smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000004553220	435979836	/nfs/dbraw/zinc/97/98/36/435979836.db2.gz	LBDHZJLWZZJDMF-RYUDHWBXSA-N	-2	3	347.327	0.084	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000005053123	435983425	/nfs/dbraw/zinc/98/34/25/435983425.db2.gz	CYMMFLBGHQKHSG-ZYHUDNBSSA-N	-2	3	330.300	0.687	50	0		ECAAHL
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3nn[n-]n3)cc21	ZINC000071447135	436006608	/nfs/dbraw/zinc/00/66/08/436006608.db2.gz	ZANOTPAFVQFZTD-ZETCQYMHSA-N	-2	3	338.349	0.134	50	0		ECAAHL
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3nnn[n-]3)cc21	ZINC000071447135	436006611	/nfs/dbraw/zinc/00/66/11/436006611.db2.gz	ZANOTPAFVQFZTD-ZETCQYMHSA-N	-2	3	338.349	0.134	50	0		ECAAHL
CC(C)c1nc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc(=O)[n-]1	ZINC000095355131	436491204	/nfs/dbraw/zinc/49/12/04/436491204.db2.gz	NXJWAPXGLCMJOC-NSHDSACASA-N	-2	3	348.403	0.795	50	0		ECAAHL
C[C@H](O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)[C@H](C)O	ZINC000239433298	436757439	/nfs/dbraw/zinc/75/74/39/436757439.db2.gz	XMMDZZIYJNQNKL-XAMCCFCMSA-N	-2	3	332.294	0.028	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101147476	290928040	/nfs/dbraw/zinc/92/80/40/290928040.db2.gz	QHFSAHZPOSPVDN-PWSUYJOCSA-N	-2	3	333.275	0.075	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000018154941	201993717	/nfs/dbraw/zinc/99/37/17/201993717.db2.gz	SYEJTMHTPVGTES-NEPJUHHUSA-N	-2	3	329.312	0.270	50	0		ECAAHL
Cc1ccc(S(=O)(=O)[N-][C@@H]2COCC[C@@H]2OCC(=O)[O-])c(F)c1	ZINC000218862955	241348239	/nfs/dbraw/zinc/34/82/39/241348239.db2.gz	FILZVBYMUIEQCG-NEPJUHHUSA-N	-2	3	347.364	0.671	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000004546655	285672795	/nfs/dbraw/zinc/67/27/95/285672795.db2.gz	HYDRAMVNGPCMRN-AAEUAGOBSA-N	-2	3	347.302	0.465	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000018044888	436102254	/nfs/dbraw/zinc/10/22/54/436102254.db2.gz	MVXHILLINFJSGQ-BDAKNGLRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000100166190	436547704	/nfs/dbraw/zinc/54/77/04/436547704.db2.gz	MVXHILLINFJSGQ-IUCAKERBSA-N	-2	3	342.138	0.984	50	0		ECAAHL
C[C@H](CN(C)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000268946443	437439925	/nfs/dbraw/zinc/43/99/25/437439925.db2.gz	WTIUFUICDHBORX-JDNHERCYSA-N	-2	3	333.344	0.534	50	0		ECAAHL
O=C([O-])C1(Oc2ccccc2)CCN(C(=O)c2cnc[n-]c2=O)CC1	ZINC000072436414	203224733	/nfs/dbraw/zinc/22/47/33/203224733.db2.gz	PYMXRDFBBCYXCW-UHFFFAOYSA-N	-2	3	343.339	0.908	50	0		ECAAHL
Cn1cc(C(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)c(=O)[n-]c1=O	ZINC000091550767	203638245	/nfs/dbraw/zinc/63/82/45/203638245.db2.gz	CQDFEYHJWQWNHW-MRXNPFEDSA-N	-2	3	335.360	0.181	50	0		ECAAHL
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000015108139	436080038	/nfs/dbraw/zinc/08/00/38/436080038.db2.gz	HZZCYXFKRWWYFV-VIFPVBQESA-N	-2	3	336.325	0.062	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000100069684	436545337	/nfs/dbraw/zinc/54/53/37/436545337.db2.gz	GPDLDWBCMRDKTI-VXGBXAGGSA-N	-2	3	347.327	0.084	50	0		ECAAHL
O=C([O-])c1cnc(N2CCN(C(=O)c3cccc([O-])c3)CC2)cn1	ZINC000263397752	436965901	/nfs/dbraw/zinc/96/59/01/436965901.db2.gz	ICTRHNMSXBJQTH-UHFFFAOYSA-N	-2	3	328.328	0.843	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101147480	290928045	/nfs/dbraw/zinc/92/80/45/290928045.db2.gz	QHFSAHZPOSPVDN-CMPLNLGQSA-N	-2	3	333.275	0.075	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2	ZINC000095481305	436496291	/nfs/dbraw/zinc/49/62/91/436496291.db2.gz	POCDZPDYEBDKPT-ZJUUUORDSA-N	-2	3	337.719	0.339	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3OCC)c(=O)c1-2	ZINC000100048867	436545651	/nfs/dbraw/zinc/54/56/51/436545651.db2.gz	FCPAPCUIFATZJS-NEPJUHHUSA-N	-2	3	331.328	0.466	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000100544187	436547464	/nfs/dbraw/zinc/54/74/64/436547464.db2.gz	DJVUIKZWBWXTTA-NWDGAFQWSA-N	-2	3	329.356	0.992	50	0		ECAAHL
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C2	ZINC000071753900	203107471	/nfs/dbraw/zinc/10/74/71/203107471.db2.gz	BPOJFOFNJRHARK-UHFFFAOYSA-N	-2	3	334.763	0.839	50	0		ECAAHL
O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)c1	ZINC000095392388	436493856	/nfs/dbraw/zinc/49/38/56/436493856.db2.gz	YQQWIIZDLZRUPW-LBPRGKRZSA-N	-2	3	343.339	0.781	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000100628314	436547667	/nfs/dbraw/zinc/54/76/67/436547667.db2.gz	DVQBEULFVAMJSG-DGCLKSJQSA-N	-2	3	329.312	0.244	50	0		ECAAHL
COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc(C)[n-]c2=O)C1	ZINC000091931024	436464130	/nfs/dbraw/zinc/46/41/30/436464130.db2.gz	ISTJBAYQVQNKOI-MRXNPFEDSA-N	-2	3	337.376	0.351	50	0		ECAAHL
O=C([O-])C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000262443960	436934466	/nfs/dbraw/zinc/93/44/66/436934466.db2.gz	OJBJKHQDXFDSRY-UHFFFAOYSA-N	-2	3	332.403	0.350	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000005054133	290927914	/nfs/dbraw/zinc/92/79/14/290927914.db2.gz	GDDSWQVORQYJIH-GXFFZTMASA-N	-2	3	344.327	0.996	50	0		ECAAHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000262523479	245016273	/nfs/dbraw/zinc/01/62/73/245016273.db2.gz	FQJZFQRANLPJJM-VHSXEESVSA-N	-2	3	346.430	0.881	50	0		ECAAHL
C[C@]1(c2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262969665	245274519	/nfs/dbraw/zinc/27/45/19/245274519.db2.gz	PMOXIIIEPQJBIZ-QLJPJBMISA-N	-2	3	331.328	0.288	50	0		ECAAHL
CN1[C@@H](c2cccc(F)c2F)[C@@H](C(=O)NCC(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000067851049	290316660	/nfs/dbraw/zinc/31/66/60/290316660.db2.gz	OAJFKKJTHOWTFY-FWDPORAESA-N	-2	3	342.298	0.612	50	0		ECAAHL
NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1[O-]	ZINC000005681495	435992449	/nfs/dbraw/zinc/99/24/49/435992449.db2.gz	DTVVENDGJLWRCW-UHFFFAOYSA-N	-3	3	336.325	0.990	50	0		ECAAHL
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000095386626	436494570	/nfs/dbraw/zinc/49/45/70/436494570.db2.gz	SKLQXFROMFURJQ-GFCCVEGCSA-N	-2	3	343.339	0.781	50	0		ECAAHL
C[C@H](CN(C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000268946432	437440649	/nfs/dbraw/zinc/44/06/49/437440649.db2.gz	WTIUFUICDHBORX-ABKXIKBNSA-N	-2	3	333.344	0.534	50	0		ECAAHL
CCC(c1c(N)[nH]c(=S)[n-]c1=O)c1c(N)[nH]c(=S)[n-]c1=O	ZINC000004334915	210173579	/nfs/dbraw/zinc/17/35/79/210173579.db2.gz	CFFVEUMPWFXVAV-UHFFFAOYSA-N	-2	3	326.407	0.885	50	0		ECAAHL
CN1C[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@H]1C(=O)[O-]	ZINC000217380003	241245476	/nfs/dbraw/zinc/24/54/76/241245476.db2.gz	IMHQVACSVPPWGF-GWCFXTLKSA-N	-2	3	330.344	0.053	50	0		ECAAHL
Cc1ncc(C(=O)N2CCc3c(=O)[n-]c(CC4CC4)nc3C2)c(=O)[n-]1	ZINC000096140909	436515682	/nfs/dbraw/zinc/51/56/82/436515682.db2.gz	QLFUJKWVUHKBBX-UHFFFAOYSA-N	-2	3	341.371	0.313	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000101002336	436547494	/nfs/dbraw/zinc/54/74/94/436547494.db2.gz	GDDSWQVORQYJIH-GWCFXTLKSA-N	-2	3	344.327	0.996	50	0		ECAAHL
O=C([O-])Cn1ccc([C@@H]2CCCN(Cc3cc(=O)[n-]c(=O)[nH]3)C2)n1	ZINC000426712572	438070839	/nfs/dbraw/zinc/07/08/39/438070839.db2.gz	DUNOAYHBMHZYHO-SNVBAGLBSA-N	-2	3	333.348	0.549	50	0		ECAAHL
O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]2[C@H]1C(=O)[N-]S2(=O)=O	ZINC000888094492	586349102	/nfs/dbraw/zinc/34/91/02/586349102.db2.gz	VLMFWSWSSNKXFJ-MNOVXSKESA-N	-2	3	344.776	0.478	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000100639098	290927904	/nfs/dbraw/zinc/92/79/04/290927904.db2.gz	XXWKDXVXNYIUQS-JSGCOSHPSA-N	-2	3	343.339	0.553	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000004859996	210305111	/nfs/dbraw/zinc/30/51/11/210305111.db2.gz	NHDWNKCESAHHKM-IUCAKERBSA-N	-2	3	341.245	0.696	50	0		ECAAHL
O=C([O-])c1[nH]c(=O)[n-]c(=O)c1CN1CCN(c2ccccc2F)CC1	ZINC000004629409	435980173	/nfs/dbraw/zinc/98/01/73/435980173.db2.gz	CHWRFYHJXCKZMU-UHFFFAOYSA-N	-2	3	348.334	0.223	50	0		ECAAHL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000055119579	214276078	/nfs/dbraw/zinc/27/60/78/214276078.db2.gz	HXNJGGUNZVVXME-DTORHVGOSA-N	-2	3	346.409	0.350	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2	ZINC000100047747	219088918	/nfs/dbraw/zinc/08/89/18/219088918.db2.gz	BASGYTBVPWFUDV-NEPJUHHUSA-N	-2	3	331.328	0.466	50	0		ECAAHL
CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc([O-])c(CC)c(=O)[n-]1	ZINC000004474833	210197284	/nfs/dbraw/zinc/19/72/84/210197284.db2.gz	NHASCKRQHGGQLC-UHFFFAOYSA-N	-2	3	340.361	0.152	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000100999234	219113798	/nfs/dbraw/zinc/11/37/98/219113798.db2.gz	CYMMFLBGHQKHSG-CMPLNLGQSA-N	-2	3	330.300	0.687	50	0		ECAAHL
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCc2cc(=O)[n-]c(C)n2)n1	ZINC000218837437	241349028	/nfs/dbraw/zinc/34/90/28/241349028.db2.gz	UHVRQSUHONQIFT-MRVPVSSYSA-N	-2	3	335.389	0.679	50	0		ECAAHL
CC(C)c1c([O-])nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c1=O	ZINC000005129529	210396454	/nfs/dbraw/zinc/39/64/54/210396454.db2.gz	MKHCTUDRCNNONX-VIFPVBQESA-N	-2	3	327.406	0.986	50	0		ECAAHL
C[C@@]1(c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000299742194	258008920	/nfs/dbraw/zinc/00/89/20/258008920.db2.gz	IPAAPURRXZEWBZ-DIFFPNOSSA-N	-2	3	345.355	0.678	50	0		ECAAHL
Cc1ccccc1-n1c(Cc2nnn[n-]2)nnc1SCC(=O)[O-]	ZINC000071279032	436008234	/nfs/dbraw/zinc/00/82/34/436008234.db2.gz	JVWYKWZCRRZWQK-UHFFFAOYSA-N	-2	3	331.361	0.856	50	0		ECAAHL
Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2OCC(=O)[O-])c(F)c1	ZINC000219252782	301692479	/nfs/dbraw/zinc/69/24/79/301692479.db2.gz	HUGGWIYXVSYMER-VXGBXAGGSA-N	-2	3	347.364	0.671	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000299742195	258009089	/nfs/dbraw/zinc/00/90/89/258009089.db2.gz	IPAAPURRXZEWBZ-PIGZYNQJSA-N	-2	3	345.355	0.678	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2	ZINC000018159068	436103128	/nfs/dbraw/zinc/10/31/28/436103128.db2.gz	BASGYTBVPWFUDV-VXGBXAGGSA-N	-2	3	331.328	0.466	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000101023885	219114615	/nfs/dbraw/zinc/11/46/15/219114615.db2.gz	OGXAZNPWVRSJHI-JQWIXIFHSA-N	-2	3	330.300	0.633	50	0		ECAAHL
N[C@@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001576167	435958036	/nfs/dbraw/zinc/95/80/36/435958036.db2.gz	LLEUXCDZPQOJMY-WCQYABFASA-N	-2	3	333.344	0.472	50	0	endogenous,in-man	ECAAHL
CC[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@H](CC)CO	ZINC000003151959	435970228	/nfs/dbraw/zinc/97/02/28/435970228.db2.gz	PASPZOXUCPYOIU-HTQZYQBOSA-N	-2	3	332.294	0.031	50	0		ECAAHL
CC[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](CC)CO	ZINC000016309697	436090455	/nfs/dbraw/zinc/09/04/55/436090455.db2.gz	PASPZOXUCPYOIU-OCAPTIKFSA-N	-2	3	332.294	0.031	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101147473	436549068	/nfs/dbraw/zinc/54/90/68/436549068.db2.gz	QHFSAHZPOSPVDN-ZYHUDNBSSA-N	-2	3	333.275	0.075	50	0		ECAAHL
CCOc1cc(C=NNc2[n-]c(=O)nnc2C)cc([N+](=O)[O-])c1[O-]	ZINC000252477526	436831715	/nfs/dbraw/zinc/83/17/15/436831715.db2.gz	PYWMYYFMCLCFBO-UHFFFAOYSA-N	-2	3	334.292	0.932	50	0		ECAAHL
O=C(Nc1nnn[n-]1)c1cc(I)ccc1[O-]	ZINC000191892583	239367744	/nfs/dbraw/zinc/36/77/44/239367744.db2.gz	NNCPTPRFFPANQK-UHFFFAOYSA-N	-2	3	331.073	0.762	50	0		ECAAHL
O=C(Nc1nn[n-]n1)c1cc(I)ccc1[O-]	ZINC000191892583	239367749	/nfs/dbraw/zinc/36/77/49/239367749.db2.gz	NNCPTPRFFPANQK-UHFFFAOYSA-N	-2	3	331.073	0.762	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000005053588	210375231	/nfs/dbraw/zinc/37/52/31/210375231.db2.gz	OGQGXYBQBFAMFE-CMPLNLGQSA-N	-2	3	330.300	0.769	50	0		ECAAHL
COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)n[n-]c2=S)cc1	ZINC000005895301	435994453	/nfs/dbraw/zinc/99/44/53/435994453.db2.gz	NGQMBOPQSXPGPR-UHFFFAOYSA-N	-2	3	331.357	0.906	50	0		ECAAHL
COC(=O)[C@]([O-])([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000003103463	435972228	/nfs/dbraw/zinc/97/22/28/435972228.db2.gz	FVLUWZCEVXSQLS-SNVBAGLBSA-N	-2	3	327.280	0.697	50	0		ECAAHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)[n-]c1=O	ZINC000000110238	435948667	/nfs/dbraw/zinc/94/86/67/435948667.db2.gz	YKFVQQXVYMFNMX-UHFFFAOYSA-N	-2	3	348.384	0.184	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101099493	285672811	/nfs/dbraw/zinc/67/28/11/285672811.db2.gz	BOPVMDNZPVQHKD-JSGCOSHPSA-N	-2	3	343.339	0.634	50	0		ECAAHL
Cc1ccc(SCC[N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000096870207	436534463	/nfs/dbraw/zinc/53/44/63/436534463.db2.gz	LWISAJRHUPPVFO-UHFFFAOYSA-N	-2	3	341.414	0.442	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101155191	436548309	/nfs/dbraw/zinc/54/83/09/436548309.db2.gz	YKKGCUFNAQHCRP-YPMHNXCESA-N	-2	3	329.312	0.244	50	0		ECAAHL
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccc2n[n-]nc2c1	ZINC000262280052	436920695	/nfs/dbraw/zinc/92/06/95/436920695.db2.gz	ZKIHEECJGHHPQX-NSHDSACASA-N	-2	3	345.359	0.353	50	0		ECAAHL
C[C@@]1(c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2)NC(=O)[N-]C1=O	ZINC000268885445	437435440	/nfs/dbraw/zinc/43/54/40/437435440.db2.gz	BSEWSGZNKXTCKE-INIZCTEOSA-N	-2	3	331.328	0.430	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000100061761	219090162	/nfs/dbraw/zinc/09/01/62/219090162.db2.gz	DUZJIJPRRGAHNG-IUCAKERBSA-N	-2	3	342.138	0.984	50	0		ECAAHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262632847	245080952	/nfs/dbraw/zinc/08/09/52/245080952.db2.gz	FQJZFQRANLPJJM-ZJUUUORDSA-N	-2	3	346.430	0.881	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000299743163	258009203	/nfs/dbraw/zinc/00/92/03/258009203.db2.gz	MFIDQOGRUHQTPJ-QLJPJBMISA-N	-2	3	331.328	0.288	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c1-2	ZINC000017823996	436101752	/nfs/dbraw/zinc/10/17/52/436101752.db2.gz	USFOYDKNHSYAMY-BDAKNGLRSA-N	-2	3	341.245	0.696	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000017970019	436103320	/nfs/dbraw/zinc/10/33/20/436103320.db2.gz	BOPVMDNZPVQHKD-GXTWGEPZSA-N	-2	3	343.339	0.634	50	0		ECAAHL
Cc1csc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2OCC(=O)[O-])c1	ZINC000220634050	436698869	/nfs/dbraw/zinc/69/88/69/436698869.db2.gz	HCPRFDAKLQJKRM-NXEZZACHSA-N	-2	3	335.403	0.594	50	0		ECAAHL
CS(=O)(=O)CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000063142234	214746219	/nfs/dbraw/zinc/74/62/19/214746219.db2.gz	MWEDTJGQYPYJJG-UHFFFAOYSA-N	-2	3	341.794	0.825	50	0		ECAAHL
COC[C@H](O)CNC(=O)Cc1c(C)c2c([O-])cc([O-])cc2oc1=O	ZINC000008879239	211013326	/nfs/dbraw/zinc/01/33/26/211013326.db2.gz	FWSVPUBBBRVYFU-SNVBAGLBSA-N	-2	3	337.328	0.179	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000004811560	210283594	/nfs/dbraw/zinc/28/35/94/210283594.db2.gz	SQGBKDUHCPZOOZ-SFYZADRCSA-N	-2	3	342.138	0.984	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000299743161	258008784	/nfs/dbraw/zinc/00/87/84/258008784.db2.gz	MFIDQOGRUHQTPJ-MGPLVRAMSA-N	-2	3	331.328	0.288	50	0		ECAAHL
CC[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](CC)CO	ZINC000003151956	435970643	/nfs/dbraw/zinc/97/06/43/435970643.db2.gz	PASPZOXUCPYOIU-YUMQZZPRSA-N	-2	3	332.294	0.031	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000018173495	436103558	/nfs/dbraw/zinc/10/35/58/436103558.db2.gz	XTFXJXBIWWANJJ-PWSUYJOCSA-N	-2	3	349.730	0.589	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000101023887	219114221	/nfs/dbraw/zinc/11/42/21/219114221.db2.gz	OGXAZNPWVRSJHI-PWSUYJOCSA-N	-2	3	330.300	0.633	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000100639099	290928083	/nfs/dbraw/zinc/92/80/83/290928083.db2.gz	XXWKDXVXNYIUQS-OCCSQVGLSA-N	-2	3	343.339	0.553	50	0		ECAAHL
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCc2cc(=O)[n-]c(C)n2)n1	ZINC000218837355	241347093	/nfs/dbraw/zinc/34/70/93/241347093.db2.gz	UHVRQSUHONQIFT-QMMMGPOBSA-N	-2	3	335.389	0.679	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c1-2	ZINC000100166227	219093152	/nfs/dbraw/zinc/09/31/52/219093152.db2.gz	USFOYDKNHSYAMY-IUCAKERBSA-N	-2	3	341.245	0.696	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100628292	219102927	/nfs/dbraw/zinc/10/29/27/219102927.db2.gz	OKYDGXKQNAAIFR-ZJUUUORDSA-N	-2	3	339.710	0.859	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000100617576	219102937	/nfs/dbraw/zinc/10/29/37/219102937.db2.gz	SQGBKDUHCPZOOZ-HTQZYQBOSA-N	-2	3	342.138	0.984	50	0		ECAAHL
Cc1c([O-])nc(CCNC(=O)c2ccncc2C(F)(F)F)[n-]c1=O	ZINC000241897396	243005786	/nfs/dbraw/zinc/00/57/86/243005786.db2.gz	TYJFPIFHWDBJQR-UHFFFAOYSA-N	-2	3	342.277	0.911	50	0		ECAAHL
CS(=O)(=O)[N-]c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F	ZINC000262557475	245031956	/nfs/dbraw/zinc/03/19/56/245031956.db2.gz	YNYTVQYKKLIFGN-NSHDSACASA-N	-2	3	346.336	0.123	50	0		ECAAHL
O=C([O-])c1ccc(NC(=O)CCn2cnc3c2nc[n-]c3=O)cc1	ZINC000005117168	210392946	/nfs/dbraw/zinc/39/29/46/210392946.db2.gz	JMPOIZCOJJMTHI-UHFFFAOYSA-N	-2	3	327.300	0.847	50	0	in-man	ECAAHL
C[C@@]1(c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000262408460	436931225	/nfs/dbraw/zinc/93/12/25/436931225.db2.gz	IPAAPURRXZEWBZ-GTNSWQLSSA-N	-2	3	345.355	0.678	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000100166186	219093727	/nfs/dbraw/zinc/09/37/27/219093727.db2.gz	MVXHILLINFJSGQ-DTWKUNHWSA-N	-2	3	342.138	0.984	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c1-2	ZINC000100166225	219093791	/nfs/dbraw/zinc/09/37/91/219093791.db2.gz	USFOYDKNHSYAMY-DTWKUNHWSA-N	-2	3	341.245	0.696	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000100166141	219093802	/nfs/dbraw/zinc/09/38/02/219093802.db2.gz	LBDHZJLWZZJDMF-VXGBXAGGSA-N	-2	3	347.327	0.084	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000004546651	285672834	/nfs/dbraw/zinc/67/28/34/285672834.db2.gz	HYDRAMVNGPCMRN-YPMHNXCESA-N	-2	3	347.302	0.465	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000004311732	435976001	/nfs/dbraw/zinc/97/60/01/435976001.db2.gz	DUZJIJPRRGAHNG-BDAKNGLRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
Cc1cc(=O)[n-]c(NCCNC(=O)c2cnc(C(C)(C)C)[n-]c2=O)n1	ZINC000082108191	436361020	/nfs/dbraw/zinc/36/10/20/436361020.db2.gz	LCUMIJVAEDKCEH-UHFFFAOYSA-N	-2	3	346.391	0.301	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2	ZINC000095481306	436496345	/nfs/dbraw/zinc/49/63/45/436496345.db2.gz	POCDZPDYEBDKPT-UWVGGRQHSA-N	-2	3	337.719	0.339	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101099489	436549038	/nfs/dbraw/zinc/54/90/38/436549038.db2.gz	BOPVMDNZPVQHKD-TZMCWYRMSA-N	-2	3	343.339	0.634	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(C)o1	ZINC000263284314	436960768	/nfs/dbraw/zinc/96/07/68/436960768.db2.gz	XUDYWBVBHDMGSZ-SCZZXKLOSA-N	-2	3	344.389	0.821	50	0		ECAAHL
C[C@@H](CN(C)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000268946450	437439690	/nfs/dbraw/zinc/43/96/90/437439690.db2.gz	WTIUFUICDHBORX-XXFAHNHDSA-N	-2	3	333.344	0.534	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000101003914	219113960	/nfs/dbraw/zinc/11/39/60/219113960.db2.gz	QGHKKQIWCXNVED-PWSUYJOCSA-N	-2	3	330.300	0.769	50	0		ECAAHL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000055119582	436566906	/nfs/dbraw/zinc/56/69/06/436566906.db2.gz	HXNJGGUNZVVXME-RKDXNWHRSA-N	-2	3	346.409	0.350	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F	ZINC000269204318	437467569	/nfs/dbraw/zinc/46/75/69/437467569.db2.gz	SNWDTGXZKXLAJE-VIFPVBQESA-N	-2	3	330.337	0.281	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2	ZINC000100165644	219093761	/nfs/dbraw/zinc/09/37/61/219093761.db2.gz	POCDZPDYEBDKPT-NXEZZACHSA-N	-2	3	337.719	0.339	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101000331	219113855	/nfs/dbraw/zinc/11/38/55/219113855.db2.gz	OGQGXYBQBFAMFE-PWSUYJOCSA-N	-2	3	330.300	0.769	50	0		ECAAHL
CN1[C@@H](c2ccccc2F)[C@@H](C(=O)NCc2nn[n-]n2)C[C@H]1C(=O)[O-]	ZINC000067435210	215145711	/nfs/dbraw/zinc/14/57/11/215145711.db2.gz	KXYNKYZEPIWCLE-GAFUQQFSSA-N	-2	3	348.338	0.101	50	0		ECAAHL
C[C@@]1(c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)cc2)NC(=O)[N-]C1=O	ZINC000299748308	258008113	/nfs/dbraw/zinc/00/81/13/258008113.db2.gz	GVOGIRONEIHBQF-INIZCTEOSA-N	-2	3	345.355	0.868	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)cc3Cl)c(=O)c1-2	ZINC000018142226	436102663	/nfs/dbraw/zinc/10/26/63/436102663.db2.gz	QXMINXSNMCUMBY-BDAKNGLRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000004104527	517672873	/nfs/dbraw/zinc/67/28/73/517672873.db2.gz	DJVUIKZWBWXTTA-NEPJUHHUSA-N	-2	3	329.356	0.992	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100166205	219093573	/nfs/dbraw/zinc/09/35/73/219093573.db2.gz	ZJWWOUJLQVCDFK-BDAKNGLRSA-N	-2	3	325.683	0.469	50	0		ECAAHL
O=C([O-])CCNS(=O)(=O)c1cc2cccc3c2c(c1)C(=O)[N-]C3=O	ZINC000035686171	213046526	/nfs/dbraw/zinc/04/65/26/213046526.db2.gz	UCXCAPCHQDWVCY-UHFFFAOYSA-N	-2	3	348.336	0.476	50	0		ECAAHL
CCOC(=O)[C@@]([O-])([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002217456	435964863	/nfs/dbraw/zinc/96/48/63/435964863.db2.gz	KWWGBMVDRCMYSY-JTQLQIEISA-N	-2	3	327.280	0.779	50	0		ECAAHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cn[nH]c2)c1	ZINC000390833634	438433476	/nfs/dbraw/zinc/43/34/76/438433476.db2.gz	KPUDGFQCCIUMJM-UHFFFAOYSA-N	-2	3	330.391	0.890	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000100166149	219093608	/nfs/dbraw/zinc/09/36/08/219093608.db2.gz	KWBZLUOWYVMAQF-NEPJUHHUSA-N	-2	3	329.312	0.270	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000100617572	219102732	/nfs/dbraw/zinc/10/27/32/219102732.db2.gz	SQGBKDUHCPZOOZ-JGVFFNPUSA-N	-2	3	342.138	0.984	50	0		ECAAHL
Cc1cc(C[C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n[nH]1	ZINC000178758571	545878093	/nfs/dbraw/zinc/87/80/93/545878093.db2.gz	XMXMOLDXDSWZTR-QMMMGPOBSA-N	-2	3	342.359	0.725	50	0		ECAAHL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000055119584	214276537	/nfs/dbraw/zinc/27/65/37/214276537.db2.gz	HXNJGGUNZVVXME-IUCAKERBSA-N	-2	3	346.409	0.350	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100166200	219093716	/nfs/dbraw/zinc/09/37/16/219093716.db2.gz	ZJWWOUJLQVCDFK-IUCAKERBSA-N	-2	3	325.683	0.469	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)cc2)NC(=O)[N-]C1=O	ZINC000299748309	258008222	/nfs/dbraw/zinc/00/82/22/258008222.db2.gz	GVOGIRONEIHBQF-MRXNPFEDSA-N	-2	3	345.355	0.868	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101145405	285672816	/nfs/dbraw/zinc/67/28/16/285672816.db2.gz	HYDRAMVNGPCMRN-DGCLKSJQSA-N	-2	3	347.302	0.465	50	0		ECAAHL
O=C([O-])c1[nH]c(=O)[n-]c(=O)c1CN1CCN(c2ccc(F)cc2)CC1	ZINC000004629097	435980348	/nfs/dbraw/zinc/98/03/48/435980348.db2.gz	UVSLCVYTFMHQOS-UHFFFAOYSA-N	-2	3	348.334	0.223	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2	ZINC000018100241	436102237	/nfs/dbraw/zinc/10/22/37/436102237.db2.gz	POCDZPDYEBDKPT-VHSXEESVSA-N	-2	3	337.719	0.339	50	0		ECAAHL
C[C@@]1(c2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262969663	245273938	/nfs/dbraw/zinc/27/39/38/245273938.db2.gz	PMOXIIIEPQJBIZ-QFYYESIMSA-N	-2	3	331.328	0.288	50	0		ECAAHL
COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)c1	ZINC000012322775	211347769	/nfs/dbraw/zinc/34/77/69/211347769.db2.gz	ACUOOMXSURYVEK-UHFFFAOYSA-N	-2	3	341.345	0.190	50	0		ECAAHL
Cc1cc(=O)[n-]c(CCNC(=O)c2cnc(C(C)(C)C)[n-]c2=O)n1	ZINC000082138794	436364093	/nfs/dbraw/zinc/36/40/93/436364093.db2.gz	CWZXHOGIAIBQJU-UHFFFAOYSA-N	-2	3	331.376	0.432	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(C(C)=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000100170972	436547450	/nfs/dbraw/zinc/54/74/50/436547450.db2.gz	CFWLHQWKXNXVMV-TZMCWYRMSA-N	-2	3	343.339	0.498	50	0		ECAAHL
C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1	ZINC000269052015	437449575	/nfs/dbraw/zinc/44/95/75/437449575.db2.gz	VTDCMXKPAVHGQH-IAGOWNOFSA-N	-2	3	345.355	0.678	50	0		ECAAHL
C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1	ZINC000269052017	437449779	/nfs/dbraw/zinc/44/97/79/437449779.db2.gz	VTDCMXKPAVHGQH-SJORKVTESA-N	-2	3	345.355	0.678	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000004104545	210120950	/nfs/dbraw/zinc/12/09/50/210120950.db2.gz	DVQBEULFVAMJSG-WCQYABFASA-N	-2	3	329.312	0.244	50	0		ECAAHL
C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)[C@H](C)O)[C@H](C)O	ZINC000102601669	219213594	/nfs/dbraw/zinc/21/35/94/219213594.db2.gz	XMMDZZIYJNQNKL-YWIQKCBGSA-N	-2	3	332.294	0.028	50	0		ECAAHL
CCN(CCC(=O)[O-])C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000299753277	258006687	/nfs/dbraw/zinc/00/66/87/258006687.db2.gz	XOYFDWSTHWBKLI-INIZCTEOSA-N	-2	3	333.344	0.678	50	0		ECAAHL
CC(C)n1cnc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])c1	ZINC000653497171	440195678	/nfs/dbraw/zinc/19/56/78/440195678.db2.gz	UMLULNHIRVTADY-GFCCVEGCSA-N	-2	3	338.389	0.833	50	0		ECAAHL
CNC(=O)c1[n-]nnc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000874434344	590239979	/nfs/dbraw/zinc/23/99/79/590239979.db2.gz	LEIJYKMBXFHYEQ-UHFFFAOYSA-N	-2	3	325.350	0.282	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000100069683	219090024	/nfs/dbraw/zinc/09/00/24/219090024.db2.gz	GPDLDWBCMRDKTI-RYUDHWBXSA-N	-2	3	347.327	0.084	50	0		ECAAHL
CCOC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000004270308	210157136	/nfs/dbraw/zinc/15/71/36/210157136.db2.gz	ZTNXRCNYDXAIKM-UHFFFAOYSA-N	-2	3	339.329	0.041	50	0		ECAAHL
Cn1cc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)c(=O)[n-]c1=O	ZINC000091550765	218020284	/nfs/dbraw/zinc/02/02/84/218020284.db2.gz	CQDFEYHJWQWNHW-INIZCTEOSA-N	-2	3	335.360	0.181	50	0		ECAAHL
CCOC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)c1	ZINC000033330688	436251998	/nfs/dbraw/zinc/25/19/98/436251998.db2.gz	QQRPWFXWYAUIIZ-UHFFFAOYSA-N	-2	3	339.329	0.041	50	0		ECAAHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2[O-])c1	ZINC000340327792	437627564	/nfs/dbraw/zinc/62/75/64/437627564.db2.gz	FKDVVEGBBJEBBR-UHFFFAOYSA-N	-2	3	344.780	0.696	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2	ZINC000004426713	210192444	/nfs/dbraw/zinc/19/24/44/210192444.db2.gz	BASGYTBVPWFUDV-RYUDHWBXSA-N	-2	3	331.328	0.466	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000101162158	219118028	/nfs/dbraw/zinc/11/80/28/219118028.db2.gz	SZEYHBIPXDLVBK-JSGCOSHPSA-N	-2	3	343.339	0.553	50	0		ECAAHL
CCN(CCC(=O)[O-])C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000299753278	258006502	/nfs/dbraw/zinc/00/65/02/258006502.db2.gz	XOYFDWSTHWBKLI-MRXNPFEDSA-N	-2	3	333.344	0.678	50	0		ECAAHL
O=C(NCCCCNC(=O)c1cncc([O-])c1)c1cncc([O-])c1	ZINC000001739142	435962802	/nfs/dbraw/zinc/96/28/02/435962802.db2.gz	BBZGQNLDZSABDQ-UHFFFAOYSA-N	-2	3	330.344	0.828	50	0		ECAAHL
Cc1cc(C[C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n[nH]1	ZINC000178758585	545878045	/nfs/dbraw/zinc/87/80/45/545878045.db2.gz	XMXMOLDXDSWZTR-MRVPVSSYSA-N	-2	3	342.359	0.725	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101155189	290927946	/nfs/dbraw/zinc/92/79/46/290927946.db2.gz	YKKGCUFNAQHCRP-AAEUAGOBSA-N	-2	3	329.312	0.244	50	0		ECAAHL
O=C(NCCc1nc([O-])cc(=O)[n-]1)[C@@H]1CCOc2ccccc2C1	ZINC000096152614	436518235	/nfs/dbraw/zinc/51/82/35/436518235.db2.gz	IDBGYSNWUCKJGM-GFCCVEGCSA-N	-2	3	329.356	0.776	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100619261	219102833	/nfs/dbraw/zinc/10/28/33/219102833.db2.gz	NHDWNKCESAHHKM-RKDXNWHRSA-N	-2	3	341.245	0.696	50	0		ECAAHL
Cc1c(C(=O)N(C)CC(=O)c2ccc([O-])cc2)cnc2cc(=O)[n-]n21	ZINC000067934258	215252616	/nfs/dbraw/zinc/25/26/16/215252616.db2.gz	OGRXZUUBTPQFTF-UHFFFAOYSA-N	-2	3	340.339	0.992	50	0		ECAAHL
Cc1nc(C)c(CC(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N)n3)C2)c(=O)[n-]1	ZINC000253535399	244009355	/nfs/dbraw/zinc/00/93/55/244009355.db2.gz	OLZFDMIJVGMEIK-AOOOYVTPSA-N	-2	3	344.375	0.482	50	0		ECAAHL
C[C@@]1(c2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262969659	245275342	/nfs/dbraw/zinc/27/53/42/245275342.db2.gz	PMOXIIIEPQJBIZ-HWPZZCPQSA-N	-2	3	331.328	0.288	50	0		ECAAHL
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000015108142	436078528	/nfs/dbraw/zinc/07/85/28/436078528.db2.gz	HZZCYXFKRWWYFV-SECBINFHSA-N	-2	3	336.325	0.062	50	0		ECAAHL
Cc1ccc(S(=O)(=O)[N-]c2nc3ncnc-3c(O)[n-]2)cc1C(=O)[O-]	ZINC000028249553	436189019	/nfs/dbraw/zinc/18/90/19/436189019.db2.gz	MQNJZKNXXCTJMA-UHFFFAOYSA-N	-3	3	349.328	0.866	50	0		ECAAHL
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccc2n[n-]nc2c1	ZINC000262280045	436921528	/nfs/dbraw/zinc/92/15/28/436921528.db2.gz	ZKIHEECJGHHPQX-LLVKDONJSA-N	-2	3	345.359	0.353	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100628289	219102788	/nfs/dbraw/zinc/10/27/88/219102788.db2.gz	OKYDGXKQNAAIFR-VHSXEESVSA-N	-2	3	339.710	0.859	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000101162164	219117909	/nfs/dbraw/zinc/11/79/09/219117909.db2.gz	SZEYHBIPXDLVBK-OCCSQVGLSA-N	-2	3	343.339	0.553	50	0		ECAAHL
O=C([O-])[C@@H]1CCCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000262622191	165368739	/nfs/dbraw/zinc/36/87/39/165368739.db2.gz	CTNIDTRHPWLGBB-ZDUSSCGKSA-N	-2	3	345.355	0.546	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000100544190	436547268	/nfs/dbraw/zinc/54/72/68/436547268.db2.gz	DJVUIKZWBWXTTA-VXGBXAGGSA-N	-2	3	329.356	0.992	50	0		ECAAHL
O=C([O-])CO[C@H]1CCOC[C@H]1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000223862279	436708719	/nfs/dbraw/zinc/70/87/19/436708719.db2.gz	NUZOTOFNGYNLPY-QPJKDDTCSA-N	-2	3	341.385	0.835	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)cc3Cl)c(=O)c1-2	ZINC000018142229	436102306	/nfs/dbraw/zinc/10/23/06/436102306.db2.gz	QXMINXSNMCUMBY-IUCAKERBSA-N	-2	3	342.138	0.984	50	0		ECAAHL
O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)c1	ZINC000095392387	436494334	/nfs/dbraw/zinc/49/43/34/436494334.db2.gz	YQQWIIZDLZRUPW-GFCCVEGCSA-N	-2	3	343.339	0.781	50	0		ECAAHL
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nc([O-])c(C)c(=O)[n-]1	ZINC000225625680	436711694	/nfs/dbraw/zinc/71/16/94/436711694.db2.gz	WOFGKPXKDDEDTK-QWHCGFSZSA-N	-2	3	343.383	0.996	50	0		ECAAHL
Cn1c(=O)[n-]c(-c2c([O-])n(C)c(=O)n(C)c2=O)c1-c1ccccc1	ZINC000238924088	436758331	/nfs/dbraw/zinc/75/83/31/436758331.db2.gz	QVZCWTFVDIYIPQ-UHFFFAOYSA-N	-2	3	328.328	0.150	50	0		ECAAHL
C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1	ZINC000269052016	201229500	/nfs/dbraw/zinc/22/95/00/201229500.db2.gz	VTDCMXKPAVHGQH-IRXDYDNUSA-N	-2	3	345.355	0.678	50	0		ECAAHL
CS(=O)(=O)[N-]c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F	ZINC000262557473	245032532	/nfs/dbraw/zinc/03/25/32/245032532.db2.gz	YNYTVQYKKLIFGN-LLVKDONJSA-N	-2	3	346.336	0.123	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101099490	285672801	/nfs/dbraw/zinc/67/28/01/285672801.db2.gz	BOPVMDNZPVQHKD-OCCSQVGLSA-N	-2	3	343.339	0.634	50	0		ECAAHL
COC(=O)c1ccc(NC(=O)CSc2nc([O-])cc(=O)[n-]2)cc1	ZINC000008573134	436030329	/nfs/dbraw/zinc/03/03/29/436030329.db2.gz	IBPDEGJYCISPQW-UHFFFAOYSA-N	-2	3	335.341	0.993	50	0		ECAAHL
COC(=O)Cc1cc(=O)c2c([O-])n(-c3nc(C)cc(C)n3)nc2[n-]1	ZINC000018029752	436102027	/nfs/dbraw/zinc/10/20/27/436102027.db2.gz	UWTUMQVNUMZLNV-UHFFFAOYSA-N	-2	3	329.316	0.129	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000262408459	201204688	/nfs/dbraw/zinc/20/46/88/201204688.db2.gz	IPAAPURRXZEWBZ-APPDUMDISA-N	-2	3	345.355	0.678	50	0		ECAAHL
C[C@]1(c2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262969661	245274857	/nfs/dbraw/zinc/27/48/57/245274857.db2.gz	PMOXIIIEPQJBIZ-MGPLVRAMSA-N	-2	3	331.328	0.288	50	0		ECAAHL
COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000013581998	436062098	/nfs/dbraw/zinc/06/20/98/436062098.db2.gz	MWLNUAMKMWYWFK-UHFFFAOYSA-N	-2	3	325.346	0.489	50	0		ECAAHL
Nc1c(O)c2c([O-])cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-]	ZINC000013731265	436064792	/nfs/dbraw/zinc/06/47/92/436064792.db2.gz	ILUKGKLNMUWRMI-UHFFFAOYSA-N	-3	3	335.315	0.327	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000101135672	204002063	/nfs/dbraw/zinc/00/20/63/204002063.db2.gz	HAIGKCQMTMCKHU-PWSUYJOCSA-N	-2	3	349.730	0.589	50	0		ECAAHL
CCOC(=O)[C@]([O-])([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002217455	435965981	/nfs/dbraw/zinc/96/59/81/435965981.db2.gz	KWWGBMVDRCMYSY-SNVBAGLBSA-N	-2	3	327.280	0.779	50	0		ECAAHL
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000005375900	435989278	/nfs/dbraw/zinc/98/92/78/435989278.db2.gz	MYMFQCQALNMAGI-UHFFFAOYSA-N	-2	3	331.737	0.526	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3c(Cl)cccc3Cl)c(=O)c1-2	ZINC000100617574	436547576	/nfs/dbraw/zinc/54/75/76/436547576.db2.gz	SQGBKDUHCPZOOZ-YUMQZZPRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001576165	206294232	/nfs/dbraw/zinc/29/42/32/206294232.db2.gz	LLEUXCDZPQOJMY-DGCLKSJQSA-N	-2	3	333.344	0.472	50	0	endogenous,in-man	ECAAHL
O=C(NCCc1nc([O-])cc(=O)[n-]1)[C@H]1CCOc2ccccc2C1	ZINC000096152615	436516911	/nfs/dbraw/zinc/51/69/11/436516911.db2.gz	IDBGYSNWUCKJGM-LBPRGKRZSA-N	-2	3	329.356	0.776	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100619257	436547680	/nfs/dbraw/zinc/54/76/80/436547680.db2.gz	NHDWNKCESAHHKM-DTWKUNHWSA-N	-2	3	341.245	0.696	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000101100362	436549085	/nfs/dbraw/zinc/54/90/85/436549085.db2.gz	VODFOAKBWBQBHX-YPMHNXCESA-N	-2	3	329.312	0.326	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000018168401	201995065	/nfs/dbraw/zinc/99/50/65/201995065.db2.gz	HAIGKCQMTMCKHU-JQWIXIFHSA-N	-2	3	349.730	0.589	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000004553219	435981622	/nfs/dbraw/zinc/98/16/22/435981622.db2.gz	LBDHZJLWZZJDMF-NEPJUHHUSA-N	-2	3	347.327	0.084	50	0		ECAAHL
COc1ccc2nc(NC3=N[C@H](CC(=O)[O-])C(=O)[N-]3)nc(C)c2c1	ZINC000005724650	435992306	/nfs/dbraw/zinc/99/23/06/435992306.db2.gz	PFSBRXBQWMCYME-LLVKDONJSA-N	-2	3	329.316	0.688	50	0		ECAAHL
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc[n-]c2=O)C1	ZINC000091858258	436463239	/nfs/dbraw/zinc/46/32/39/436463239.db2.gz	ZBJFPFZOCVYMEW-INIZCTEOSA-N	-2	3	337.376	0.432	50	0		ECAAHL
O=c1[n-]c(CCNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)n[nH]1	ZINC000095502032	436497040	/nfs/dbraw/zinc/49/70/40/436497040.db2.gz	KHTLPXSHAPYBKN-UHFFFAOYSA-N	-2	3	340.343	0.319	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3OCC)c(=O)c1-2	ZINC000100048875	436546479	/nfs/dbraw/zinc/54/64/79/436546479.db2.gz	FCPAPCUIFATZJS-NWDGAFQWSA-N	-2	3	331.328	0.466	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000101100363	436548433	/nfs/dbraw/zinc/54/84/33/436548433.db2.gz	VODFOAKBWBQBHX-WCQYABFASA-N	-2	3	329.312	0.326	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000101015545	219113432	/nfs/dbraw/zinc/11/34/32/219113432.db2.gz	SYEJTMHTPVGTES-RYUDHWBXSA-N	-2	3	329.312	0.270	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000005163090	285672820	/nfs/dbraw/zinc/67/28/20/285672820.db2.gz	VODFOAKBWBQBHX-AAEUAGOBSA-N	-2	3	329.312	0.326	50	0		ECAAHL
COc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)c(OC)c1	ZINC000004270275	435976779	/nfs/dbraw/zinc/97/67/79/435976779.db2.gz	LEFFDJGIHLTTQS-UHFFFAOYSA-N	-2	3	327.318	0.294	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000101100361	436548987	/nfs/dbraw/zinc/54/89/87/436548987.db2.gz	VODFOAKBWBQBHX-DGCLKSJQSA-N	-2	3	329.312	0.326	50	0		ECAAHL
O=C([O-])CCCNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067678452	304051403	/nfs/dbraw/zinc/05/14/03/304051403.db2.gz	OZWRGWKWFMOWIQ-UHFFFAOYSA-N	-2	3	348.402	0.235	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000101135668	204002310	/nfs/dbraw/zinc/00/23/10/204002310.db2.gz	HAIGKCQMTMCKHU-ZYHUDNBSSA-N	-2	3	349.730	0.589	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c(C)o1	ZINC000263284313	165434085	/nfs/dbraw/zinc/43/40/85/165434085.db2.gz	XUDYWBVBHDMGSZ-PSASIEDQSA-N	-2	3	344.389	0.821	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000017778733	436102187	/nfs/dbraw/zinc/10/21/87/436102187.db2.gz	QHFSAHZPOSPVDN-JQWIXIFHSA-N	-2	3	333.275	0.075	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101000337	219113842	/nfs/dbraw/zinc/11/38/42/219113842.db2.gz	OGQGXYBQBFAMFE-JQWIXIFHSA-N	-2	3	330.300	0.769	50	0		ECAAHL
O=C([O-])Cn1nc(Cc2cccs2)nc1CN1CC(=O)[N-]C1=O	ZINC000097307770	219010950	/nfs/dbraw/zinc/01/09/50/219010950.db2.gz	XJAJHOOREFGHHN-UHFFFAOYSA-N	-2	3	335.345	0.067	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000101015546	219113545	/nfs/dbraw/zinc/11/35/45/219113545.db2.gz	SYEJTMHTPVGTES-VXGBXAGGSA-N	-2	3	329.312	0.270	50	0		ECAAHL
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1cc(=O)[n-]o1)C2	ZINC000072121112	216014174	/nfs/dbraw/zinc/01/41/74/216014174.db2.gz	BFTWUQFXWAFJJI-UHFFFAOYSA-N	-2	3	333.348	0.047	50	0		ECAAHL
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc(C)[n-]c2=O)C1	ZINC000091931023	218089884	/nfs/dbraw/zinc/08/98/84/218089884.db2.gz	ISTJBAYQVQNKOI-INIZCTEOSA-N	-2	3	337.376	0.351	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000005091509	210388516	/nfs/dbraw/zinc/38/85/16/210388516.db2.gz	OGXAZNPWVRSJHI-ZYHUDNBSSA-N	-2	3	330.300	0.633	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F	ZINC000328591107	258044475	/nfs/dbraw/zinc/04/44/75/258044475.db2.gz	JUXPYBWQYODGPF-JTQLQIEISA-N	-2	3	330.337	0.423	50	0		ECAAHL
C[C@@]1(c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000299743159	258008843	/nfs/dbraw/zinc/00/88/43/258008843.db2.gz	MFIDQOGRUHQTPJ-HWPZZCPQSA-N	-2	3	331.328	0.288	50	0		ECAAHL
N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001576166	435959909	/nfs/dbraw/zinc/95/99/09/435959909.db2.gz	LLEUXCDZPQOJMY-AAEUAGOBSA-N	-2	3	333.344	0.472	50	0	endogenous,investigational	ECAAHL
O=C([O-])[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000261633904	436881407	/nfs/dbraw/zinc/88/14/07/436881407.db2.gz	DBNYSPXKGZIKOK-VIFPVBQESA-N	-2	3	332.403	0.350	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000269052014	437449125	/nfs/dbraw/zinc/44/91/25/437449125.db2.gz	VTDCMXKPAVHGQH-DLBZAZTESA-N	-2	3	345.355	0.678	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3OCC)c(=O)c1-2	ZINC000100048868	219089139	/nfs/dbraw/zinc/08/91/39/219089139.db2.gz	FCPAPCUIFATZJS-RYUDHWBXSA-N	-2	3	331.328	0.466	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000100061764	219090047	/nfs/dbraw/zinc/09/00/47/219090047.db2.gz	DUZJIJPRRGAHNG-RKDXNWHRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000101003909	219113443	/nfs/dbraw/zinc/11/34/43/219113443.db2.gz	QGHKKQIWCXNVED-ZYHUDNBSSA-N	-2	3	330.300	0.769	50	0		ECAAHL
COCCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc[n-]c2=O)C1	ZINC000091858255	218078062	/nfs/dbraw/zinc/07/80/62/218078062.db2.gz	ZBJFPFZOCVYMEW-MRXNPFEDSA-N	-2	3	337.376	0.432	50	0		ECAAHL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc([O-])cs2)cc1	ZINC000009218381	211053689	/nfs/dbraw/zinc/05/36/89/211053689.db2.gz	MLRMHCGBANMODD-UHFFFAOYSA-N	-2	3	328.371	0.771	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000004859997	210305416	/nfs/dbraw/zinc/30/54/16/210305416.db2.gz	NHDWNKCESAHHKM-BDAKNGLRSA-N	-2	3	341.245	0.696	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000096930571	436533769	/nfs/dbraw/zinc/53/37/69/436533769.db2.gz	XTFXJXBIWWANJJ-ZYHUDNBSSA-N	-2	3	349.730	0.589	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F	ZINC000269083928	437452488	/nfs/dbraw/zinc/45/24/88/437452488.db2.gz	JUXPYBWQYODGPF-SNVBAGLBSA-N	-2	3	330.337	0.423	50	0		ECAAHL
CC(C)n1cnc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c1	ZINC000653497172	440195252	/nfs/dbraw/zinc/19/52/52/440195252.db2.gz	UMLULNHIRVTADY-LBPRGKRZSA-N	-2	3	338.389	0.833	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000018010590	436102174	/nfs/dbraw/zinc/10/21/74/436102174.db2.gz	XXWKDXVXNYIUQS-GXTWGEPZSA-N	-2	3	343.339	0.553	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(C(C)=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000100170961	436547640	/nfs/dbraw/zinc/54/76/40/436547640.db2.gz	CFWLHQWKXNXVMV-JSGCOSHPSA-N	-2	3	343.339	0.498	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c1-2	ZINC000100166230	219093678	/nfs/dbraw/zinc/09/36/78/219093678.db2.gz	USFOYDKNHSYAMY-RKDXNWHRSA-N	-2	3	341.245	0.696	50	0		ECAAHL
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1ccc2n[n-]nc2c1	ZINC000262511072	165357958	/nfs/dbraw/zinc/35/79/58/165357958.db2.gz	KETRFESFAJJTBR-UHFFFAOYSA-N	-2	3	345.359	0.353	50	0		ECAAHL
CCCCc1c([O-])nc(SCC(=O)N2CCOCC2)[n-]c1=O	ZINC000008586340	436032643	/nfs/dbraw/zinc/03/26/43/436032643.db2.gz	FZDLORVEFPIZEY-UHFFFAOYSA-N	-2	3	327.406	0.769	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(C)o1	ZINC000263284316	436961259	/nfs/dbraw/zinc/96/12/59/436961259.db2.gz	XUDYWBVBHDMGSZ-WCBMZHEXSA-N	-2	3	344.389	0.821	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2	ZINC000100047752	219088942	/nfs/dbraw/zinc/08/89/42/219088942.db2.gz	BASGYTBVPWFUDV-NWDGAFQWSA-N	-2	3	331.328	0.466	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000101003919	219113656	/nfs/dbraw/zinc/11/36/56/219113656.db2.gz	QGHKKQIWCXNVED-CMPLNLGQSA-N	-2	3	330.300	0.769	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000101162170	219117553	/nfs/dbraw/zinc/11/75/53/219117553.db2.gz	SZEYHBIPXDLVBK-TZMCWYRMSA-N	-2	3	343.339	0.553	50	0		ECAAHL
O=C([O-])c1ccccc1CC(=O)Nc1n[n-]c(C(=O)N2CCCC2)n1	ZINC000071284515	304268448	/nfs/dbraw/zinc/26/84/48/304268448.db2.gz	PYPISHPDYGKVPS-UHFFFAOYSA-N	-2	3	343.343	0.920	50	0		ECAAHL
COc1ccc2nc(NC3=N[C@@H](CC(=O)[O-])C(=O)[N-]3)nc(C)c2c1	ZINC000005724651	435991178	/nfs/dbraw/zinc/99/11/78/435991178.db2.gz	PFSBRXBQWMCYME-NSHDSACASA-N	-2	3	329.316	0.688	50	0		ECAAHL
COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)n[n-]c2=S)c1	ZINC000005895757	435994303	/nfs/dbraw/zinc/99/43/03/435994303.db2.gz	OXXHUYHQPHILTK-UHFFFAOYSA-N	-2	3	331.357	0.906	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3OCC)c(=O)c1-2	ZINC000018007789	436103366	/nfs/dbraw/zinc/10/33/66/436103366.db2.gz	FCPAPCUIFATZJS-VXGBXAGGSA-N	-2	3	331.328	0.466	50	0		ECAAHL
Nc1cc(=O)[n-]c(CCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n1	ZINC000223476269	436706877	/nfs/dbraw/zinc/70/68/77/436706877.db2.gz	VTESJNYLTAZPOE-UHFFFAOYSA-N	-2	3	340.343	0.216	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C)c1	ZINC000071767080	545679545	/nfs/dbraw/zinc/67/95/45/545679545.db2.gz	RJQMQIOSPNMZPC-UHFFFAOYSA-N	-2	3	333.218	0.810	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101155194	290928128	/nfs/dbraw/zinc/92/81/28/290928128.db2.gz	YKKGCUFNAQHCRP-WCQYABFASA-N	-2	3	329.312	0.244	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000101002345	436547623	/nfs/dbraw/zinc/54/76/23/436547623.db2.gz	GDDSWQVORQYJIH-ZWNOBZJWSA-N	-2	3	344.327	0.996	50	0		ECAAHL
C[C@@H](O)[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)[C@H](C)O	ZINC000239433297	436758096	/nfs/dbraw/zinc/75/80/96/436758096.db2.gz	XMMDZZIYJNQNKL-KVFPUHGPSA-N	-2	3	332.294	0.028	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000101000328	219113537	/nfs/dbraw/zinc/11/35/37/219113537.db2.gz	OGQGXYBQBFAMFE-ZYHUDNBSSA-N	-2	3	330.300	0.769	50	0		ECAAHL
O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000095386627	218317909	/nfs/dbraw/zinc/31/79/09/218317909.db2.gz	SKLQXFROMFURJQ-LBPRGKRZSA-N	-2	3	343.339	0.781	50	0		ECAAHL
COc1ccc(CC[N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000033327117	436253078	/nfs/dbraw/zinc/25/30/78/436253078.db2.gz	AOVBKGHLEIYQIK-UHFFFAOYSA-N	-2	3	325.346	0.005	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000101015544	219113986	/nfs/dbraw/zinc/11/39/86/219113986.db2.gz	SYEJTMHTPVGTES-NWDGAFQWSA-N	-2	3	329.312	0.270	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000101023890	219114776	/nfs/dbraw/zinc/11/47/76/219114776.db2.gz	OGXAZNPWVRSJHI-CMPLNLGQSA-N	-2	3	330.300	0.633	50	0		ECAAHL
COCCNC(=O)c1[n-]nnc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000003767188	210073058	/nfs/dbraw/zinc/07/30/58/210073058.db2.gz	CFNDJLGEPFFUFM-UHFFFAOYSA-N	-2	3	339.377	0.290	50	0		ECAAHL
COc1cccc2c(C)nc(NC3=N[C@@H](CC(=O)[O-])C(=O)[N-]3)nc12	ZINC000003225413	435973312	/nfs/dbraw/zinc/97/33/12/435973312.db2.gz	GWJGVRGRWBHXDL-VIFPVBQESA-N	-2	3	329.316	0.688	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000101002341	436547191	/nfs/dbraw/zinc/54/71/91/436547191.db2.gz	GDDSWQVORQYJIH-MFKMUULPSA-N	-2	3	344.327	0.996	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000100639100	436547660	/nfs/dbraw/zinc/54/76/60/436547660.db2.gz	XXWKDXVXNYIUQS-TZMCWYRMSA-N	-2	3	343.339	0.553	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000100628311	219102395	/nfs/dbraw/zinc/10/23/95/219102395.db2.gz	DVQBEULFVAMJSG-AAEUAGOBSA-N	-2	3	329.312	0.244	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100628290	219102410	/nfs/dbraw/zinc/10/24/10/219102410.db2.gz	OKYDGXKQNAAIFR-UWVGGRQHSA-N	-2	3	339.710	0.859	50	0		ECAAHL
Cc1[n-]n(-c2ncc(C(=O)[O-])c(=O)[n-]2)c(=O)c1Cc1ccccc1	ZINC000004024768	210101682	/nfs/dbraw/zinc/10/16/82/210101682.db2.gz	FLKUAMLNAHLDDH-UHFFFAOYSA-N	-3	3	326.312	0.846	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000000544024	435956618	/nfs/dbraw/zinc/95/66/18/435956618.db2.gz	SZEYHBIPXDLVBK-GXTWGEPZSA-N	-2	3	343.339	0.553	50	0		ECAAHL
C[C@@H](O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)[C@H](C)O	ZINC000017068208	436098511	/nfs/dbraw/zinc/09/85/11/436098511.db2.gz	XMMDZZIYJNQNKL-DKXJUACHSA-N	-2	3	332.294	0.028	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000101135676	219116900	/nfs/dbraw/zinc/11/69/00/219116900.db2.gz	HAIGKCQMTMCKHU-CMPLNLGQSA-N	-2	3	349.730	0.589	50	0		ECAAHL
CC(C)Cc1cc(C(=O)N2CCN(CCC(=O)[O-])CC2)[n-]c(=O)n1	ZINC000299765068	258079964	/nfs/dbraw/zinc/07/99/64/258079964.db2.gz	UFBKIHMDCHGSGL-UHFFFAOYSA-N	-2	3	336.392	0.613	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000100628313	219102555	/nfs/dbraw/zinc/10/25/55/219102555.db2.gz	DVQBEULFVAMJSG-YPMHNXCESA-N	-2	3	329.312	0.244	50	0		ECAAHL
CC(C)c1c([O-])nc(SCC(=O)NC[C@H]2CCCO2)[n-]c1=O	ZINC000005129533	210396666	/nfs/dbraw/zinc/39/66/66/210396666.db2.gz	MKHCTUDRCNNONX-SECBINFHSA-N	-2	3	327.406	0.986	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2	ZINC000004104526	285673306	/nfs/dbraw/zinc/67/33/06/285673306.db2.gz	DJVUIKZWBWXTTA-RYUDHWBXSA-N	-2	3	329.356	0.992	50	0		ECAAHL
COC(=O)[C@]([O-])([N-]S(=O)(=O)c1ccccc1C)C(F)(F)F	ZINC000003211433	435972782	/nfs/dbraw/zinc/97/27/82/435972782.db2.gz	AVNBXYJXEQOLKS-SNVBAGLBSA-N	-2	3	327.280	0.697	50	0		ECAAHL
COc1cccc2c(C)nc(NC3=N[C@H](CC(=O)[O-])C(=O)[N-]3)nc12	ZINC000003225414	435973928	/nfs/dbraw/zinc/97/39/28/435973928.db2.gz	GWJGVRGRWBHXDL-SECBINFHSA-N	-2	3	329.316	0.688	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000005217420	435986625	/nfs/dbraw/zinc/98/66/25/435986625.db2.gz	YKKGCUFNAQHCRP-DGCLKSJQSA-N	-2	3	329.312	0.244	50	0		ECAAHL
CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3nn[n-]n3)cc21	ZINC000071447134	436007962	/nfs/dbraw/zinc/00/79/62/436007962.db2.gz	ZANOTPAFVQFZTD-SSDOTTSWSA-N	-2	3	338.349	0.134	50	0		ECAAHL
CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3nnn[n-]3)cc21	ZINC000071447134	436007966	/nfs/dbraw/zinc/00/79/66/436007966.db2.gz	ZANOTPAFVQFZTD-SSDOTTSWSA-N	-2	3	338.349	0.134	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000018066171	436103596	/nfs/dbraw/zinc/10/35/96/436103596.db2.gz	OKYDGXKQNAAIFR-NXEZZACHSA-N	-2	3	339.710	0.859	50	0		ECAAHL
Cn1nc(C(=O)[O-])c2c1CCN(C(=O)c1ccc3n[n-]nc3c1)C2	ZINC000214956849	545919324	/nfs/dbraw/zinc/91/93/24/545919324.db2.gz	JSIXBCUDKUCPRM-UHFFFAOYSA-N	-2	3	326.316	0.588	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)cc3Cl)c(=O)c1-2	ZINC000100568133	219101953	/nfs/dbraw/zinc/10/19/53/219101953.db2.gz	QXMINXSNMCUMBY-DTWKUNHWSA-N	-2	3	342.138	0.984	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000100999229	219113757	/nfs/dbraw/zinc/11/37/57/219113757.db2.gz	CYMMFLBGHQKHSG-JQWIXIFHSA-N	-2	3	330.300	0.687	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(C)c(C)c3)c(=O)c1-2	ZINC000100999233	219113862	/nfs/dbraw/zinc/11/38/62/219113862.db2.gz	CYMMFLBGHQKHSG-PWSUYJOCSA-N	-2	3	330.300	0.687	50	0		ECAAHL
COc1ccc(OC)c([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)c1	ZINC000004270305	210157403	/nfs/dbraw/zinc/15/74/03/210157403.db2.gz	UVCZKOPOLPRFGK-UHFFFAOYSA-N	-2	3	327.318	0.294	50	0		ECAAHL
O=C([O-])c1[nH]c(=O)[n-]c(=O)c1CN1CCN(Cc2ccccc2)CC1	ZINC000226756658	242114480	/nfs/dbraw/zinc/11/44/80/242114480.db2.gz	FSZWFVOOIKBCSI-UHFFFAOYSA-N	-2	3	344.371	0.079	50	0		ECAAHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262632842	245080430	/nfs/dbraw/zinc/08/04/30/245080430.db2.gz	FQJZFQRANLPJJM-UWVGGRQHSA-N	-2	3	346.430	0.881	50	0		ECAAHL
CC(C)Cc1c([O-])nc(SCC(=O)N2CCOCC2)[n-]c1=O	ZINC000005129496	210396692	/nfs/dbraw/zinc/39/66/92/210396692.db2.gz	BKFYPWLCQJHKTR-UHFFFAOYSA-N	-2	3	327.406	0.625	50	0		ECAAHL
C[C@@H](CN(C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000268946437	437440008	/nfs/dbraw/zinc/44/00/08/437440008.db2.gz	WTIUFUICDHBORX-FVMDXXJSSA-N	-2	3	333.344	0.534	50	0		ECAAHL
O=C([O-])c1[nH]c(=O)[n-]c(=O)c1CN1CCN(c2ccccc2)CC1	ZINC000001432680	435957723	/nfs/dbraw/zinc/95/77/23/435957723.db2.gz	YOYUZVWGEDMNMZ-UHFFFAOYSA-N	-2	3	330.344	0.084	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(C(C)=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000017748612	436101717	/nfs/dbraw/zinc/10/17/17/436101717.db2.gz	CFWLHQWKXNXVMV-GXTWGEPZSA-N	-2	3	343.339	0.498	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000096930572	290928091	/nfs/dbraw/zinc/92/80/91/290928091.db2.gz	XTFXJXBIWWANJJ-CMPLNLGQSA-N	-2	3	349.730	0.589	50	0		ECAAHL
O=C([O-])[C@H]1CCCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000262516147	245013237	/nfs/dbraw/zinc/01/32/37/245013237.db2.gz	CTNIDTRHPWLGBB-CYBMUJFWSA-N	-2	3	345.355	0.546	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000000535520	435955889	/nfs/dbraw/zinc/95/58/89/435955889.db2.gz	KWBZLUOWYVMAQF-VXGBXAGGSA-N	-2	3	329.312	0.270	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000100166146	219093581	/nfs/dbraw/zinc/09/35/81/219093581.db2.gz	KWBZLUOWYVMAQF-RYUDHWBXSA-N	-2	3	329.312	0.270	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000101002874	219113739	/nfs/dbraw/zinc/11/37/39/219113739.db2.gz	JDJFMRGOBKFJAG-JQWIXIFHSA-N	-2	3	330.300	0.687	50	0		ECAAHL
Cc1[n-][nH]c(=O)c1CC(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1	ZINC000253535271	244010284	/nfs/dbraw/zinc/01/02/84/244010284.db2.gz	JQNMJTOYTUZFKA-PHIMTYICSA-N	-2	3	343.387	0.989	50	0		ECAAHL
Cc1ccccc1[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)C[C@H]1C(=O)[O-]	ZINC000091587038	218026657	/nfs/dbraw/zinc/02/66/57/218026657.db2.gz	JIJILWLWKHACIY-QWHCGFSZSA-N	-2	3	345.355	0.173	50	0		ECAAHL
COC(=O)[C@@]([O-])([N-]S(=O)(=O)c1ccccc1C)C(F)(F)F	ZINC000003211435	435974040	/nfs/dbraw/zinc/97/40/40/435974040.db2.gz	AVNBXYJXEQOLKS-JTQLQIEISA-N	-2	3	327.280	0.697	50	0		ECAAHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2cccc(C)c2)[n-]c1=O	ZINC000000077134	435949123	/nfs/dbraw/zinc/94/91/23/435949123.db2.gz	FTTVVQIVPOVNEX-UHFFFAOYSA-N	-2	3	348.384	0.184	50	0		ECAAHL
CC[C@@H](C)c1c([O-])nc(SCC(=O)N2CCOCC2)[n-]c1=O	ZINC000018056364	436102203	/nfs/dbraw/zinc/10/22/03/436102203.db2.gz	VIERXFRUTKANBA-SECBINFHSA-N	-2	3	327.406	0.940	50	0		ECAAHL
Cc1nc(C)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)s1	ZINC000274973297	436903616	/nfs/dbraw/zinc/90/36/16/436903616.db2.gz	KOQGIIDNJJDXRK-UHFFFAOYSA-N	-2	3	334.419	0.920	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(C)o1	ZINC000263284318	436961352	/nfs/dbraw/zinc/96/13/52/436961352.db2.gz	XUDYWBVBHDMGSZ-WPRPVWTQSA-N	-2	3	344.389	0.821	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000100069680	219089992	/nfs/dbraw/zinc/08/99/92/219089992.db2.gz	GPDLDWBCMRDKTI-NWDGAFQWSA-N	-2	3	347.327	0.084	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)c1-2	ZINC000100166191	219093551	/nfs/dbraw/zinc/09/35/51/219093551.db2.gz	MVXHILLINFJSGQ-RKDXNWHRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000262523476	245016380	/nfs/dbraw/zinc/01/63/80/245016380.db2.gz	FQJZFQRANLPJJM-NXEZZACHSA-N	-2	3	346.430	0.881	50	0		ECAAHL
CC(C)c1nc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cc(=O)[n-]1	ZINC000095355132	218289662	/nfs/dbraw/zinc/28/96/62/218289662.db2.gz	NXJWAPXGLCMJOC-LLVKDONJSA-N	-2	3	348.403	0.795	50	0		ECAAHL
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(C)c3)c(=O)c1-2	ZINC000005054495	210376738	/nfs/dbraw/zinc/37/67/38/210376738.db2.gz	QGHKKQIWCXNVED-JQWIXIFHSA-N	-2	3	330.300	0.769	50	0		ECAAHL
N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001576164	435958343	/nfs/dbraw/zinc/95/83/43/435958343.db2.gz	LLEUXCDZPQOJMY-YPMHNXCESA-N	-2	3	333.344	0.472	50	0	endogenous,in-man	ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000018044698	436102813	/nfs/dbraw/zinc/10/28/13/436102813.db2.gz	ZJWWOUJLQVCDFK-RKDXNWHRSA-N	-2	3	325.683	0.469	50	0		ECAAHL
Cc1c2nc(SCc3cc(=O)[n-]c(CO)n3)[n-]c(=O)c2nn1C	ZINC000057355753	214423329	/nfs/dbraw/zinc/42/33/29/214423329.db2.gz	MJZBRJWOWNAKRQ-UHFFFAOYSA-N	-2	3	334.361	0.245	50	0		ECAAHL
CCOC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101145411	285672822	/nfs/dbraw/zinc/67/28/22/285672822.db2.gz	HYDRAMVNGPCMRN-WCQYABFASA-N	-2	3	347.302	0.465	50	0		ECAAHL
COC(=O)[C@@]([O-])([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000003103464	435972095	/nfs/dbraw/zinc/97/20/95/435972095.db2.gz	FVLUWZCEVXSQLS-JTQLQIEISA-N	-2	3	327.280	0.697	50	0		ECAAHL
COC(=O)c1ccc(NC(=O)CSc2nc([O-])cc(=O)[n-]2)cc1	ZINC000000033215	435949233	/nfs/dbraw/zinc/94/92/33/435949233.db2.gz	IQGUJGAFVUETQS-UHFFFAOYSA-N	-2	3	335.341	0.547	50	0		ECAAHL
O=C([O-])[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000261633900	436881381	/nfs/dbraw/zinc/88/13/81/436881381.db2.gz	DBNYSPXKGZIKOK-SECBINFHSA-N	-2	3	332.403	0.350	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000101002880	219113460	/nfs/dbraw/zinc/11/34/60/219113460.db2.gz	JDJFMRGOBKFJAG-ZYHUDNBSSA-N	-2	3	330.300	0.687	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000101002876	219113689	/nfs/dbraw/zinc/11/36/89/219113689.db2.gz	JDJFMRGOBKFJAG-PWSUYJOCSA-N	-2	3	330.300	0.687	50	0		ECAAHL
O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2c[n-]nn2)cc1	ZINC000219341450	241382585	/nfs/dbraw/zinc/38/25/85/241382585.db2.gz	IPNWGYLHWOYJTF-CHWSQXEVSA-N	-2	3	332.316	0.469	50	0		ECAAHL
O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cnn[n-]2)cc1	ZINC000219341450	241382589	/nfs/dbraw/zinc/38/25/89/241382589.db2.gz	IPNWGYLHWOYJTF-CHWSQXEVSA-N	-2	3	332.316	0.469	50	0		ECAAHL
O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cn[n-]n2)cc1	ZINC000219341450	241382593	/nfs/dbraw/zinc/38/25/93/241382593.db2.gz	IPNWGYLHWOYJTF-CHWSQXEVSA-N	-2	3	332.316	0.469	50	0		ECAAHL
CCc1c([O-])nc(SCC(=O)Nc2ccccc2C(N)=O)[n-]c1=O	ZINC000008572914	436031053	/nfs/dbraw/zinc/03/10/53/436031053.db2.gz	PSTUYNUGJFBYNE-UHFFFAOYSA-N	-2	3	348.384	0.868	50	0		ECAAHL
CCc1ccc(-n2c([O-])c3n(C(C)=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000100170966	436547153	/nfs/dbraw/zinc/54/71/53/436547153.db2.gz	CFWLHQWKXNXVMV-OCCSQVGLSA-N	-2	3	343.339	0.498	50	0		ECAAHL
COc1cccc(-n2c(O)c3[n-][n-]c(C(=O)OC(C)C)c-3c2=O)c1	ZINC000006159850	210596116	/nfs/dbraw/zinc/59/61/16/210596116.db2.gz	BHVHADKSKYPSAH-RYUDHWBXSA-N	-2	3	331.328	0.464	50	0		ECAAHL
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cc(C)cc(C)c3)c(=O)c1-2	ZINC000005054302	210377630	/nfs/dbraw/zinc/37/76/30/210377630.db2.gz	JDJFMRGOBKFJAG-CMPLNLGQSA-N	-2	3	330.300	0.687	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3OC)c(=O)c1-2	ZINC000100166137	219093028	/nfs/dbraw/zinc/09/30/28/219093028.db2.gz	LBDHZJLWZZJDMF-NWDGAFQWSA-N	-2	3	347.327	0.084	50	0		ECAAHL
Cc1ncc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(=O)[n-]1	ZINC000091595523	218029185	/nfs/dbraw/zinc/02/91/85/218029185.db2.gz	KOKZINDCTMMLDH-LSDHHAIUSA-N	-2	3	341.367	0.948	50	0		ECAAHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F	ZINC000269204317	437467977	/nfs/dbraw/zinc/46/79/77/437467977.db2.gz	SNWDTGXZKXLAJE-SECBINFHSA-N	-2	3	330.337	0.281	50	0		ECAAHL
O=C([O-])Cn1ccc([C@H]2CCCN(Cc3cc(=O)[n-]c(=O)[nH]3)C2)n1	ZINC000426712571	438070501	/nfs/dbraw/zinc/07/05/01/438070501.db2.gz	DUNOAYHBMHZYHO-JTQLQIEISA-N	-2	3	333.348	0.549	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c1-2	ZINC000100061759	219089616	/nfs/dbraw/zinc/08/96/16/219089616.db2.gz	DUZJIJPRRGAHNG-DTWKUNHWSA-N	-2	3	342.138	0.984	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100166197	219093061	/nfs/dbraw/zinc/09/30/61/219093061.db2.gz	ZJWWOUJLQVCDFK-DTWKUNHWSA-N	-2	3	325.683	0.469	50	0		ECAAHL
Cc1nc(CNC(=O)c2ccc(-n3cc([O-])[nH]c3=O)cc2)cc(=O)[n-]1	ZINC000095373771	218306518	/nfs/dbraw/zinc/30/65/18/218306518.db2.gz	CXLLODHREFMHTR-UHFFFAOYSA-N	-2	3	341.327	0.065	50	0		ECAAHL
C[C@@]1(c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000299743162	258009179	/nfs/dbraw/zinc/00/91/79/258009179.db2.gz	MFIDQOGRUHQTPJ-QFYYESIMSA-N	-2	3	331.328	0.288	50	0		ECAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000018173493	436103654	/nfs/dbraw/zinc/10/36/54/436103654.db2.gz	XTFXJXBIWWANJJ-JQWIXIFHSA-N	-2	3	349.730	0.589	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000018276536	436105323	/nfs/dbraw/zinc/10/53/23/436105323.db2.gz	KWBZLUOWYVMAQF-NWDGAFQWSA-N	-2	3	329.312	0.270	50	0		ECAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(Cl)cc3Cl)c(=O)c1-2	ZINC000100568134	219101838	/nfs/dbraw/zinc/10/18/38/219101838.db2.gz	QXMINXSNMCUMBY-RKDXNWHRSA-N	-2	3	342.138	0.984	50	0		ECAAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc(OC)ccc3OC)c(=O)c1-2	ZINC000004309816	210166131	/nfs/dbraw/zinc/16/61/31/210166131.db2.gz	GPDLDWBCMRDKTI-NEPJUHHUSA-N	-2	3	347.327	0.084	50	0		ECAAHL
CCOc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000020902366	212184579	/nfs/dbraw/zinc/18/45/79/212184579.db2.gz	KIFZPDHFAHQTOQ-UHFFFAOYSA-N	-2	3	325.346	0.571	50	0		ECAAHL
COC[C@@H](O)CNC(=O)Cc1c(C)c2c([O-])cc([O-])cc2oc1=O	ZINC000008879238	211013841	/nfs/dbraw/zinc/01/38/41/211013841.db2.gz	FWSVPUBBBRVYFU-JTQLQIEISA-N	-2	3	337.328	0.179	50	0		ECAAHL
C[C@]1(c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2)NC(=O)[N-]C1=O	ZINC000268885447	437435197	/nfs/dbraw/zinc/43/51/97/437435197.db2.gz	BSEWSGZNKXTCKE-MRXNPFEDSA-N	-2	3	331.328	0.430	50	0		ECAAHL