smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1	ZINC000021802200	182290840	/nfs/dbraw/zinc/29/08/40/182290840.db2.gz	VZZWQVHQJILVAN-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000008104517	425660584	/nfs/dbraw/zinc/66/05/84/425660584.db2.gz	WMTZXICVQLXJQC-UHFFFAOYSA-N	-2	1	319.382	2.813	50	0		DFAAML
CCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000013068862	425745898	/nfs/dbraw/zinc/74/58/98/425745898.db2.gz	PCCSJMJYCXORKL-UHFFFAOYSA-N	-2	1	305.355	2.748	50	0		DFAAML
CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000048382825	425875267	/nfs/dbraw/zinc/87/52/67/425875267.db2.gz	JJKPMOJYDGQTBA-UHFFFAOYSA-N	-2	1	321.354	2.584	50	0		DFAAML
CCc1cc2c([n-]c(=S)n([N-]C(=O)c3ccco3)c2=O)s1	ZINC000017055783	182073432	/nfs/dbraw/zinc/07/34/32/182073432.db2.gz	FMKSSRATQIOVHN-UHFFFAOYSA-N	-2	1	321.383	2.660	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1C	ZINC000035306490	425844058	/nfs/dbraw/zinc/84/40/58/425844058.db2.gz	VPPNBUNUYFFNOR-UHFFFAOYSA-N	-2	1	311.384	2.864	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1C	ZINC000047202325	425868504	/nfs/dbraw/zinc/86/85/04/425868504.db2.gz	INHGEAQZAQLYOM-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
CC(C)Cc1cc(C(=O)[O-])nc2c(-c3ccccc3)c(=O)[n-]n21	ZINC000096118468	426399382	/nfs/dbraw/zinc/39/93/82/426399382.db2.gz	QPHQSLYJTIZYEY-UHFFFAOYSA-N	-2	1	311.341	2.586	50	0		DFAAML
CS(=O)(=O)[N-]c1ccccc1Oc1ccsc1C(=O)[O-]	ZINC000003997515	181060357	/nfs/dbraw/zinc/06/03/57/181060357.db2.gz	GQCTZGDKOZRNCN-UHFFFAOYSA-N	-2	1	313.356	2.610	50	0		DFAAML
O=C([O-])c1ccc(C=NNC(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000252497920	542947574	/nfs/dbraw/zinc/94/75/74/542947574.db2.gz	IHUHIECFSMPHQN-UHFFFAOYSA-N	-2	1	318.716	2.508	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1F	ZINC000003201573	425611438	/nfs/dbraw/zinc/61/14/38/425611438.db2.gz	HVDSUSMMOPLWNJ-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
CSc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000007745756	425650601	/nfs/dbraw/zinc/65/06/01/425650601.db2.gz	RCSRNHMRTJRIDF-UHFFFAOYSA-N	-2	1	323.395	2.908	50	0		DFAAML
Cc1nc(S[C@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)[O-]	ZINC000026423606	425811996	/nfs/dbraw/zinc/81/19/96/425811996.db2.gz	NUEGZGFFDQSUAJ-SNVBAGLBSA-N	-2	1	304.371	2.559	50	0		DFAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000013345440	425753454	/nfs/dbraw/zinc/75/34/54/425753454.db2.gz	CZZUOTDUXBRXJT-RMKNXTFCSA-N	-2	1	321.329	2.724	50	0		DFAAML
CC(C)C[C@@H](CC(=O)[O-])NC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000220561265	426577031	/nfs/dbraw/zinc/57/70/31/426577031.db2.gz	JBGAUDVBRGBQGN-NSHDSACASA-N	-2	1	313.781	2.594	50	0		DFAAML
O=C([O-])c1ccccc1C(=O)c1nc2c([n-]1)-c1ccccc1C2=O	ZINC000005687452	181272563	/nfs/dbraw/zinc/27/25/63/181272563.db2.gz	GKGSAINEYBYADD-UHFFFAOYSA-N	-2	1	318.288	2.550	50	0		DFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000000342833	304248466	/nfs/dbraw/zinc/24/84/66/304248466.db2.gz	IBRLPMYEEPGIAK-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000071858379	542462253	/nfs/dbraw/zinc/46/22/53/542462253.db2.gz	NJDVGFXXYNDECI-UHFFFAOYSA-N	-2	1	322.386	2.811	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)[O-]	ZINC000000267736	425549309	/nfs/dbraw/zinc/54/93/09/425549309.db2.gz	KGOHZZJZGFIXAO-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1O	ZINC000047383620	425869463	/nfs/dbraw/zinc/86/94/63/425869463.db2.gz	GUAAHWDCOQYCBP-UHFFFAOYSA-N	-2	1	321.354	2.508	50	0		DFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1	ZINC000058377335	184110020	/nfs/dbraw/zinc/11/00/20/184110020.db2.gz	AYBYVNDGELBFTO-UHFFFAOYSA-N	-2	1	316.338	2.667	50	0		DFAAML
S=c1[n-]nc2n1-c1n[n-]c(=S)n1-c1sc3c(c1-2)CCC3	ZINC000005631116	425625209	/nfs/dbraw/zinc/62/52/09/425625209.db2.gz	VNGYQBMDQMDALH-UHFFFAOYSA-N	-2	1	320.428	2.704	50	0		DFAAML
Cc1nc(SCc2ccc(F)cc2)[n-]c(=O)c1CC(=O)[O-]	ZINC000025502718	425806208	/nfs/dbraw/zinc/80/62/08/425806208.db2.gz	KOZJCMTYQWBIGZ-UHFFFAOYSA-N	-2	1	308.334	2.549	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F	ZINC000013349004	425753252	/nfs/dbraw/zinc/75/32/52/425753252.db2.gz	LJBCUDBBEBOXNO-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
O=C([O-])c1cc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)ccc1O	ZINC000094986186	426361765	/nfs/dbraw/zinc/36/17/65/426361765.db2.gz	ZVMNAMBSXWLRBY-UHFFFAOYSA-N	-2	1	323.308	2.584	50	0		DFAAML
Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1	ZINC000056688243	601317285	/nfs/dbraw/zinc/31/72/85/601317285.db2.gz	SQNYOMOBQAFSAW-YFHOEESVSA-N	-2	1	317.366	2.894	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C(=O)[O-])c1	ZINC000058357096	184108086	/nfs/dbraw/zinc/10/80/86/184108086.db2.gz	ZTWGBLSNPWCXIU-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1F	ZINC000000619869	425570963	/nfs/dbraw/zinc/57/09/63/425570963.db2.gz	AJKYFGLLAORHRC-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F	ZINC000007405781	425644475	/nfs/dbraw/zinc/64/44/75/425644475.db2.gz	HUUJJIDXLITDEB-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
CC(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000021041152	280609983	/nfs/dbraw/zinc/60/99/83/280609983.db2.gz	PQZJTPKDSVLROE-UHFFFAOYSA-N	-2	1	308.359	2.637	50	0		DFAAML
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000007405647	181463104	/nfs/dbraw/zinc/46/31/04/181463104.db2.gz	PICSAGQQZUZTOS-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1F	ZINC000007708582	425651301	/nfs/dbraw/zinc/65/13/01/425651301.db2.gz	IJHRDFDPVVVITM-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2Cl)c1	ZINC000015243032	425780515	/nfs/dbraw/zinc/78/05/15/425780515.db2.gz	IZNGNWDRZNZENX-UHFFFAOYSA-N	-2	1	317.775	2.901	50	0		DFAAML
Cc1nc(SCc2cccc(Cl)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000026423603	425812147	/nfs/dbraw/zinc/81/21/47/425812147.db2.gz	HQUKYKXMJAIJLI-UHFFFAOYSA-N	-2	1	324.789	2.651	50	0		DFAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C	ZINC000041705575	183218301	/nfs/dbraw/zinc/21/83/01/183218301.db2.gz	KEVYLWRNMMHQFI-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F	ZINC000055311321	425892911	/nfs/dbraw/zinc/89/29/11/425892911.db2.gz	UBOQFJDEQUFVLO-UHFFFAOYSA-N	-2	1	313.306	2.535	50	0		DFAAML
CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000007057510	425634450	/nfs/dbraw/zinc/63/44/50/425634450.db2.gz	BLNRDKPUBPFMRG-UHFFFAOYSA-N	-2	1	323.345	2.887	50	0		DFAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000005132769	181208113	/nfs/dbraw/zinc/20/81/13/181208113.db2.gz	FCSTYLPPOAJOJX-UHFFFAOYSA-N	-2	1	323.345	2.644	50	0		DFAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000005133549	181208330	/nfs/dbraw/zinc/20/83/30/181208330.db2.gz	JMWYFDPUINZVNW-UHFFFAOYSA-N	-2	1	323.345	2.644	50	0		DFAAML
O=C([O-])CCc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1	ZINC000048312016	398780000	/nfs/dbraw/zinc/78/00/00/398780000.db2.gz	DSBLHWKPIKXAIT-UHFFFAOYSA-N	-2	1	300.339	2.669	50	0		DFAAML
CSc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000006702883	181374252	/nfs/dbraw/zinc/37/42/52/181374252.db2.gz	HYHITVNJWDSXGQ-UHFFFAOYSA-N	-2	1	323.395	2.908	50	0		DFAAML
Cc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1	ZINC000020022133	182179670	/nfs/dbraw/zinc/17/96/70/182179670.db2.gz	YPQJOKNONOTUKG-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
O=P([O-])([O-])[C@H](NCc1ccccc1F)c1ccc(F)cc1	ZINC000012997463	425745255	/nfs/dbraw/zinc/74/52/55/425745255.db2.gz	JDKHDWHECVNQOJ-AWEZNQCLSA-N	-2	1	313.240	2.931	50	0		DFAAML
COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000013348682	425754056	/nfs/dbraw/zinc/75/40/56/425754056.db2.gz	AYTYVEGEQZVZNY-UHFFFAOYSA-N	-2	1	321.354	2.503	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1	ZINC000035306770	425843988	/nfs/dbraw/zinc/84/39/88/425843988.db2.gz	ULCHXSDWVXDCPI-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000007056357	181435978	/nfs/dbraw/zinc/43/59/78/181435978.db2.gz	RHTVGRXGWDVMKF-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C)c1	ZINC000016623082	425786275	/nfs/dbraw/zinc/78/62/75/425786275.db2.gz	JQDPWGQSSNRXJX-UHFFFAOYSA-N	-2	1	311.384	2.864	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1F	ZINC000003226363	425611546	/nfs/dbraw/zinc/61/15/46/425611546.db2.gz	WVFRAPNZMVYAAR-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000014097283	425765987	/nfs/dbraw/zinc/76/59/87/425765987.db2.gz	BIDFXLDLAYLFRS-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(F)c1	ZINC000013300096	181841553	/nfs/dbraw/zinc/84/15/53/181841553.db2.gz	VRQWKKUIAIEVPE-UHFFFAOYSA-N	-2	1	315.347	2.695	50	0		DFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000001123449	425576145	/nfs/dbraw/zinc/57/61/45/425576145.db2.gz	JQVIQJNDKGSTPV-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000003190903	425611524	/nfs/dbraw/zinc/61/15/24/425611524.db2.gz	KPTXLBXBGAOYCO-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000007708160	425650369	/nfs/dbraw/zinc/65/03/69/425650369.db2.gz	OOFYBDQTHWXLLB-UHFFFAOYSA-N	-2	1	321.354	2.503	50	0		DFAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)s1	ZINC000032531868	425838767	/nfs/dbraw/zinc/83/87/67/425838767.db2.gz	BBGHXUVUCDWNGT-UHFFFAOYSA-N	-2	1	311.384	2.864	50	0		DFAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1	ZINC000076021663	500663178	/nfs/dbraw/zinc/66/31/78/500663178.db2.gz	ILFWZXWAENCAOS-UHFFFAOYSA-N	-2	1	323.345	2.562	50	0		DFAAML
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(OC)c2=O	ZINC000005732364	181278474	/nfs/dbraw/zinc/27/84/74/181278474.db2.gz	BJBUTJQYZDYRMJ-UHFFFAOYSA-N	-2	1	314.293	2.888	50	0	biogenic,in-vitro	DFAAML
Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C(=O)[O-])c1	ZINC000058364596	184109335	/nfs/dbraw/zinc/10/93/35/184109335.db2.gz	UPCPGTXLKDVEGJ-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O)cc1	ZINC000005733531	181278433	/nfs/dbraw/zinc/27/84/33/181278433.db2.gz	KZBAXKKOXPLOBX-UHFFFAOYSA-N	-2	1	314.293	2.888	50	0	biogenic,in-vitro	DFAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C	ZINC000065844579	184381038	/nfs/dbraw/zinc/38/10/38/184381038.db2.gz	LMNMWMLKTLOBFU-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
O=C([O-])/C=C/c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000000197606	425543368	/nfs/dbraw/zinc/54/33/68/425543368.db2.gz	QLLSDHIIBJLNIV-MDZDMXLPSA-N	-2	1	303.339	2.585	50	0		DFAAML
O=C([O-])[C@H](Sc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1	ZINC000012176684	425719584	/nfs/dbraw/zinc/71/95/84/425719584.db2.gz	CKWHPTRABNAVAE-CYBMUJFWSA-N	-2	1	316.382	2.979	50	0		DFAAML
O=C([O-])c1csc([N-]S(=O)(=O)/C=C/c2ccccc2)c1	ZINC000089821477	602115043	/nfs/dbraw/zinc/11/50/43/602115043.db2.gz	WVQYOCNJZAMHBH-VOTSOKGWSA-N	-2	1	309.368	2.859	50	0		DFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl	ZINC000000360236	425555243	/nfs/dbraw/zinc/55/52/43/425555243.db2.gz	BYKANEVMPOZIQF-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)s1	ZINC000024069935	182374254	/nfs/dbraw/zinc/37/42/54/182374254.db2.gz	UOEFLSZOOVDQDX-UHFFFAOYSA-N	-2	1	311.384	2.864	50	0		DFAAML
O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccccc3)ccc12	ZINC000065578972	184368505	/nfs/dbraw/zinc/36/85/05/184368505.db2.gz	RFLUJESYMIGMCV-UHFFFAOYSA-N	-2	1	316.338	2.667	50	0		DFAAML
O=C([O-])c1ccccc1C=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000252498264	542947093	/nfs/dbraw/zinc/94/70/93/542947093.db2.gz	ZLZRJXNZHAWDDI-UHFFFAOYSA-N	-2	1	318.716	2.508	50	0		DFAAML
CCCCc1c(C)nc(Nc2ccc(C(=O)[O-])cc2)[n-]c1=O	ZINC000005028326	181192660	/nfs/dbraw/zinc/19/26/60/181192660.db2.gz	UWQQKBHFZVWGTA-UHFFFAOYSA-N	-2	1	301.346	2.863	50	0		DFAAML
O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000050921420	304059569	/nfs/dbraw/zinc/05/95/69/304059569.db2.gz	NMJCVZGMRQYIQR-NSHDSACASA-N	-2	1	311.765	2.905	50	0		DFAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2)c1C	ZINC000008104907	425661286	/nfs/dbraw/zinc/66/12/86/425661286.db2.gz	ZFRGBFMAGSQAPR-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
CSc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000012525978	425729514	/nfs/dbraw/zinc/72/95/14/425729514.db2.gz	CGHRENXFDVIYRV-UHFFFAOYSA-N	-2	1	323.395	2.908	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(/C=C/C(=O)[O-])c2)cc1	ZINC000000163944	425540919	/nfs/dbraw/zinc/54/09/19/425540919.db2.gz	LCJDCYZTRRIDBL-JXMROGBWSA-N	-2	1	317.366	2.894	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F	ZINC000007405754	425644490	/nfs/dbraw/zinc/64/44/90/425644490.db2.gz	UJJDDEJVQVNXGT-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000008215849	425662563	/nfs/dbraw/zinc/66/25/63/425662563.db2.gz	GVVPGTZRZFNKDS-JXMROGBWSA-N	-2	1	314.211	2.905	50	0	endogenous,in-man	DFAAML
CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000008215849	425662566	/nfs/dbraw/zinc/66/25/66/425662566.db2.gz	GVVPGTZRZFNKDS-JXMROGBWSA-N	-2	1	314.211	2.905	50	0	endogenous,in-man	DFAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1	ZINC000033047673	425841107	/nfs/dbraw/zinc/84/11/07/425841107.db2.gz	IRYNBRADQUWNIX-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000007053727	331501038	/nfs/dbraw/zinc/50/10/38/331501038.db2.gz	APBOVLPLJFJSRI-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1ccc(C(=O)NC(=C(Cl)Cl)P(=O)([O-])[O-])cc1	ZINC000003012359	398347583	/nfs/dbraw/zinc/34/75/83/398347583.db2.gz	YRTBBRRVQGRODU-UHFFFAOYSA-N	-2	1	310.073	2.507	50	0		DFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000000051688	425531736	/nfs/dbraw/zinc/53/17/36/425531736.db2.gz	OCJYPTXTMYFBMU-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1F	ZINC000003223898	425611173	/nfs/dbraw/zinc/61/11/73/425611173.db2.gz	KOFDVPSOMZTUDA-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C	ZINC000002635971	425599129	/nfs/dbraw/zinc/59/91/29/425599129.db2.gz	DPSLCIIMPFSBBT-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
O=C([O-])c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1[O-])C2=O	ZINC000000267968	425549235	/nfs/dbraw/zinc/54/92/35/425549235.db2.gz	NGRNQTMCUBNKPJ-UHFFFAOYSA-N	-2	1	317.684	2.544	50	0		DFAAML
Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000007405619	425643928	/nfs/dbraw/zinc/64/39/28/425643928.db2.gz	HGGRMCZKPQNVSA-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000008104531	425660580	/nfs/dbraw/zinc/66/05/80/425660580.db2.gz	DUIMAIJKXYRBJH-UHFFFAOYSA-N	-2	1	319.382	2.813	50	0		DFAAML
CCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000012526413	425728874	/nfs/dbraw/zinc/72/88/74/425728874.db2.gz	GGDVRJFHHKWSRO-UHFFFAOYSA-N	-2	1	305.355	2.748	50	0		DFAAML
Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000012630378	425733313	/nfs/dbraw/zinc/73/33/13/425733313.db2.gz	QFTHZHCXUMZISK-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000035650858	425844520	/nfs/dbraw/zinc/84/45/20/425844520.db2.gz	YKUSTRWPRKRVGX-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000037226261	425847499	/nfs/dbraw/zinc/84/74/99/425847499.db2.gz	HNBNYEWADOZUKN-UHFFFAOYSA-N	-2	1	305.355	2.748	50	0		DFAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000000482281	425563965	/nfs/dbraw/zinc/56/39/65/425563965.db2.gz	IQONCETYSFTEPO-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
CC(C)(C)OC(=O)N[C@@H](Cc1ccc([O-])c(Cl)c1)C(=O)[O-]	ZINC000002583001	425596590	/nfs/dbraw/zinc/59/65/90/425596590.db2.gz	ZEMKCIHCRJIZOO-JTQLQIEISA-N	-2	1	315.753	2.566	50	0		DFAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000007402270	425642701	/nfs/dbraw/zinc/64/27/01/425642701.db2.gz	QKGAAUQEMBFGBJ-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000003201624	425612430	/nfs/dbraw/zinc/61/24/30/425612430.db2.gz	MHOKECSBIJUSOY-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
CCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000007057471	425635587	/nfs/dbraw/zinc/63/55/87/425635587.db2.gz	VGHWRYIXJYHKTJ-UHFFFAOYSA-N	-2	1	305.355	2.748	50	0		DFAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013464555	425754782	/nfs/dbraw/zinc/75/47/82/425754782.db2.gz	SACNXCHSNCAIKG-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1O	ZINC000008778446	398374325	/nfs/dbraw/zinc/37/43/25/398374325.db2.gz	DGVGMCSFINPWJC-OQFOIZHKSA-N	-2	1	312.328	2.638	50	0		DFAAML
Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cccc1C(=O)[O-]	ZINC000059880775	184142056	/nfs/dbraw/zinc/14/20/56/184142056.db2.gz	MXWGARHYOYIRIJ-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc(NS(=O)(=O)c2cc(C)ccc2[O-])c(C(=O)[O-])c1	ZINC000058368529	425897921	/nfs/dbraw/zinc/89/79/21/425897921.db2.gz	NMWRRUVZJSFLKA-UHFFFAOYSA-N	-2	1	321.354	2.508	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1F	ZINC000003201696	425611715	/nfs/dbraw/zinc/61/17/15/425611715.db2.gz	COEONWWYPSJOHD-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
O=P([O-])([O-])C1(Nc2ccc3c(c2)OCCO3)CCCCC1	ZINC000012528274	425729784	/nfs/dbraw/zinc/72/97/84/425729784.db2.gz	YQPYMIAYPJLWDW-UHFFFAOYSA-N	-2	1	313.290	2.708	50	0		DFAAML
CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000048382837	425875222	/nfs/dbraw/zinc/87/52/22/425875222.db2.gz	QOWBYZQPWODXAS-UHFFFAOYSA-N	-2	1	321.354	2.584	50	0		DFAAML
O=C([O-])c1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1	ZINC000002891497	180968520	/nfs/dbraw/zinc/96/85/20/180968520.db2.gz	ZLPUJLASOZHLTB-KPKJPENVSA-N	-2	1	315.306	2.969	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1C(=O)[O-]	ZINC000076082338	191573708	/nfs/dbraw/zinc/57/37/08/191573708.db2.gz	BIBFSINDUPVKRT-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])c(Cl)c1)C(=O)[O-]	ZINC000015442624	182002443	/nfs/dbraw/zinc/00/24/43/182002443.db2.gz	ZEMKCIHCRJIZOO-SNVBAGLBSA-N	-2	1	315.753	2.566	50	0		DFAAML
CC(C)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1	ZINC000020475585	182221805	/nfs/dbraw/zinc/22/18/05/182221805.db2.gz	HOQHCCTZTFMXIY-UHFFFAOYSA-N	-2	1	308.359	2.637	50	0		DFAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000037641984	425849019	/nfs/dbraw/zinc/84/90/19/425849019.db2.gz	PDBZUOKGPCNEKC-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
O=C([O-])Cc1cc(Br)cc(Br)c1[O-]	ZINC000024863701	398435237	/nfs/dbraw/zinc/43/52/37/398435237.db2.gz	PMAHTUAKLYOXGN-UHFFFAOYSA-N	-2	1	309.941	2.544	50	0		DFAAML
CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000062869662	184257492	/nfs/dbraw/zinc/25/74/92/184257492.db2.gz	GHICBXDDIJVMJB-OAHLLOKOSA-N	-2	1	311.765	2.763	50	0		DFAAML
CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000007053497	257218866	/nfs/dbraw/zinc/21/88/66/257218866.db2.gz	LYCQWSAPBYGDFU-UHFFFAOYSA-N	-2	1	323.395	2.908	50	0		DFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000048567799	425875771	/nfs/dbraw/zinc/87/57/71/425875771.db2.gz	LRRCSYMCPDPTQR-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
CC(C)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000096817091	185388705	/nfs/dbraw/zinc/38/87/05/185388705.db2.gz	FEHPUJKZTDHMJP-UHFFFAOYSA-N	-2	1	308.359	2.637	50	0		DFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1	ZINC000006578439	181356531	/nfs/dbraw/zinc/35/65/31/181356531.db2.gz	BRNWNNJGARYUNW-UHFFFAOYSA-N	-2	1	317.366	2.674	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])c1	ZINC000020555886	182231292	/nfs/dbraw/zinc/23/12/92/182231292.db2.gz	XUIOKYUWULTRJU-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
O=C([O-])CCCCCNC(=O)c1cc2ccccc2cc1[O-]	ZINC000002685645	425600634	/nfs/dbraw/zinc/60/06/34/425600634.db2.gz	DMMJFYRBRXGEEC-UHFFFAOYSA-N	-2	1	301.342	2.920	50	0		DFAAML
Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC000013345388	425753156	/nfs/dbraw/zinc/75/31/56/425753156.db2.gz	SQNYOMOBQAFSAW-JXMROGBWSA-N	-2	1	317.366	2.894	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1	ZINC000013464553	425755045	/nfs/dbraw/zinc/75/50/45/425755045.db2.gz	GSFLEMWTVPUSQM-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000036644041	425846131	/nfs/dbraw/zinc/84/61/31/425846131.db2.gz	MIAJHVDAKDDGHR-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
O=C([O-])c1csc([N-]S(=O)(=O)/C=C\c2ccccc2)c1	ZINC000098063058	426477530	/nfs/dbraw/zinc/47/75/30/426477530.db2.gz	WVQYOCNJZAMHBH-SREVYHEPSA-N	-2	1	309.368	2.859	50	0		DFAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3)c1)CCC2	ZINC000055546529	425894028	/nfs/dbraw/zinc/89/40/28/425894028.db2.gz	QRDUVTUDKLXPIW-UHFFFAOYSA-N	-2	1	317.366	2.674	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000000613664	425571459	/nfs/dbraw/zinc/57/14/59/425571459.db2.gz	BWMGRPWAMUZSGE-UHFFFAOYSA-N	-2	1	319.382	2.813	50	0		DFAAML
Cc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)[O-]	ZINC000026423609	425811874	/nfs/dbraw/zinc/81/18/74/425811874.db2.gz	NUEGZGFFDQSUAJ-JTQLQIEISA-N	-2	1	304.371	2.559	50	0		DFAAML
Cc1cc(S(=O)(=O)[N-]c2ccccc2F)sc1C(=O)[O-]	ZINC000037225799	425847541	/nfs/dbraw/zinc/84/75/41/425847541.db2.gz	XHYPKVBTWFVPRV-UHFFFAOYSA-N	-2	1	315.347	2.695	50	0		DFAAML
Cc1sc2[n-]c(=S)n([N-]C(=O)c3ccco3)c(=O)c2c1C	ZINC000017055780	182073321	/nfs/dbraw/zinc/07/33/21/182073321.db2.gz	FUCBLXPWIMEKOC-UHFFFAOYSA-N	-2	1	321.383	2.714	50	0		DFAAML
CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1	ZINC000047202374	183583460	/nfs/dbraw/zinc/58/34/60/183583460.db2.gz	QTADCFSQPLZXMY-UHFFFAOYSA-N	-2	1	323.345	2.887	50	0		DFAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000008104432	425660460	/nfs/dbraw/zinc/66/04/60/425660460.db2.gz	SCLKMKWIZCQMNR-UHFFFAOYSA-N	-2	1	305.355	2.505	50	0		DFAAML
O=P([O-])([O-])[C@@H](NCc1ccccc1F)c1ccc(F)cc1	ZINC000012997461	425745130	/nfs/dbraw/zinc/74/51/30/425745130.db2.gz	JDKHDWHECVNQOJ-CQSZACIVSA-N	-2	1	313.240	2.931	50	0		DFAAML
CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1	ZINC000005234949	181219492	/nfs/dbraw/zinc/21/94/92/181219492.db2.gz	XZPQSBDERLXLLI-UHFFFAOYSA-N	-2	1	305.355	2.748	50	0		DFAAML
O=C([O-])[C@@H](Sc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1	ZINC000012176682	425720259	/nfs/dbraw/zinc/72/02/59/425720259.db2.gz	CKWHPTRABNAVAE-ZDUSSCGKSA-N	-2	1	316.382	2.979	50	0		DFAAML
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000013340518	425753061	/nfs/dbraw/zinc/75/30/61/425753061.db2.gz	QTUISZDXQYLLGF-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C	ZINC000076081926	426099554	/nfs/dbraw/zinc/09/95/54/426099554.db2.gz	RVVPMNYSGBAOLM-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
COc1ccc(-c2c([O-])c3ccc([O-])cc3oc2=O)cc1OC	ZINC000011764653	425712200	/nfs/dbraw/zinc/71/22/00/425712200.db2.gz	QKJMWQMXQVPZBX-UHFFFAOYSA-N	-2	1	314.293	2.888	50	0		DFAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000003884805	181052095	/nfs/dbraw/zinc/05/20/95/181052095.db2.gz	RAWKLUXIRPAWQY-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1	ZINC000003888396	181052827	/nfs/dbraw/zinc/05/28/27/181052827.db2.gz	GFOVIYGXYVCJAZ-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C	ZINC000005516184	181252457	/nfs/dbraw/zinc/25/24/57/181252457.db2.gz	RVLAODMJYPBQQJ-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C	ZINC000007053029	257218575	/nfs/dbraw/zinc/21/85/75/257218575.db2.gz	ZOJPZWZKQXMFMQ-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000000616223	425571061	/nfs/dbraw/zinc/57/10/61/425571061.db2.gz	MQSIMYDXHDUFTJ-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000000990997	425574611	/nfs/dbraw/zinc/57/46/11/425574611.db2.gz	MKKMFXLAESXJNF-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000000258723	425549118	/nfs/dbraw/zinc/54/91/18/425549118.db2.gz	QLZXSYFEOSMCSB-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(C)c1	ZINC000047202343	425868483	/nfs/dbraw/zinc/86/84/83/425868483.db2.gz	GTORNVRPXDTATM-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1	ZINC000047202329	425868561	/nfs/dbraw/zinc/86/85/61/425868561.db2.gz	VUDRRYZFRCKQLK-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000050921418	304062439	/nfs/dbraw/zinc/06/24/39/304062439.db2.gz	NMJCVZGMRQYIQR-LLVKDONJSA-N	-2	1	311.765	2.905	50	0		DFAAML
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1	ZINC000014253038	425770856	/nfs/dbraw/zinc/77/08/56/425770856.db2.gz	BTTFGBIMTVLVLH-UHFFFAOYSA-N	-2	1	319.310	2.525	50	0		DFAAML
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000013263428	425752425	/nfs/dbraw/zinc/75/24/25/425752425.db2.gz	VHCWWQHZZNFJRT-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1C(=O)[O-]	ZINC000044750160	425857847	/nfs/dbraw/zinc/85/78/47/425857847.db2.gz	XGMVZAZELQJYKE-UHFFFAOYSA-N	-2	1	309.318	2.633	50	0		DFAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1C	ZINC000076082294	426099512	/nfs/dbraw/zinc/09/95/12/426099512.db2.gz	KCGZALILIUFDNC-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000062869661	184257375	/nfs/dbraw/zinc/25/73/75/184257375.db2.gz	GHICBXDDIJVMJB-HNNXBMFYSA-N	-2	1	311.765	2.763	50	0		DFAAML
Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000000078901	425535100	/nfs/dbraw/zinc/53/51/00/425535100.db2.gz	ZVURHSFEXBOWDA-UHFFFAOYSA-N	-2	1	305.355	2.802	50	0		DFAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000001618806	425583550	/nfs/dbraw/zinc/58/35/50/425583550.db2.gz	OWHRRXDJMFQNDI-UHFFFAOYSA-N	-2	1	311.746	2.839	50	0		DFAAML
Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000007708413	425651521	/nfs/dbraw/zinc/65/15/21/425651521.db2.gz	SXBJSZOIOVNJEV-UHFFFAOYSA-N	-2	1	323.345	2.942	50	0		DFAAML
CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000012556996	425730953	/nfs/dbraw/zinc/73/09/53/425730953.db2.gz	YYGGQDMNHMQAPN-UHFFFAOYSA-N	-2	1	323.395	2.908	50	0		DFAAML
CC(C)C[C@H](CC(=O)[O-])NC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000220561339	426577377	/nfs/dbraw/zinc/57/73/77/426577377.db2.gz	JBGAUDVBRGBQGN-LLVKDONJSA-N	-2	1	313.781	2.594	50	0		DFAAML