/04/77/81/655047781.db2.gz	PJSNDRTYNQHCSI-UHFFFAOYSA-N	-2	0	378.378	1.379	20	10		GDCDRL
CN(CC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1)C(=O)[O-]	ZINC000739656155	602407705	/nfs/dbraw/zinc/40/77/05/602407705.db2.gz	DEHTYXVCYCNXAG-UHFFFAOYSA-N	-2	0	385.442	1.226	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1	ZINC000327188809	645267706	/nfs/dbraw/zinc/26/77/06/645267706.db2.gz	AMZANTQYAJWKQY-UHFFFAOYSA-N	-2	0	388.398	1.696	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1[O-]	ZINC000790406944	655047999	/nfs/dbraw/zinc/04/79/99/655047999.db2.gz	JRLQDEHFFVCYKT-UHFFFAOYSA-N	-2	0	396.368	1.518	20	10		GDCDRL
COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c[nH]1	ZINC000831354014	600976665	/nfs/dbraw/zinc/97/66/65/600976665.db2.gz	RZSUSKXASJFGOK-UHFFFAOYSA-N	-2	0	396.406	1.752	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1	ZINC000832699575	601832468	/nfs/dbraw/zinc/83/24/68/601832468.db2.gz	LESAQZUKFJSUFE-UHFFFAOYSA-N	-2	0	377.425	1.014	20	10		GDCDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)n2)cn1	ZINC000833041316	600984600	/nfs/dbraw/zinc/98/46/00/600984600.db2.gz	PSUUSSPPTVHRQX-UHFFFAOYSA-N	-2	0	378.435	1.972	20	10		GDCDRL
Cc1nc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(Br)n1C	ZINC000319070829	645250594	/nfs/dbraw/zinc/25/05/94/645250594.db2.gz	ADVPKHFMZRMBIO-UHFFFAOYSA-N	-2	0	390.215	1.696	20	10		GDCDRL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775288486	654663797	/nfs/dbraw/zinc/66/37/97/654663797.db2.gz	NASBEYXAZUZPDN-UHFFFAOYSA-N	-2	0	387.757	1.936	20	10		GDCDRL
CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753020465	654940804	/nfs/dbraw/zinc/94/08/04/654940804.db2.gz	RWWSLIKCBRTYEI-UHFFFAOYSA-N	-2	0	378.378	1.843	20	10		GDCDRL
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001598949881	998128970	/nfs/dbraw/zinc/12/89/70/998128970.db2.gz	IDFGIRRSMBLXIU-UHFFFAOYSA-N	-2	0	375.374	1.705	20	10		GDCDRL
CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC000820411425	604723673	/nfs/dbraw/zinc/72/36/73/604723673.db2.gz	QAWJRHVZRPVEHU-LLVKDONJSA-N	-2	0	384.435	1.848	20	10		GDCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000326656904	645263831	/nfs/dbraw/zinc/26/38/31/645263831.db2.gz	CSMRVRKYNZXNJN-UHFFFAOYSA-N	-2	0	388.398	1.696	20	10		GDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000775287009	978747749	/nfs/dbraw/zinc/74/77/49/978747749.db2.gz	VHRAKBOLCRMTRX-UHFFFAOYSA-N	-2	0	387.316	1.956	20	10		GDCDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc3c(s2)CCc2ccccc2-3)cn1	ZINC000833274092	600975356	/nfs/dbraw/zinc/97/53/56/600975356.db2.gz	OTQHPXKEBOLCBU-UHFFFAOYSA-N	-2	0	390.446	1.991	20	10		GDCDRL
O=C([O-])[C@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000833772445	604702924	/nfs/dbraw/zinc/70/29/24/604702924.db2.gz	NFUBGRXKBUJJGS-GFCCVEGCSA-N	-2	0	396.446	1.944	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1[O-]	ZINC000790405350	655047718	/nfs/dbraw/zinc/04/77/18/655047718.db2.gz	JHDRNWJTUVOFSR-UHFFFAOYSA-N	-2	0	394.833	1.894	20	10		GDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1[O-]	ZINC000790407719	655048065	/nfs/dbraw/zinc/04/80/65/655048065.db2.gz	OPLOIRRXZVRWEE-UHFFFAOYSA-N	-2	0	396.368	1.518	20	10		GDCDRL