smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)N1CCOCC1	ZINC000275012750	379731678	/nfs/dbraw/zinc/73/16/78/379731678.db2.gz	NPRMRHUZMFIDBJ-UHFFFAOYSA-N	-1	3	349.387	-0.286	20	10		EBCDHM
COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OC	ZINC000293887596	380993139	/nfs/dbraw/zinc/99/31/39/380993139.db2.gz	DWJCQXHKXRRNSG-NSHDSACASA-N	-1	3	346.361	-0.319	20	10		EBCDHM
CS(=O)(=O)N1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)CC1	ZINC000768440623	583314663	/nfs/dbraw/zinc/31/46/63/583314663.db2.gz	BCHGFHHEPUNBHR-CYBMUJFWSA-N	-1	3	328.390	-0.105	20	10		EBCDHM
Cn1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nn1	ZINC000783619358	583480462	/nfs/dbraw/zinc/48/04/62/583480462.db2.gz	UXLDQXJNASSJPR-UHFFFAOYSA-N	-1	3	325.350	-0.178	20	10		EBCDHM
CC(=O)C(=O)COC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000808548406	583670160	/nfs/dbraw/zinc/67/01/60/583670160.db2.gz	XUUAYIIEJBEIMW-UHFFFAOYSA-N	-1	3	344.301	-0.426	20	10		EBCDHM
CC1(C(N)=O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000843941542	584084575	/nfs/dbraw/zinc/08/45/75/584084575.db2.gz	NXTMHWARLGJCJE-UHFFFAOYSA-N	-1	3	327.362	-0.289	20	10		EBCDHM
COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)cc1	ZINC000855233876	584256736	/nfs/dbraw/zinc/25/67/36/584256736.db2.gz	OGJCPVKQIFBZDL-GWCFXTLKSA-N	-1	3	332.360	-0.012	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C(N)=O)c1	ZINC000862896438	584360438	/nfs/dbraw/zinc/36/04/38/584360438.db2.gz	TZDFBBBKAFRXDQ-JTQLQIEISA-N	-1	3	327.362	-0.146	20	10		EBCDHM
Cc1ccc(C(=O)N2CCC(NS(N)(=O)=O)CC2)c([O-])c1O	ZINC000863348963	584368762	/nfs/dbraw/zinc/36/87/62/584368762.db2.gz	WJCVSQMVZOGWQE-UHFFFAOYSA-N	-1	3	329.378	-0.196	20	10		EBCDHM
CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220490028	811124968	/nfs/dbraw/zinc/12/49/68/811124968.db2.gz	PRDHNQIFWWVVHV-NSHDSACASA-N	-1	3	337.376	-0.114	20	10		EBCDHM
Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269560397	814724979	/nfs/dbraw/zinc/72/49/79/814724979.db2.gz	SXWBUCXKVKILIR-VIFPVBQESA-N	-1	3	344.331	-0.278	20	10		EBCDHM
CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1=O	ZINC000265906567	379260135	/nfs/dbraw/zinc/26/01/35/379260135.db2.gz	BERPOTJKHSMPOE-UHFFFAOYSA-N	-1	3	327.362	-0.322	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC(=O)NC2=O)c1	ZINC000270786832	379475883	/nfs/dbraw/zinc/47/58/83/379475883.db2.gz	UJVFFECANZUSFK-VIFPVBQESA-N	-1	3	341.345	-0.701	20	10		EBCDHM
CN(C)C(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271991900	379553808	/nfs/dbraw/zinc/55/38/08/379553808.db2.gz	RAYXVIFQQUREFO-UHFFFAOYSA-N	-1	3	344.393	-0.235	20	10		EBCDHM
NS(=O)(=O)CCN1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000279299105	379946322	/nfs/dbraw/zinc/94/63/22/379946322.db2.gz	NECPPCYLTGDCRE-UHFFFAOYSA-N	-1	3	329.378	-0.856	20	10		EBCDHM
CN(C)c1ccc([C@H](N)CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000843298360	584075406	/nfs/dbraw/zinc/07/54/06/584075406.db2.gz	MOHHEAPZMGCNKG-CQSZACIVSA-N	-1	3	345.403	-0.191	20	10		EBCDHM
COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846452127	584126147	/nfs/dbraw/zinc/12/61/47/584126147.db2.gz	PZNLUCSXJWDERK-GHMZBOCLSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
COc1cc(C(=O)N[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)cc(OC)n1	ZINC001020352596	729144125	/nfs/dbraw/zinc/14/41/25/729144125.db2.gz	XENPYXONXUEHDI-MGCOHNPYSA-N	-1	3	348.363	-0.027	20	10		EBCDHM
Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(O)c1[O-]	ZINC001269608143	814746329	/nfs/dbraw/zinc/74/63/29/814746329.db2.gz	WFDXNWOGQFBIIY-AOOOYVTPSA-N	-1	3	343.343	-0.035	20	10		EBCDHM
NS(=O)(=O)c1cnn(CC(=O)NCc2c([O-])cccc2F)c1	ZINC001178412624	832862284	/nfs/dbraw/zinc/86/22/84/832862284.db2.gz	BXTFBKUQIJONCF-UHFFFAOYSA-N	-1	3	328.325	-0.308	20	10		EBCDHM
CN1CCCc2cc(CNC(=O)c3[nH]c(=O)[n-]c(=O)c3N)ccc21	ZINC000073132611	376309372	/nfs/dbraw/zinc/30/93/72/376309372.db2.gz	GOKGGLSIMIEEOG-UHFFFAOYSA-N	-1	3	329.360	-0.042	20	10		EBCDHM
COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OC	ZINC000293887594	380992213	/nfs/dbraw/zinc/99/22/13/380992213.db2.gz	DWJCQXHKXRRNSG-LLVKDONJSA-N	-1	3	346.361	-0.319	20	10		EBCDHM
CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1	ZINC000749025471	583124686	/nfs/dbraw/zinc/12/46/86/583124686.db2.gz	NOBBXPWTHZLDPQ-CQSZACIVSA-N	-1	3	345.403	-0.395	20	10		EBCDHM
C=CC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769783174	583327663	/nfs/dbraw/zinc/32/76/63/583327663.db2.gz	FCGMQMIAAHEHIF-UHFFFAOYSA-N	-1	3	327.362	-0.204	20	10		EBCDHM
O=C(CCNC(=O)c1cccc(O)c1[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000790536942	583544462	/nfs/dbraw/zinc/54/44/62/583544462.db2.gz	BEHWEUMVXJIXCY-SECBINFHSA-N	-1	3	342.373	-0.479	20	10		EBCDHM
CO[C@@H]1COC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000844027936	584086695	/nfs/dbraw/zinc/08/66/95/584086695.db2.gz	XIXTYVQRYNOTOH-ZYHUDNBSSA-N	-1	3	330.362	-0.093	20	10		EBCDHM
CCN(OC)C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000844066464	584087188	/nfs/dbraw/zinc/08/71/88/584087188.db2.gz	CNRPXGCUJKTOAH-UHFFFAOYSA-N	-1	3	345.377	-0.097	20	10		EBCDHM
CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-]	ZINC000863554353	584373335	/nfs/dbraw/zinc/37/33/35/584373335.db2.gz	XFVJZOIZGKPEEA-SECBINFHSA-N	-1	3	330.362	-0.512	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CNC(=O)C2)c1	ZINC001348021101	843651924	/nfs/dbraw/zinc/65/19/24/843651924.db2.gz	OUVDRAABUKUUBE-QMMMGPOBSA-N	-1	3	327.362	-0.370	20	10		EBCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001269687791	1126110094	/nfs/dbraw/zinc/11/00/94/1126110094.db2.gz	ZVAKNZRZOMHECU-KRWDZBQOSA-N	-1	3	348.355	-0.060	20	10		EBCDHM
Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c([O-])c1O	ZINC000272740406	379600129	/nfs/dbraw/zinc/60/01/29/379600129.db2.gz	IJBAKMSLNOGTSF-UHFFFAOYSA-N	-1	3	346.347	-0.623	20	10		EBCDHM
CC(=O)NCC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000529917424	379950310	/nfs/dbraw/zinc/95/03/10/379950310.db2.gz	ZVAHIBZLNUFEAM-UHFFFAOYSA-N	-1	3	335.360	-0.092	20	10		EBCDHM
CS(=O)(=O)N[C@H]1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1	ZINC000768445868	583314681	/nfs/dbraw/zinc/31/46/81/583314681.db2.gz	ISJSXQPUYIHKMJ-GWCFXTLKSA-N	-1	3	328.390	-0.059	20	10		EBCDHM
CC(=O)C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1	ZINC000808521478	583600817	/nfs/dbraw/zinc/60/08/17/583600817.db2.gz	SODSCRWVLASDOG-UHFFFAOYSA-N	-1	3	335.359	-0.666	20	10		EBCDHM
CN(C)C[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000816617915	583718315	/nfs/dbraw/zinc/71/83/15/583718315.db2.gz	LIPBAUVZYRNHIU-SNVBAGLBSA-N	-1	3	331.394	-0.584	20	10		EBCDHM
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000388337576	803774610	/nfs/dbraw/zinc/77/46/10/803774610.db2.gz	GDTFVFBJKOZICW-VIFPVBQESA-N	-1	3	329.378	-0.257	20	10		EBCDHM
[NH3+]CCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001219870509	810888128	/nfs/dbraw/zinc/88/81/28/810888128.db2.gz	HMDUFZXITYVZPQ-RXMQYKEDSA-N	-1	3	334.284	-0.345	20	10		EBCDHM
Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(O)c1[O-]	ZINC001269560255	814725180	/nfs/dbraw/zinc/72/51/80/814725180.db2.gz	PMOSVNWMZMFVLS-VXJOIVPMSA-N	-1	3	344.331	-0.135	20	10		EBCDHM
NC(=O)[C@@H]1CCn2nccc2CN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001269723833	815581436	/nfs/dbraw/zinc/58/14/36/815581436.db2.gz	HACXRYCSBAJZJU-JTQLQIEISA-N	-1	3	332.316	-0.100	20	10		EBCDHM
CN(C)C(=O)CN1CCC2(CN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1	ZINC001269917665	815636958	/nfs/dbraw/zinc/63/69/58/815636958.db2.gz	MFRBQBKYJWOATM-UHFFFAOYSA-N	-1	3	334.376	-0.271	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(CO)(CO)C2)c1	ZINC001301522381	821747736	/nfs/dbraw/zinc/74/77/36/821747736.db2.gz	QHIKLNBTMZTALD-UHFFFAOYSA-N	-1	3	344.389	-0.419	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](O)C[C@H]2CO)c1	ZINC001320700664	838820722	/nfs/dbraw/zinc/82/07/22/838820722.db2.gz	MWZOZWRXTKZUMC-VHSXEESVSA-N	-1	3	330.362	-0.669	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)CC2)c1	ZINC001322590391	839209998	/nfs/dbraw/zinc/20/99/98/839209998.db2.gz	QGXZQPVFJJSTFH-UHFFFAOYSA-N	-1	3	332.403	-0.032	20	10		EBCDHM
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc([O-])cs1	ZINC000732281340	582846974	/nfs/dbraw/zinc/84/69/74/582846974.db2.gz	ZSXLFRPYMBPUHY-QWRGUYRKSA-N	-1	3	346.430	-0.319	20	10		EBCDHM
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c([O-])c1O	ZINC000751537361	583146468	/nfs/dbraw/zinc/14/64/68/583146468.db2.gz	FAAVFMJSFNAVPV-UHFFFAOYSA-N	-1	3	344.389	-0.202	20	10		EBCDHM
COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000778500159	583422544	/nfs/dbraw/zinc/42/25/44/583422544.db2.gz	AWKMOLVNVDRJMJ-JTQLQIEISA-N	-1	3	346.361	-0.319	20	10		EBCDHM
COC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCS(=O)(=O)CC1	ZINC000800683925	583616669	/nfs/dbraw/zinc/61/66/69/583616669.db2.gz	KPPKWEGNOVJBRT-UHFFFAOYSA-N	-1	3	343.357	-0.052	20	10		EBCDHM
COc1ccc(N2CC[C@H](NC(=O)CN3CC(=O)[N-]C3=O)C2)cc1	ZINC000855232108	584256715	/nfs/dbraw/zinc/25/67/15/584256715.db2.gz	QRBYIGASMMLUAT-NSHDSACASA-N	-1	3	332.360	-0.058	20	10		EBCDHM
NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-]	ZINC000854839217	650041096	/nfs/dbraw/zinc/04/10/96/650041096.db2.gz	FKNNMDNBGBUYJI-SECBINFHSA-N	-1	3	329.378	-0.114	20	10		EBCDHM
Cn1nnnc1NC(=O)C12CC(NC(=O)c3cccc(O)c3[O-])(C1)C2	ZINC001269559610	814725244	/nfs/dbraw/zinc/72/52/44/814725244.db2.gz	GXWBULBIDBSVLC-UHFFFAOYSA-N	-1	3	344.331	-0.088	20	10		EBCDHM
Cn1ncnc1C(=O)N1CC2(C1)CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269607996	814746124	/nfs/dbraw/zinc/74/61/24/814746124.db2.gz	PEYKXXUDTRTFMS-UHFFFAOYSA-N	-1	3	343.343	-0.176	20	10		EBCDHM
Cn1ccn2c(CCNC(=O)c3cccc(O)c3[O-])nnc2c1=O	ZINC001155598903	831415214	/nfs/dbraw/zinc/41/52/14/831415214.db2.gz	HWYIBXXSXCNQFL-UHFFFAOYSA-N	-1	3	329.316	-0.188	20	10		EBCDHM
Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c([O-])c1O	ZINC000267578116	379269251	/nfs/dbraw/zinc/26/92/51/379269251.db2.gz	KEDKLYCWVRFQGK-UHFFFAOYSA-N	-1	3	347.371	-0.031	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@]2(O)CCOC2)c1	ZINC000270087212	379432866	/nfs/dbraw/zinc/43/28/66/379432866.db2.gz	HRMBZQYJPSPIRE-ZDUSSCGKSA-N	-1	3	330.362	-0.355	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)NC2=O)c1	ZINC000270786829	379475380	/nfs/dbraw/zinc/47/53/80/379475380.db2.gz	UJVFFECANZUSFK-SECBINFHSA-N	-1	3	341.345	-0.701	20	10		EBCDHM
CN1C(=O)C(=CNc2cccc3c2C(=O)[N-]C3=O)C(=O)N(C)C1=O	ZINC000025351785	582651764	/nfs/dbraw/zinc/65/17/64/582651764.db2.gz	OFGCGUMICDIZEG-UHFFFAOYSA-N	-1	3	328.284	-0.084	20	10		EBCDHM
COC[C@](C)(CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000768454493	583314694	/nfs/dbraw/zinc/31/46/94/583314694.db2.gz	QXKBDHSDEUHMGC-ZDUSSCGKSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CCOC(=O)CN(Cc1ccccc1O)C(=O)CN1CC(=O)[N-]C1=O	ZINC000819696485	583759432	/nfs/dbraw/zinc/75/94/32/583759432.db2.gz	VPRUTKORWKWWBY-UHFFFAOYSA-N	-1	3	349.343	-0.164	20	10		EBCDHM
CN1C(=O)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1=O	ZINC000848047838	584150352	/nfs/dbraw/zinc/15/03/52/584150352.db2.gz	VCTBJMVENBSKOZ-SECBINFHSA-N	-1	3	341.345	-0.749	20	10		EBCDHM
Cn1cnc([C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C(N)=O)c1	ZINC001269723867	815580996	/nfs/dbraw/zinc/58/09/96/815580996.db2.gz	HSPVDKDYWAAUAU-NXEZZACHSA-N	-1	3	346.343	-0.122	20	10		EBCDHM
CN(C)C(=O)CNC(=O)C12CC(NC(=O)c3cccc(O)c3[O-])(C1)C2	ZINC001269559534	814725042	/nfs/dbraw/zinc/72/50/42/814725042.db2.gz	FFOFMNQOCGCTLT-UHFFFAOYSA-N	-1	3	347.371	-0.045	20	10		EBCDHM
C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1cccc(O)c1[O-]	ZINC001269559926	814725432	/nfs/dbraw/zinc/72/54/32/814725432.db2.gz	LWNUAKYEXDEHIF-MRVPVSSYSA-N	-1	3	331.332	-0.125	20	10		EBCDHM
CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21	ZINC001269607884	814746407	/nfs/dbraw/zinc/74/64/07/814746407.db2.gz	MAGMYNPLTJHOBR-JSGCOSHPSA-N	-1	3	349.387	-0.289	20	10		EBCDHM
NC(=O)C(=O)NCCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC001089862100	816928637	/nfs/dbraw/zinc/92/86/37/816928637.db2.gz	NDAFETDWLUUDPU-UHFFFAOYSA-N	-1	3	335.320	-0.177	20	10		EBCDHM
CC(=O)NCc1nnc2n1CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214220	830458092	/nfs/dbraw/zinc/45/80/92/830458092.db2.gz	QWRFUORDRRWIOF-UHFFFAOYSA-N	-1	3	331.332	-0.019	20	10		EBCDHM
O=C(NCCCN1CCS(=O)(=O)CC1)c1cc(O)c([O-])c(O)c1	ZINC001148590391	830514241	/nfs/dbraw/zinc/51/42/41/830514241.db2.gz	JGSYWJCIZQLVPJ-UHFFFAOYSA-N	-1	3	344.389	-0.346	20	10		EBCDHM
CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001176385255	832671470	/nfs/dbraw/zinc/67/14/70/832671470.db2.gz	KWJYUKGARYSJJF-GFCCVEGCSA-N	-1	3	346.343	-0.133	20	10		EBCDHM
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(O)c1[O-]	ZINC001321160381	838925959	/nfs/dbraw/zinc/92/59/59/838925959.db2.gz	YIGGHQADPAEFGR-VIFPVBQESA-N	-1	3	342.373	-0.527	20	10		EBCDHM
C[C@H]1C(=O)NCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271355317	379518749	/nfs/dbraw/zinc/51/87/49/379518749.db2.gz	XUXFGBOVCIYBIJ-QMMMGPOBSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)O	ZINC000274553075	379702468	/nfs/dbraw/zinc/70/24/68/379702468.db2.gz	IFBCZKSFIYCKSP-RDDDGLTNSA-N	-1	3	346.361	-0.584	20	10		EBCDHM
CN(C)C(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055285245	379859403	/nfs/dbraw/zinc/85/94/03/379859403.db2.gz	SIEOGIWCSDRWKM-UHFFFAOYSA-N	-1	3	329.378	-0.028	20	10		EBCDHM
C[C@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCS(=O)(=O)CC1	ZINC000732285840	582847443	/nfs/dbraw/zinc/84/74/43/582847443.db2.gz	MVXMNLKNJZBHAO-QMMMGPOBSA-N	-1	3	332.403	-0.171	20	10		EBCDHM
C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000770022253	583331883	/nfs/dbraw/zinc/33/18/83/583331883.db2.gz	BUKNIGOMGFKMMQ-GXSJLCMTSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(CC(N)=O)C2)c1	ZINC000794281530	583578552	/nfs/dbraw/zinc/57/85/52/583578552.db2.gz	QUEOZQLSQXGGGG-UHFFFAOYSA-N	-1	3	327.362	-0.289	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2COCCOC2)c1	ZINC000816920229	583722907	/nfs/dbraw/zinc/72/29/07/583722907.db2.gz	LDDOYQLBYBVWPT-UHFFFAOYSA-N	-1	3	330.362	-0.091	20	10		EBCDHM
CCOC(=O)CN(CC(=O)N1CCNC(=O)C1)Cc1ccccc1[O-]	ZINC000823581862	583834525	/nfs/dbraw/zinc/83/45/25/583834525.db2.gz	RZFVAUGYFSYWGL-UHFFFAOYSA-N	-1	3	349.387	-0.284	20	10		EBCDHM
CO[C@](C)(CO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000848268211	584155026	/nfs/dbraw/zinc/15/50/26/584155026.db2.gz	YPOJFSAOOUIMEH-ZDUSSCGKSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(N)n[nH]2)c1	ZINC000854517998	584242040	/nfs/dbraw/zinc/24/20/40/584242040.db2.gz	IZIIPJGFNMLTRF-UHFFFAOYSA-N	-1	3	340.365	-0.564	20	10		EBCDHM
CN1CCN(c2ccc(CNC(=O)CN3CC(=O)[N-]C3=O)cc2)CC1	ZINC000881851375	584577772	/nfs/dbraw/zinc/57/77/72/584577772.db2.gz	JJCATKDGNLZJLQ-UHFFFAOYSA-N	-1	3	345.403	-0.394	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)CC2)c1	ZINC001115981329	826592707	/nfs/dbraw/zinc/59/27/07/826592707.db2.gz	JOCBYQJSJJJWPJ-UHFFFAOYSA-N	-1	3	348.402	-0.366	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(CO)COC2)c1	ZINC001323317888	839411702	/nfs/dbraw/zinc/41/17/02/839411702.db2.gz	BFRXFSRDXKNXMH-UHFFFAOYSA-N	-1	3	330.362	-0.498	20	10		EBCDHM
CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cc(F)ccc1[O-])C2	ZINC000276075190	379808558	/nfs/dbraw/zinc/80/85/58/379808558.db2.gz	ALVXUIHEXSATRB-UHFFFAOYSA-N	-1	3	349.366	-0.007	20	10		EBCDHM
CS(=O)(=O)N[C@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1	ZINC000768445869	583314522	/nfs/dbraw/zinc/31/45/22/583314522.db2.gz	ISJSXQPUYIHKMJ-GXFFZTMASA-N	-1	3	328.390	-0.059	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCn2ccnn2)c1	ZINC000782831714	583474339	/nfs/dbraw/zinc/47/43/39/583474339.db2.gz	XJMQKYDNVZMTJK-UHFFFAOYSA-N	-1	3	325.350	-0.215	20	10		EBCDHM
COCCN1C(=O)C(=CNNc2ncccc2F)C(=O)[N-]C1=S	ZINC000794696696	583584880	/nfs/dbraw/zinc/58/48/80/583584880.db2.gz	ATVLNPHEKMCFKY-BQYQJAHWSA-N	-1	3	339.352	-0.089	20	10		EBCDHM
CN(C)C[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000816617914	583718352	/nfs/dbraw/zinc/71/83/52/583718352.db2.gz	LIPBAUVZYRNHIU-JTQLQIEISA-N	-1	3	331.394	-0.584	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnc3nc[nH]n32)c1	ZINC000816655588	583718780	/nfs/dbraw/zinc/71/87/80/583718780.db2.gz	KMPIIAZXQVZKRM-UHFFFAOYSA-N	-1	3	337.321	-0.218	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]c3ncnn23)c1	ZINC000816655588	583718781	/nfs/dbraw/zinc/71/87/81/583718781.db2.gz	KMPIIAZXQVZKRM-UHFFFAOYSA-N	-1	3	337.321	-0.218	20	10		EBCDHM
CN(C)c1ccc([C@H](N)CNC(=O)c2cnc([O-])n(C)c2=O)cc1	ZINC000832267519	583997120	/nfs/dbraw/zinc/99/71/20/583997120.db2.gz	UKMBLKFJAQRAJK-CYBMUJFWSA-N	-1	3	331.376	-0.018	20	10		EBCDHM
CNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1	ZINC000846078876	584120613	/nfs/dbraw/zinc/12/06/13/584120613.db2.gz	FZWYNHPSTSWWRQ-UHFFFAOYSA-N	-1	3	329.378	-0.372	20	10		EBCDHM
C[C@H](CNC(=O)C(=O)NCc1cc(Cl)ccc1[O-])S(N)(=O)=O	ZINC000846120657	584121265	/nfs/dbraw/zinc/12/12/65/584121265.db2.gz	CSRPPOKNORLEBS-SSDOTTSWSA-N	-1	3	349.796	-0.545	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(CCO)CC2)c1	ZINC000919811536	650305553	/nfs/dbraw/zinc/30/55/53/650305553.db2.gz	YFIYNAZNNKEAMG-UHFFFAOYSA-N	-1	3	343.405	-0.486	20	10		EBCDHM
CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3cccc(O)c3[O-])C2)C1	ZINC001269607992	814746201	/nfs/dbraw/zinc/74/62/01/814746201.db2.gz	PAWATIMEAPFGMX-UHFFFAOYSA-N	-1	3	341.389	-0.338	20	10		EBCDHM
CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21	ZINC001269607885	814746572	/nfs/dbraw/zinc/74/65/72/814746572.db2.gz	MAGMYNPLTJHOBR-OCCSQVGLSA-N	-1	3	349.387	-0.289	20	10		EBCDHM
CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001148583896	830511239	/nfs/dbraw/zinc/51/12/39/830511239.db2.gz	GCEFFZKNTKHVBR-MRXNPFEDSA-N	-1	3	349.343	-0.634	20	10		EBCDHM
COC(=O)NC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC001320446998	838771875	/nfs/dbraw/zinc/77/18/75/838771875.db2.gz	HKHPEHKLOMDHNC-UHFFFAOYSA-N	-1	3	343.361	-0.056	20	10		EBCDHM
COC(=O)N1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000269310794	379360694	/nfs/dbraw/zinc/36/06/94/379360694.db2.gz	BPFWZOVNQQHTKC-UHFFFAOYSA-N	-1	3	343.361	-0.056	20	10		EBCDHM
COCCN1C(=O)C(=CNNc2ccc(F)cn2)C(=O)[N-]C1=S	ZINC000731371839	582836568	/nfs/dbraw/zinc/83/65/68/582836568.db2.gz	OXIWNFQABRXOLD-CLFYSBASSA-N	-1	3	339.352	-0.089	20	10		EBCDHM
CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1	ZINC000749025470	583124681	/nfs/dbraw/zinc/12/46/81/583124681.db2.gz	NOBBXPWTHZLDPQ-AWEZNQCLSA-N	-1	3	345.403	-0.395	20	10		EBCDHM
C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000770022258	583331777	/nfs/dbraw/zinc/33/17/77/583331777.db2.gz	BUKNIGOMGFKMMQ-MWLCHTKSSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
Cn1nnnc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000772877542	583366318	/nfs/dbraw/zinc/36/63/18/583366318.db2.gz	QPKQFMUSWRKOAM-UHFFFAOYSA-N	-1	3	340.365	-0.740	20	10		EBCDHM
CN(C)C(=O)c1nnc2n1CCN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001269723748	815580900	/nfs/dbraw/zinc/58/09/00/815580900.db2.gz	DBBDQSPBXHTADD-UHFFFAOYSA-N	-1	3	347.331	-0.247	20	10		EBCDHM
CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148213824	830458105	/nfs/dbraw/zinc/45/81/05/830458105.db2.gz	KIFPUNFKGOEZSF-INIZCTEOSA-N	-1	3	333.344	-0.339	20	10		EBCDHM
CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001148583895	830511443	/nfs/dbraw/zinc/51/14/43/830511443.db2.gz	GCEFFZKNTKHVBR-INIZCTEOSA-N	-1	3	349.343	-0.634	20	10		EBCDHM
CC(=O)NCc1nnc2n1CCN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001148583921	830511686	/nfs/dbraw/zinc/51/16/86/830511686.db2.gz	HNJWKJXLZZDFII-UHFFFAOYSA-N	-1	3	347.331	-0.313	20	10		EBCDHM
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(O)c1[O-]	ZINC001321160380	838926263	/nfs/dbraw/zinc/92/62/63/838926263.db2.gz	YIGGHQADPAEFGR-SECBINFHSA-N	-1	3	342.373	-0.527	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)NC2)c1	ZINC000264269839	379244130	/nfs/dbraw/zinc/24/41/30/379244130.db2.gz	WKXJZUFRZBTHGZ-SECBINFHSA-N	-1	3	327.362	-0.228	20	10		EBCDHM
COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(O)c1[O-]	ZINC000275283777	379748584	/nfs/dbraw/zinc/74/85/84/379748584.db2.gz	NMKYXFRQKFUNAA-JTQLQIEISA-N	-1	3	343.357	-0.182	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)NC2CC2)c1	ZINC000055134905	379858734	/nfs/dbraw/zinc/85/87/34/379858734.db2.gz	KYSJSUBJSABWSB-UHFFFAOYSA-N	-1	3	327.362	-0.228	20	10		EBCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)N(C)C	ZINC000055253818	379861776	/nfs/dbraw/zinc/86/17/76/379861776.db2.gz	FINWCGNBBBLHMD-QMMMGPOBSA-N	-1	3	329.378	-0.030	20	10		EBCDHM
COC[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000748365933	583119597	/nfs/dbraw/zinc/11/95/97/583119597.db2.gz	WPEKADZUINPQQX-ZDUSSCGKSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
Cn1nnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000787854278	583523965	/nfs/dbraw/zinc/52/39/65/583523965.db2.gz	SNLHCVGWIHLOLU-UHFFFAOYSA-N	-1	3	326.338	-0.783	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCn2cnnn2)c1	ZINC000816287954	583716164	/nfs/dbraw/zinc/71/61/64/583716164.db2.gz	WROGGYAXRYKQDK-UHFFFAOYSA-N	-1	3	326.338	-0.820	20	10		EBCDHM
Cc1ccc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c([O-])c1O	ZINC000863554080	584373442	/nfs/dbraw/zinc/37/34/42/584373442.db2.gz	REMQDOQIVHETRY-JTQLQIEISA-N	-1	3	344.389	-0.204	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2COCCO2)c1	ZINC000919816655	650306332	/nfs/dbraw/zinc/30/63/32/650306332.db2.gz	BLLKYWQMNYCWHM-SNVBAGLBSA-N	-1	3	330.362	-0.091	20	10		EBCDHM
COc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)cc(OC)n1	ZINC000973436303	725743704	/nfs/dbraw/zinc/74/37/04/725743704.db2.gz	QAIWIYZGNHYFTN-MGCOHNPYSA-N	-1	3	346.347	-0.092	20	10		EBCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCNC1=O	ZINC001320507650	838781692	/nfs/dbraw/zinc/78/16/92/838781692.db2.gz	SCRRRVGMLBPAKS-SNVBAGLBSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
CN1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1=O	ZINC000263820486	379241060	/nfs/dbraw/zinc/24/10/60/379241060.db2.gz	UOSLUWJIEQHECE-VIFPVBQESA-N	-1	3	327.362	-0.276	20	10		EBCDHM
O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(N2CCOCC2)cc1	ZINC000264780850	379251909	/nfs/dbraw/zinc/25/19/09/379251909.db2.gz	WMBAUFPRPHOILQ-UHFFFAOYSA-N	-1	3	332.360	-0.309	20	10		EBCDHM
Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c([O-])c1O	ZINC000272866945	379612074	/nfs/dbraw/zinc/61/20/74/379612074.db2.gz	VRYHTPOGGBYLSB-UHFFFAOYSA-N	-1	3	328.390	-0.134	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(CO)CCOC2)c1	ZINC000273603110	379656142	/nfs/dbraw/zinc/65/61/42/379656142.db2.gz	SJFJRAVQOPQFHV-CYBMUJFWSA-N	-1	3	330.362	-0.355	20	10		EBCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1CCS(=O)(=O)CC1	ZINC000274929931	379725883	/nfs/dbraw/zinc/72/58/83/379725883.db2.gz	ANDDJKBKODWKCL-VIFPVBQESA-N	-1	3	342.373	-0.527	20	10		EBCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)N(C)C	ZINC000055253822	379861546	/nfs/dbraw/zinc/86/15/46/379861546.db2.gz	FINWCGNBBBLHMD-MRVPVSSYSA-N	-1	3	329.378	-0.030	20	10		EBCDHM
COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc2c(cc1[O-])OCO2	ZINC000276791620	379862396	/nfs/dbraw/zinc/86/23/96/379862396.db2.gz	TUEQJZNBILTJSO-JTQLQIEISA-N	-1	3	343.357	-0.107	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCN2CCOCC2)c1	ZINC000299103953	525220630	/nfs/dbraw/zinc/22/06/30/525220630.db2.gz	VKBJUBSQLDKHMN-UHFFFAOYSA-N	-1	3	343.405	-0.174	20	10		EBCDHM
CN1CCOC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000862970944	584362948	/nfs/dbraw/zinc/36/29/48/584362948.db2.gz	NHZQBFLEHNYRHF-NSHDSACASA-N	-1	3	343.405	-0.176	20	10		EBCDHM
O=C(Cn1cc(F)c(=O)[n-]c1=O)NCCc1cc(O)c(O)cc1O	ZINC001183661649	833299348	/nfs/dbraw/zinc/29/93/48/833299348.db2.gz	DVXHPYOMIXVCME-UHFFFAOYSA-N	-1	3	339.279	-0.436	20	10		EBCDHM
CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148213825	830457573	/nfs/dbraw/zinc/45/75/73/830457573.db2.gz	KIFPUNFKGOEZSF-MRXNPFEDSA-N	-1	3	333.344	-0.339	20	10		EBCDHM
COC[C@H](O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270899258	379485001	/nfs/dbraw/zinc/48/50/01/379485001.db2.gz	ZETFOPOOVXNYMX-SNVBAGLBSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccccc1[O-])C2	ZINC000276080342	379808670	/nfs/dbraw/zinc/80/86/70/379808670.db2.gz	BEDNKGRAUVUHNQ-UHFFFAOYSA-N	-1	3	331.376	-0.146	20	10		EBCDHM
CN1CCN(c2ccc(CN3CC4(C3)NC(=O)[N-]C4=O)cc2)CC1	ZINC000897906659	582713426	/nfs/dbraw/zinc/71/34/26/582713426.db2.gz	WWTFVIFEGJQTLW-UHFFFAOYSA-N	-1	3	329.404	-0.168	20	10		EBCDHM
CCNC(=O)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000754436894	583168511	/nfs/dbraw/zinc/16/85/11/583168511.db2.gz	UMFQHOXTYQCESM-UHFFFAOYSA-N	-1	3	341.389	-0.028	20	10		EBCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nnnn1C	ZINC001336715707	842537531	/nfs/dbraw/zinc/53/75/31/842537531.db2.gz	JRWOKRZBMUXLGC-SSDOTTSWSA-N	-1	3	340.365	-0.222	20	10		EBCDHM
COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc2c(cc1[O-])OCO2	ZINC000276791623	379861827	/nfs/dbraw/zinc/86/18/27/379861827.db2.gz	TUEQJZNBILTJSO-SNVBAGLBSA-N	-1	3	343.357	-0.107	20	10		EBCDHM
COCCN1C(=O)C(=CNNc2ccc(F)cn2)C(=O)[N-]C1=S	ZINC000731371840	582836766	/nfs/dbraw/zinc/83/67/66/582836766.db2.gz	OXIWNFQABRXOLD-VQHVLOKHSA-N	-1	3	339.352	-0.089	20	10		EBCDHM
CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1	ZINC000768445873	583314608	/nfs/dbraw/zinc/31/46/08/583314608.db2.gz	ISJSXQPUYIHKMJ-ZWNOBZJWSA-N	-1	3	328.390	-0.059	20	10		EBCDHM
COC(=O)CN(CC(=O)OC)Cc1cc2c(cc1[O-])OC[C@H]2O	ZINC000768453445	583314671	/nfs/dbraw/zinc/31/46/71/583314671.db2.gz	XLBXUZPBXFLQOY-GFCCVEGCSA-N	-1	3	325.317	-0.034	20	10		EBCDHM
CS(=O)(=O)N1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1	ZINC000768440674	583314709	/nfs/dbraw/zinc/31/47/09/583314709.db2.gz	BCHGFHHEPUNBHR-ZDUSSCGKSA-N	-1	3	328.390	-0.105	20	10		EBCDHM
CNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1	ZINC000768463340	583315370	/nfs/dbraw/zinc/31/53/70/583315370.db2.gz	RPMZTHQXZYNBMS-MFKMUULPSA-N	-1	3	328.390	-0.059	20	10		EBCDHM
Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)c([O-])c1O	ZINC000770490730	583338099	/nfs/dbraw/zinc/33/80/99/583338099.db2.gz	MKSDGZRTIDDDBM-UHFFFAOYSA-N	-1	3	337.376	-0.416	20	10		EBCDHM
CNS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000846057982	584120479	/nfs/dbraw/zinc/12/04/79/584120479.db2.gz	YYYINRAZZHPJFY-UHFFFAOYSA-N	-1	3	329.378	-0.244	20	10		EBCDHM
CO[C@@](C)(CO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000848268210	584155056	/nfs/dbraw/zinc/15/50/56/584155056.db2.gz	YPOJFSAOOUIMEH-CYBMUJFWSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1	ZINC000862818108	584359045	/nfs/dbraw/zinc/35/90/45/584359045.db2.gz	GJEKUSITVJSPLP-XWEPSHTISA-N	-1	3	327.362	-0.243	20	10		EBCDHM
CN(C)C(=O)CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(O)c1[O-]	ZINC001269607515	814746770	/nfs/dbraw/zinc/74/67/70/814746770.db2.gz	CRRRWCKZSBYPBG-TXEJJXNPSA-N	-1	3	349.387	-0.289	20	10		EBCDHM
CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]12	ZINC001269724044	815581078	/nfs/dbraw/zinc/58/10/78/815581078.db2.gz	KGSHFSQCBZOOGB-GZMMTYOYSA-N	-1	3	335.316	-0.282	20	10		EBCDHM
CN1CCN(C(=O)c2cc([O-])[nH]c(=O)c2)C[C@]2(CCCC(=O)N2)C1	ZINC001269919022	815638310	/nfs/dbraw/zinc/63/83/10/815638310.db2.gz	GNQCPEMZEVXECO-INIZCTEOSA-N	-1	3	334.376	-0.081	20	10		EBCDHM
O=C(c1cccc(O)c1[O-])N1CC2(C1)COCC(=O)N2C1COC1	ZINC001269686014	1126110213	/nfs/dbraw/zinc/11/02/13/1126110213.db2.gz	JLCXCECYMKVINB-UHFFFAOYSA-N	-1	3	334.328	-0.450	20	10		EBCDHM
COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(O)c1[O-]	ZINC000275283785	379748063	/nfs/dbraw/zinc/74/80/63/379748063.db2.gz	NMKYXFRQKFUNAA-SNVBAGLBSA-N	-1	3	343.357	-0.182	20	10		EBCDHM
COCC[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000281177166	380009460	/nfs/dbraw/zinc/00/94/60/380009460.db2.gz	CACFNQINZPTKOP-JTQLQIEISA-N	-1	3	332.378	-0.109	20	10		EBCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](CO)O1	ZINC000787474362	583519205	/nfs/dbraw/zinc/51/92/05/583519205.db2.gz	CFWJLPLAKDLZFV-GXSJLCMTSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
COc1ccc(N2CC[C@@H](NC(=O)CN3CC(=O)[N-]C3=O)C2)cc1	ZINC000855232107	584256697	/nfs/dbraw/zinc/25/66/97/584256697.db2.gz	QRBYIGASMMLUAT-LLVKDONJSA-N	-1	3	332.360	-0.058	20	10		EBCDHM
COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)cc1	ZINC000855233877	584256732	/nfs/dbraw/zinc/25/67/32/584256732.db2.gz	OGJCPVKQIFBZDL-MFKMUULPSA-N	-1	3	332.360	-0.012	20	10		EBCDHM
CON(C)C(=O)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000863707459	584375673	/nfs/dbraw/zinc/37/56/73/584375673.db2.gz	ZGMLFSJALPHEIU-MRVPVSSYSA-N	-1	3	345.377	-0.098	20	10		EBCDHM
C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1cccc(O)c1[O-]	ZINC001269559928	814725261	/nfs/dbraw/zinc/72/52/61/814725261.db2.gz	LWNUAKYEXDEHIF-QMMMGPOBSA-N	-1	3	331.332	-0.125	20	10		EBCDHM
Cn1cnnc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001116446619	826619688	/nfs/dbraw/zinc/61/96/88/826619688.db2.gz	WSCYFEXTWNGSAL-UHFFFAOYSA-N	-1	3	339.377	-0.135	20	10		EBCDHM
COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)O	ZINC000274553071	379702557	/nfs/dbraw/zinc/70/25/57/379702557.db2.gz	IFBCZKSFIYCKSP-HQJQHLMTSA-N	-1	3	346.361	-0.584	20	10		EBCDHM
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc([O-])cs1	ZINC000732281339	582847140	/nfs/dbraw/zinc/84/71/40/582847140.db2.gz	ZSXLFRPYMBPUHY-MNOVXSKESA-N	-1	3	346.430	-0.319	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCn2ncnn2)c1	ZINC000754477041	583168873	/nfs/dbraw/zinc/16/88/73/583168873.db2.gz	SLXNQMIJDNNECT-UHFFFAOYSA-N	-1	3	326.338	-0.820	20	10		EBCDHM
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C)c(O)c1[O-]	ZINC000780929037	583452848	/nfs/dbraw/zinc/45/28/48/583452848.db2.gz	ULTUYZPIMGYHMR-NSHDSACASA-N	-1	3	335.360	-0.127	20	10		EBCDHM
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000819696956	583759527	/nfs/dbraw/zinc/75/95/27/583759527.db2.gz	JFNCCPDSYQFKPO-NSHDSACASA-N	-1	3	349.343	-0.118	20	10		EBCDHM
O=C(NCCCN1CCS(=O)(=O)CC1)c1cccc(O)c1[O-]	ZINC001148224631	830458623	/nfs/dbraw/zinc/45/86/23/830458623.db2.gz	RFEKHHKULKZCAU-UHFFFAOYSA-N	-1	3	328.390	-0.052	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1	ZINC001171680888	832571592	/nfs/dbraw/zinc/57/15/92/832571592.db2.gz	SPLWLYUVVDVHMM-NEPJUHHUSA-N	-1	3	330.362	-0.669	20	10		EBCDHM
CS(=O)(=O)N1CCN(CC(=O)NCc2c([O-])cccc2F)CC1	ZINC000928706102	1129619197	/nfs/dbraw/zinc/61/91/97/1129619197.db2.gz	QFXLRNNAEWZVAG-UHFFFAOYSA-N	-1	3	345.396	-0.275	20	10		EBCDHM
COc1ccc(N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1	ZINC000264696321	379253605	/nfs/dbraw/zinc/25/36/05/379253605.db2.gz	AXJAGHRZYDVNJW-UHFFFAOYSA-N	-1	3	332.360	-0.104	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCNC(=O)C2)c1	ZINC000726801259	582621743	/nfs/dbraw/zinc/62/17/43/582621743.db2.gz	WXVICCQOYOBDKT-UHFFFAOYSA-N	-1	3	327.362	-0.274	20	10		EBCDHM
Cn1ncc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000805211996	583232128	/nfs/dbraw/zinc/23/21/28/583232128.db2.gz	JCSQTKWWEQYZHI-UHFFFAOYSA-N	-1	3	325.350	-0.178	20	10		EBCDHM
C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000770022261	583331928	/nfs/dbraw/zinc/33/19/28/583331928.db2.gz	BUKNIGOMGFKMMQ-ONGXEEELSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](CO)O1	ZINC000787474364	583519229	/nfs/dbraw/zinc/51/92/29/583519229.db2.gz	CFWJLPLAKDLZFV-MWLCHTKSSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
CN1C(=O)C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1=O	ZINC000848047841	584150259	/nfs/dbraw/zinc/15/02/59/584150259.db2.gz	VCTBJMVENBSKOZ-VIFPVBQESA-N	-1	3	341.345	-0.749	20	10		EBCDHM
CN(C)S(=O)(=O)NCC(=O)NCc1ccc2cccnc2c1[O-]	ZINC000862026550	584345647	/nfs/dbraw/zinc/34/56/47/584345647.db2.gz	SESQHAYPSNVPDP-UHFFFAOYSA-N	-1	3	338.389	-0.047	20	10		EBCDHM
CN(C)C(=O)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000919809232	650305459	/nfs/dbraw/zinc/30/54/59/650305459.db2.gz	JSWZAABDZFNSER-UHFFFAOYSA-N	-1	3	329.378	-0.076	20	10		EBCDHM
C[NH2+]CCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001220056333	810962917	/nfs/dbraw/zinc/96/29/17/810962917.db2.gz	UPVJMJBDCNVAKG-ZCFIWIBFSA-N	-1	3	348.311	-0.085	20	10		EBCDHM
C[NH2+]CCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001220056332	810963630	/nfs/dbraw/zinc/96/36/30/810963630.db2.gz	UPVJMJBDCNVAKG-LURJTMIESA-N	-1	3	348.311	-0.085	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCNC(=O)CC2)c1	ZINC001318481837	822325587	/nfs/dbraw/zinc/32/55/87/822325587.db2.gz	UFGXCVHZCHNCMR-UHFFFAOYSA-N	-1	3	327.362	-0.274	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NN2CCCNC2=O)c1	ZINC001116507996	826623841	/nfs/dbraw/zinc/62/38/41/826623841.db2.gz	XUWUSQVKWSAVSF-UHFFFAOYSA-N	-1	3	328.350	-0.176	20	10		EBCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2	ZINC001269687793	1126110079	/nfs/dbraw/zinc/11/00/79/1126110079.db2.gz	ZVAKNZRZOMHECU-QGZVFWFLSA-N	-1	3	348.355	-0.060	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC(=O)NC2)c1	ZINC000264269840	379243105	/nfs/dbraw/zinc/24/31/05/379243105.db2.gz	WKXJZUFRZBTHGZ-VIFPVBQESA-N	-1	3	327.362	-0.228	20	10		EBCDHM
COC(=O)[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274189486	379675062	/nfs/dbraw/zinc/67/50/62/379675062.db2.gz	LKLHLZAXYNURCB-SECBINFHSA-N	-1	3	332.334	-0.973	20	10		EBCDHM
CCN(C)C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274825972	379716732	/nfs/dbraw/zinc/71/67/32/379716732.db2.gz	IAVCSPSDWJUERF-UHFFFAOYSA-N	-1	3	329.378	-0.028	20	10		EBCDHM
CCN(CC(=O)NC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000763806012	583265490	/nfs/dbraw/zinc/26/54/90/583265490.db2.gz	OIUXEBNLDJRQFB-UHFFFAOYSA-N	-1	3	329.378	-0.028	20	10		EBCDHM
CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1	ZINC000768463335	583315334	/nfs/dbraw/zinc/31/53/34/583315334.db2.gz	RPMZTHQXZYNBMS-GXFFZTMASA-N	-1	3	328.390	-0.059	20	10		EBCDHM
CCn1ncn(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1=O	ZINC000816736503	583721011	/nfs/dbraw/zinc/72/10/11/583721011.db2.gz	ZTMNZYGXFXQBJL-UHFFFAOYSA-N	-1	3	341.349	-0.474	20	10		EBCDHM
CCn1ncn([N-]C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1=O	ZINC000816736503	583721013	/nfs/dbraw/zinc/72/10/13/583721013.db2.gz	ZTMNZYGXFXQBJL-UHFFFAOYSA-N	-1	3	341.349	-0.474	20	10		EBCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CNC(=O)CN	ZINC000843489229	584080249	/nfs/dbraw/zinc/08/02/49/584080249.db2.gz	JEZXILFUBNXOFR-UHFFFAOYSA-N	-1	3	343.767	-0.378	20	10		EBCDHM
NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000388337575	803773785	/nfs/dbraw/zinc/77/37/85/803773785.db2.gz	GDTFVFBJKOZICW-SECBINFHSA-N	-1	3	329.378	-0.257	20	10		EBCDHM
C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001269724040	815580972	/nfs/dbraw/zinc/58/09/72/815580972.db2.gz	KDSBRDVTSUKCEO-ZETCQYMHSA-N	-1	3	347.331	-0.419	20	10		EBCDHM
CN1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1=O	ZINC000265666613	379257022	/nfs/dbraw/zinc/25/70/22/379257022.db2.gz	CMELGLRORKSXDI-SNVBAGLBSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
CC(=O)c1cc(F)cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[O-]	ZINC000269057421	379341696	/nfs/dbraw/zinc/34/16/96/379341696.db2.gz	ZMEHGGYUYWBRSH-GFCCVEGCSA-N	-1	3	335.335	-0.124	20	10		EBCDHM
COC[C@@H](CCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270429999	379449720	/nfs/dbraw/zinc/44/97/20/379449720.db2.gz	VUCDAGMHYVCJDB-SNVBAGLBSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CNC(=O)NC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1	ZINC000530102612	420926034	/nfs/dbraw/zinc/92/60/34/420926034.db2.gz	HBDMHMPLSLIREW-RISCZKNCSA-N	-1	3	337.376	-0.052	20	10		EBCDHM
C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000770022256	583331623	/nfs/dbraw/zinc/33/16/23/583331623.db2.gz	BUKNIGOMGFKMMQ-KOLCDFICSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(=O)N1	ZINC000857526539	584278707	/nfs/dbraw/zinc/27/87/07/584278707.db2.gz	XRXFHADLVXAXCD-MRVPVSSYSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
C[C@@H](O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000857538930	584278932	/nfs/dbraw/zinc/27/89/32/584278932.db2.gz	KSXACKSBRUCZGL-NOZJJQNGSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCN2CC[C@H](O)C2)c1	ZINC000863831302	584379490	/nfs/dbraw/zinc/37/94/90/584379490.db2.gz	IARGTHJRTNTGNR-NSHDSACASA-N	-1	3	343.405	-0.440	20	10		EBCDHM
CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269608031	814746854	/nfs/dbraw/zinc/74/68/54/814746854.db2.gz	QLWPLUMZDMFCPK-UHFFFAOYSA-N	-1	3	341.389	-0.196	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOCCO)c1	ZINC000272683368	379593891	/nfs/dbraw/zinc/59/38/91/379593891.db2.gz	SYVWKKPMXAVHOD-UHFFFAOYSA-N	-1	3	332.378	-0.108	20	10		EBCDHM
COC(=O)[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273482506	379649177	/nfs/dbraw/zinc/64/91/77/379649177.db2.gz	LKLHLZAXYNURCB-VIFPVBQESA-N	-1	3	332.334	-0.973	20	10		EBCDHM
Cn1nncc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000288541839	380410951	/nfs/dbraw/zinc/41/09/51/380410951.db2.gz	HQWOINRATMNGBG-UHFFFAOYSA-N	-1	3	325.350	-0.178	20	10		EBCDHM
CNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)C1	ZINC000768463343	583315317	/nfs/dbraw/zinc/31/53/17/583315317.db2.gz	RPMZTHQXZYNBMS-ZWNOBZJWSA-N	-1	3	328.390	-0.059	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](O)C[C@H](O)C2)c1	ZINC000769938504	583329754	/nfs/dbraw/zinc/32/97/54/583329754.db2.gz	RLRHGWYSWWUIEM-AOOOYVTPSA-N	-1	3	330.362	-0.669	20	10		EBCDHM
COC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000778500160	583422578	/nfs/dbraw/zinc/42/25/78/583422578.db2.gz	AWKMOLVNVDRJMJ-SNVBAGLBSA-N	-1	3	346.361	-0.319	20	10		EBCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](CO)O1	ZINC000787474365	583519159	/nfs/dbraw/zinc/51/91/59/583519159.db2.gz	CFWJLPLAKDLZFV-ONGXEEELSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)NCCF	ZINC000800598787	583616366	/nfs/dbraw/zinc/61/63/66/583616366.db2.gz	YEZPFMHFXNPEMZ-MRVPVSSYSA-N	-1	3	347.368	-0.032	20	10		EBCDHM
CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(O)c1[O-]	ZINC001269560342	814725539	/nfs/dbraw/zinc/72/55/39/814725539.db2.gz	RLMFPOFKVCXVTO-DYZYQPBXSA-N	-1	3	347.371	-0.093	20	10		EBCDHM
CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(O)c1[O-]	ZINC001269607787	814746081	/nfs/dbraw/zinc/74/60/81/814746081.db2.gz	KJILBMBUASAWEE-AOOOYVTPSA-N	-1	3	341.389	-0.197	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CNC(=O)C2)c1	ZINC001348021100	843651983	/nfs/dbraw/zinc/65/19/83/843651983.db2.gz	OUVDRAABUKUUBE-MRVPVSSYSA-N	-1	3	327.362	-0.370	20	10		EBCDHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCc2ccc(N)cc2)c1	ZINC000237815762	378916385	/nfs/dbraw/zinc/91/63/85/378916385.db2.gz	AXQKEMNIXDUCLX-UHFFFAOYSA-N	-1	3	337.405	-0.361	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC(=O)NC(N)=O)c1	ZINC000268250405	379289133	/nfs/dbraw/zinc/28/91/33/379289133.db2.gz	WWJIHILPPBROMC-UHFFFAOYSA-N	-1	3	344.349	-0.922	20	10		EBCDHM
CC(=O)N1CCN(C(=O)CCNC(=O)c2cccc(O)c2[O-])CC1	ZINC000274966181	379726880	/nfs/dbraw/zinc/72/68/80/379726880.db2.gz	MGCZRYJMFYMEJM-UHFFFAOYSA-N	-1	3	335.360	-0.092	20	10		EBCDHM
Cc1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)c([O-])c1O	ZINC000277668217	379902723	/nfs/dbraw/zinc/90/27/23/379902723.db2.gz	VUHIGURMRTXJBE-UHFFFAOYSA-N	-1	3	331.394	-0.032	20	10		EBCDHM
C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)N1CCS(=O)(=O)CC1	ZINC000732285839	582847474	/nfs/dbraw/zinc/84/74/74/582847474.db2.gz	MVXMNLKNJZBHAO-MRVPVSSYSA-N	-1	3	332.403	-0.171	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(C(N)=O)CCC2)c1	ZINC000770087498	583332254	/nfs/dbraw/zinc/33/22/54/583332254.db2.gz	LMGSYGGOZNEHEQ-UHFFFAOYSA-N	-1	3	327.362	-0.099	20	10		EBCDHM
CCON(C)C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846504879	584127959	/nfs/dbraw/zinc/12/79/59/584127959.db2.gz	VQTHRZIGMDVUON-UHFFFAOYSA-N	-1	3	345.377	-0.097	20	10		EBCDHM
CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc([O-])cs1	ZINC000854383163	584238919	/nfs/dbraw/zinc/23/89/19/584238919.db2.gz	XOKMWKMUORCFSB-SNVBAGLBSA-N	-1	3	342.373	-0.026	20	10		EBCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(=O)N1	ZINC000857526540	584278688	/nfs/dbraw/zinc/27/86/88/584278688.db2.gz	XRXFHADLVXAXCD-QMMMGPOBSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
CN1CCOC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000862970943	584363102	/nfs/dbraw/zinc/36/31/02/584363102.db2.gz	NHZQBFLEHNYRHF-LLVKDONJSA-N	-1	3	343.405	-0.176	20	10		EBCDHM
CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(O)c1[O-]	ZINC000863554354	584373403	/nfs/dbraw/zinc/37/34/03/584373403.db2.gz	XFVJZOIZGKPEEA-VIFPVBQESA-N	-1	3	330.362	-0.512	20	10		EBCDHM
COc1cc(C(=O)N[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc(OC)n1	ZINC001022368681	729485695	/nfs/dbraw/zinc/48/56/95/729485695.db2.gz	XENPYXONXUEHDI-AOOOYVTPSA-N	-1	3	348.363	-0.027	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CNC(=O)O3)c1	ZINC001261777618	812983936	/nfs/dbraw/zinc/98/39/36/812983936.db2.gz	IVVMZMYNZWQBLX-UHFFFAOYSA-N	-1	3	341.345	-0.302	20	10		EBCDHM
C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001269724039	815581541	/nfs/dbraw/zinc/58/15/41/815581541.db2.gz	KDSBRDVTSUKCEO-SSDOTTSWSA-N	-1	3	347.331	-0.419	20	10		EBCDHM
CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(O)c1	ZINC001270069119	815679450	/nfs/dbraw/zinc/67/94/50/815679450.db2.gz	IJXRHGVQSOOZNY-PHIMTYICSA-N	-1	3	335.360	-0.210	20	10		EBCDHM
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148584039	830511284	/nfs/dbraw/zinc/51/12/84/830511284.db2.gz	LJHZTMQBVWNWBF-SECBINFHSA-N	-1	3	338.316	-0.303	20	10		EBCDHM
COC(=O)[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)CCN1C(C)=O	ZINC001148587813	830514362	/nfs/dbraw/zinc/51/43/62/830514362.db2.gz	MQCIBKVLKZOCOJ-SNVBAGLBSA-N	-1	3	338.316	-0.351	20	10		EBCDHM
CN1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1=O	ZINC000263820481	379241269	/nfs/dbraw/zinc/24/12/69/379241269.db2.gz	UOSLUWJIEQHECE-SECBINFHSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
COC[C@@H](O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270898199	379486624	/nfs/dbraw/zinc/48/66/24/379486624.db2.gz	ZETFOPOOVXNYMX-JTQLQIEISA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CCNC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000294129031	380993245	/nfs/dbraw/zinc/99/32/45/380993245.db2.gz	SQAWUKWVPWJYHA-UHFFFAOYSA-N	-1	3	344.393	-0.187	20	10		EBCDHM
CNC(=O)NC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1	ZINC000530102610	420925243	/nfs/dbraw/zinc/92/52/43/420925243.db2.gz	HBDMHMPLSLIREW-FZMZJTMJSA-N	-1	3	337.376	-0.052	20	10		EBCDHM
NC(=O)N[C@H](CO)C(=O)NCc1cc(Br)ccc1[O-]	ZINC000804739708	582534490	/nfs/dbraw/zinc/53/44/90/582534490.db2.gz	PHCNNHSTCPMJPP-MRVPVSSYSA-N	-1	3	332.154	-0.200	20	10		EBCDHM
COC[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000748365930	583119545	/nfs/dbraw/zinc/11/95/45/583119545.db2.gz	WPEKADZUINPQQX-CYBMUJFWSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c([O-])c1O	ZINC000780881451	583452091	/nfs/dbraw/zinc/45/20/91/583452091.db2.gz	CWJLJCYTXAEZDI-UHFFFAOYSA-N	-1	3	343.405	-0.030	20	10		EBCDHM
CCOC(=O)[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000782766923	583473752	/nfs/dbraw/zinc/47/37/52/583473752.db2.gz	HXMJBMHESHUQSW-JTQLQIEISA-N	-1	3	346.361	-0.583	20	10		EBCDHM
O=C(CCNC(=O)c1cccc(O)c1[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000790536946	583544454	/nfs/dbraw/zinc/54/44/54/583544454.db2.gz	BEHWEUMVXJIXCY-VIFPVBQESA-N	-1	3	342.373	-0.479	20	10		EBCDHM
C[C@@H](O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000857538931	584279006	/nfs/dbraw/zinc/27/90/06/584279006.db2.gz	KSXACKSBRUCZGL-RNCFNFMXSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
CN1CCN(c2ccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)CC1	ZINC000881852601	584577823	/nfs/dbraw/zinc/57/78/23/584577823.db2.gz	XFCYSTQBFCLEFP-AWEZNQCLSA-N	-1	3	345.403	-0.347	20	10		EBCDHM
O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000274916425	379723326	/nfs/dbraw/zinc/72/33/26/379723326.db2.gz	WGARBSHRTSMXII-UHFFFAOYSA-N	-1	3	333.344	-0.339	20	10		EBCDHM
O=C(Cn1cnnn1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000279529213	379956726	/nfs/dbraw/zinc/95/67/26/379956726.db2.gz	KYATUCGTIZLVCG-UHFFFAOYSA-N	-1	3	332.320	-0.931	20	10		EBCDHM
COCC[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000281177169	380011969	/nfs/dbraw/zinc/01/19/69/380011969.db2.gz	CACFNQINZPTKOP-SNVBAGLBSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
NC(=O)N[C@@H](CO)C(=O)NCc1cc(Br)ccc1[O-]	ZINC000804739709	582534609	/nfs/dbraw/zinc/53/46/09/582534609.db2.gz	PHCNNHSTCPMJPP-QMMMGPOBSA-N	-1	3	332.154	-0.200	20	10		EBCDHM
CS(=O)(=O)N1CCN(CCNC(=O)c2cc([O-])cs2)CC1	ZINC000732276241	582846701	/nfs/dbraw/zinc/84/67/01/582846701.db2.gz	OLYSNLKDNYVNTR-UHFFFAOYSA-N	-1	3	333.435	-0.239	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2nnc[nH]2)c1	ZINC000748362444	583119309	/nfs/dbraw/zinc/11/93/09/583119309.db2.gz	ZCKSXIGJJMDJMF-UHFFFAOYSA-N	-1	3	325.350	-0.146	20	10		EBCDHM
COCCNC(=O)CN1CCN(C(=O)c2cc([O-])cs2)CC1	ZINC000854316467	584237522	/nfs/dbraw/zinc/23/75/22/584237522.db2.gz	CWHSTLAZPWYPDX-UHFFFAOYSA-N	-1	3	327.406	-0.026	20	10		EBCDHM
CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000854592332	584243894	/nfs/dbraw/zinc/24/38/94/584243894.db2.gz	JGKNMGXLMHQKLG-UHFFFAOYSA-N	-1	3	348.402	-0.019	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCn2cnnc2)c1	ZINC000854738771	584249135	/nfs/dbraw/zinc/24/91/35/584249135.db2.gz	VCHVDDNMNBQMOH-UHFFFAOYSA-N	-1	3	325.350	-0.215	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC(=O)N2)c1	ZINC000855933811	584264636	/nfs/dbraw/zinc/26/46/36/584264636.db2.gz	RCRLBNFSARLQML-VIFPVBQESA-N	-1	3	327.362	-0.228	20	10		EBCDHM
CC(=O)N[C@@H](CC(=O)NCc1ccc2cccnc2c1[O-])C(N)=O	ZINC000862027979	584345610	/nfs/dbraw/zinc/34/56/10/584345610.db2.gz	LSHKIHLSSAMTFA-LBPRGKRZSA-N	-1	3	330.344	-0.063	20	10		EBCDHM
COC(=O)C[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000863016047	584364098	/nfs/dbraw/zinc/36/40/98/584364098.db2.gz	JLYBOGNRCRENIV-SECBINFHSA-N	-1	3	346.361	-0.583	20	10		EBCDHM
NC(=O)[C@H]1CCn2nccc2CN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001269723834	815580958	/nfs/dbraw/zinc/58/09/58/815580958.db2.gz	HACXRYCSBAJZJU-SNVBAGLBSA-N	-1	3	332.316	-0.100	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(S(C)(=O)=O)C2)c1	ZINC001299372706	821685157	/nfs/dbraw/zinc/68/51/57/821685157.db2.gz	OOHDNHSJJASENQ-UHFFFAOYSA-N	-1	3	348.402	-0.367	20	10		EBCDHM
Cn1cc(S(=O)(=O)NCC(=O)NCc2c([O-])cccc2F)cn1	ZINC001178410556	832862948	/nfs/dbraw/zinc/86/29/48/832862948.db2.gz	SPRMGZYEDUTIIW-UHFFFAOYSA-N	-1	3	342.352	-0.141	20	10		EBCDHM
CN1C(=O)CN(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1=O	ZINC001337414884	842612122	/nfs/dbraw/zinc/61/21/22/842612122.db2.gz	SYZAGHBOZUCNKX-UHFFFAOYSA-N	-1	3	342.333	-0.698	20	10		EBCDHM
CN(C)S(=O)(=O)N1CC(NC(=O)NCc2c([O-])cccc2F)C1	ZINC001687212992	1125817675	/nfs/dbraw/zinc/81/76/75/1125817675.db2.gz	RHPJVMIENMNVGZ-UHFFFAOYSA-N	-1	3	346.384	-0.179	20	10		EBCDHM
COc1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000054447022	376162937	/nfs/dbraw/zinc/16/29/37/376162937.db2.gz	UCHSQWUCUZEJIX-ZDUSSCGKSA-N	-1	3	332.360	-0.058	20	10		EBCDHM
CN(C)c1ccc(CNC(=O)N2CC3(C2)NC(=O)[N-]C3=O)cc1F	ZINC000892486267	582580599	/nfs/dbraw/zinc/58/05/99/582580599.db2.gz	TXOPBKCHXXWQRX-UHFFFAOYSA-N	-1	3	335.339	-0.005	20	10		EBCDHM
CO[C@@H]1COC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000838354486	583054160	/nfs/dbraw/zinc/05/41/60/583054160.db2.gz	XIXTYVQRYNOTOH-CMPLNLGQSA-N	-1	3	330.362	-0.093	20	10		EBCDHM
O=C(c1cc([O-])cs1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1	ZINC000768728050	583317262	/nfs/dbraw/zinc/31/72/62/583317262.db2.gz	AQZZVCDVNFIHQV-UHFFFAOYSA-N	-1	3	343.390	-0.282	20	10		EBCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](CO)O1	ZINC000787474363	583519163	/nfs/dbraw/zinc/51/91/63/583519163.db2.gz	CFWJLPLAKDLZFV-KOLCDFICSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
CN(C)c1ccc([C@@H](N)CNC(=O)c2cnc([O-])n(C)c2=O)cc1	ZINC000832267520	583997207	/nfs/dbraw/zinc/99/72/07/583997207.db2.gz	UKMBLKFJAQRAJK-ZDUSSCGKSA-N	-1	3	331.376	-0.018	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1	ZINC000846438676	584126051	/nfs/dbraw/zinc/12/60/51/584126051.db2.gz	GJEKUSITVJSPLP-OTSSQURYSA-N	-1	3	327.362	-0.243	20	10		EBCDHM
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc([O-])cs1	ZINC000854383162	584238882	/nfs/dbraw/zinc/23/88/82/584238882.db2.gz	XOKMWKMUORCFSB-JTQLQIEISA-N	-1	3	342.373	-0.026	20	10		EBCDHM
CC(=O)NCC(=O)NCC(=O)NCc1ccc2cccnc2c1[O-]	ZINC000862028201	584345598	/nfs/dbraw/zinc/34/55/98/584345598.db2.gz	TYPGVYNDHVVYAJ-UHFFFAOYSA-N	-1	3	330.344	-0.191	20	10		EBCDHM
CNC(=O)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC001348022038	843652508	/nfs/dbraw/zinc/65/25/08/843652508.db2.gz	YZZINJOVMAPRSE-VIFPVBQESA-N	-1	3	341.389	-0.028	20	10		EBCDHM
CN(CC(C)(CO)CO)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000272758164	379599602	/nfs/dbraw/zinc/59/96/02/379599602.db2.gz	PQHMDSSLOQCNQU-UHFFFAOYSA-N	-1	3	346.405	-0.173	20	10		EBCDHM
CNC(=O)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000274421432	379691686	/nfs/dbraw/zinc/69/16/86/379691686.db2.gz	YISHDBBSCVBTJE-UHFFFAOYSA-N	-1	3	327.362	-0.418	20	10		EBCDHM
COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)O	ZINC000274553079	379702795	/nfs/dbraw/zinc/70/27/95/379702795.db2.gz	IFBCZKSFIYCKSP-WRWORJQWSA-N	-1	3	346.361	-0.584	20	10		EBCDHM
CNC(=O)CCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000729534546	582697548	/nfs/dbraw/zinc/69/75/48/582697548.db2.gz	ZPMQQEQBBOUFJO-UHFFFAOYSA-N	-1	3	329.378	-0.028	20	10		EBCDHM
COC(=O)[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000763258089	583258441	/nfs/dbraw/zinc/25/84/41/583258441.db2.gz	TYBLSLOWHNOJOH-JTQLQIEISA-N	-1	3	332.334	-0.973	20	10		EBCDHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccc(O)c(O)c2)c1	ZINC000768914406	583319044	/nfs/dbraw/zinc/31/90/44/583319044.db2.gz	PUYAIHOURQZHBB-UHFFFAOYSA-N	-1	3	340.361	-0.574	20	10		EBCDHM
Cn1nnnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000788602006	583532080	/nfs/dbraw/zinc/53/20/80/583532080.db2.gz	KYYPBIPOSAKIBI-UHFFFAOYSA-N	-1	3	326.338	-0.783	20	10		EBCDHM
C[C@@H](CNC(=O)C(=O)NCc1cc(Cl)ccc1[O-])S(N)(=O)=O	ZINC000846120658	584121263	/nfs/dbraw/zinc/12/12/63/584121263.db2.gz	CSRPPOKNORLEBS-ZETCQYMHSA-N	-1	3	349.796	-0.545	20	10		EBCDHM
C[C@H](O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000857538932	584278955	/nfs/dbraw/zinc/27/89/55/584278955.db2.gz	KSXACKSBRUCZGL-TVQRCGJNSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
Cc1ccc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c([O-])c1O	ZINC000863554081	584373456	/nfs/dbraw/zinc/37/34/56/584373456.db2.gz	REMQDOQIVHETRY-SNVBAGLBSA-N	-1	3	344.389	-0.204	20	10		EBCDHM
CN(C)C(=O)CN1CCC12CN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001270070100	815679702	/nfs/dbraw/zinc/67/97/02/815679702.db2.gz	VJQYJABYLCGGPA-UHFFFAOYSA-N	-1	3	335.360	-0.208	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(NC3COC3)C2)c1	ZINC001304208951	821763219	/nfs/dbraw/zinc/76/32/19/821763219.db2.gz	RJJQEWUSWLTGGK-UHFFFAOYSA-N	-1	3	341.389	-0.424	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)N2CCCO2)c1	ZINC001118876712	827014545	/nfs/dbraw/zinc/01/45/45/827014545.db2.gz	TYMXTUUNUWANOW-UHFFFAOYSA-N	-1	3	343.361	-0.343	20	10		EBCDHM
Cn1[n-]c(CNCCNC(=O)c2ccc(N=NC(N)=O)cc2)nc1=O	ZINC001153047346	831203798	/nfs/dbraw/zinc/20/37/98/831203798.db2.gz	BLPNICIEMMTFTH-UHFFFAOYSA-N	-1	3	346.351	-0.210	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](O)C[C@H]2CO)c1	ZINC001321386974	838978074	/nfs/dbraw/zinc/97/80/74/838978074.db2.gz	MWZOZWRXTKZUMC-UWVGGRQHSA-N	-1	3	330.362	-0.669	20	10		EBCDHM
CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1[O-]	ZINC000109771181	376606880	/nfs/dbraw/zinc/60/68/80/376606880.db2.gz	LFCMHXKURYDTMN-UHFFFAOYSA-N	-1	3	332.360	-0.314	20	10		EBCDHM
CN1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1=O	ZINC000265666609	379257768	/nfs/dbraw/zinc/25/77/68/379257768.db2.gz	CMELGLRORKSXDI-JTQLQIEISA-N	-1	3	327.362	-0.276	20	10		EBCDHM
O=C(NCc1ccc2cccnc2c1[O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC000862026510	584345651	/nfs/dbraw/zinc/34/56/51/584345651.db2.gz	QTTQPIUPUYRNFO-XJKCOSOUSA-N	-1	3	330.340	-0.031	20	10		EBCDHM
Cc1ccc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([O-])c1O	ZINC000863545256	584372688	/nfs/dbraw/zinc/37/26/88/584372688.db2.gz	MSYPCRXYQLROCP-UHFFFAOYSA-N	-1	3	329.378	-0.373	20	10		EBCDHM
CON(C)C(=O)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000863629035	584374710	/nfs/dbraw/zinc/37/47/10/584374710.db2.gz	ZGMLFSJALPHEIU-QMMMGPOBSA-N	-1	3	345.377	-0.098	20	10		EBCDHM
CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269560642	814725139	/nfs/dbraw/zinc/72/51/39/814725139.db2.gz	YCQAOLYNLALMAY-BMLIUANNSA-N	-1	3	347.371	-0.236	20	10		EBCDHM
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc([O-])cs1	ZINC000732281338	582847101	/nfs/dbraw/zinc/84/71/01/582847101.db2.gz	ZSXLFRPYMBPUHY-GHMZBOCLSA-N	-1	3	346.430	-0.319	20	10		EBCDHM
CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1	ZINC000768463331	583315154	/nfs/dbraw/zinc/31/51/54/583315154.db2.gz	RPMZTHQXZYNBMS-GWCFXTLKSA-N	-1	3	328.390	-0.059	20	10		EBCDHM
Cn1cnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000768816924	583318185	/nfs/dbraw/zinc/31/81/85/583318185.db2.gz	PKAPRUHKVDPZBQ-UHFFFAOYSA-N	-1	3	325.350	-0.178	20	10		EBCDHM
CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000776336508	583403300	/nfs/dbraw/zinc/40/33/00/583403300.db2.gz	RZMLDNXTMATVEE-UHFFFAOYSA-N	-1	3	335.360	-0.093	20	10		EBCDHM
CCOC(=O)[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000782766925	583473790	/nfs/dbraw/zinc/47/37/90/583473790.db2.gz	HXMJBMHESHUQSW-SNVBAGLBSA-N	-1	3	346.361	-0.583	20	10		EBCDHM
COc1cccc([O-])c1CN1CCN(C(=O)Cn2cnnn2)CC1	ZINC000809734210	583680259	/nfs/dbraw/zinc/68/02/59/583680259.db2.gz	YMSJXTPTJLLGMQ-UHFFFAOYSA-N	-1	3	332.364	-0.268	20	10		EBCDHM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21	ZINC000855958805	584265367	/nfs/dbraw/zinc/26/53/67/584265367.db2.gz	MPPQDXIXFFFDFV-WCQGTBRESA-N	-1	3	327.358	-0.018	20	10		EBCDHM
CON(C)C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000857542541	584278862	/nfs/dbraw/zinc/27/88/62/584278862.db2.gz	NITDDVAQAVJCIR-UHFFFAOYSA-N	-1	3	331.350	-0.487	20	10		EBCDHM
COC(=O)C[C@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000863016048	584364357	/nfs/dbraw/zinc/36/43/57/584364357.db2.gz	JLYBOGNRCRENIV-VIFPVBQESA-N	-1	3	346.361	-0.583	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCN2CC[C@@H](O)C2)c1	ZINC000863320943	584367389	/nfs/dbraw/zinc/36/73/89/584367389.db2.gz	IARGTHJRTNTGNR-LLVKDONJSA-N	-1	3	343.405	-0.440	20	10		EBCDHM
CN(C)C(=O)CNC(=O)[C@@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269560650	814724968	/nfs/dbraw/zinc/72/49/68/814724968.db2.gz	YHJCDYOJHFIOSQ-NSHDSACASA-N	-1	3	347.371	-0.236	20	10		EBCDHM
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148584040	830512698	/nfs/dbraw/zinc/51/26/98/830512698.db2.gz	LJHZTMQBVWNWBF-VIFPVBQESA-N	-1	3	338.316	-0.303	20	10		EBCDHM
COC(=O)[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)CCN1C(C)=O	ZINC001148587810	830514417	/nfs/dbraw/zinc/51/44/17/830514417.db2.gz	MQCIBKVLKZOCOJ-JTQLQIEISA-N	-1	3	338.316	-0.351	20	10		EBCDHM
CN1CCn2c(CCNC(=O)c3cccc(O)c3[O-])nnc2C1=O	ZINC001176816521	832690790	/nfs/dbraw/zinc/69/07/90/832690790.db2.gz	LSEYSRQEWVERAE-UHFFFAOYSA-N	-1	3	331.332	-0.253	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCn2cncn2)c1	ZINC000263810582	379242077	/nfs/dbraw/zinc/24/20/77/379242077.db2.gz	QPABBGSHCHUHMZ-UHFFFAOYSA-N	-1	3	325.350	-0.215	20	10		EBCDHM
CC(=O)c1cc(F)cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1[O-]	ZINC000269057423	379340609	/nfs/dbraw/zinc/34/06/09/379340609.db2.gz	ZMEHGGYUYWBRSH-LBPRGKRZSA-N	-1	3	335.335	-0.124	20	10		EBCDHM
Cc1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)c([O-])c1O	ZINC000273003755	379621722	/nfs/dbraw/zinc/62/17/22/379621722.db2.gz	OWTRLILSRFPJRE-UHFFFAOYSA-N	-1	3	334.332	-0.036	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@]2(CO)CCOC2)c1	ZINC000273603112	379656498	/nfs/dbraw/zinc/65/64/98/379656498.db2.gz	SJFJRAVQOPQFHV-ZDUSSCGKSA-N	-1	3	330.362	-0.355	20	10		EBCDHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1CCS(=O)(=O)CC1	ZINC000274929930	379725419	/nfs/dbraw/zinc/72/54/19/379725419.db2.gz	ANDDJKBKODWKCL-SECBINFHSA-N	-1	3	342.373	-0.527	20	10		EBCDHM
O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc([O-])cs1	ZINC000732281341	582846920	/nfs/dbraw/zinc/84/69/20/582846920.db2.gz	ZSXLFRPYMBPUHY-WDEREUQCSA-N	-1	3	346.430	-0.319	20	10		EBCDHM
CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)C1	ZINC000768445871	583314596	/nfs/dbraw/zinc/31/45/96/583314596.db2.gz	ISJSXQPUYIHKMJ-MFKMUULPSA-N	-1	3	328.390	-0.059	20	10		EBCDHM
CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790525550	583544469	/nfs/dbraw/zinc/54/44/69/583544469.db2.gz	IDSDIFDVCWSTLB-UHFFFAOYSA-N	-1	3	329.378	-0.338	20	10		EBCDHM
CC(=O)C(=O)COC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000808511733	583669856	/nfs/dbraw/zinc/66/98/56/583669856.db2.gz	JHLRQVKPQJUCSE-UHFFFAOYSA-N	-1	3	331.350	-0.902	20	10		EBCDHM
CC(=O)NCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000844026142	584086266	/nfs/dbraw/zinc/08/62/66/584086266.db2.gz	QUNFOKNYBMJOMS-UHFFFAOYSA-N	-1	3	329.378	-0.028	20	10		EBCDHM
COCC1(O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857523015	584278461	/nfs/dbraw/zinc/27/84/61/584278461.db2.gz	VITCRNWVBKAOEU-UHFFFAOYSA-N	-1	3	330.362	-0.403	20	10		EBCDHM
CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269560649	814725011	/nfs/dbraw/zinc/72/50/11/814725011.db2.gz	YHJCDYOJHFIOSQ-LLVKDONJSA-N	-1	3	347.371	-0.236	20	10		EBCDHM
Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269560395	814725455	/nfs/dbraw/zinc/72/54/55/814725455.db2.gz	SXWBUCXKVKILIR-SECBINFHSA-N	-1	3	344.331	-0.278	20	10		EBCDHM
Cn1ncnc1C(=O)N1CCC12CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269607733	814746248	/nfs/dbraw/zinc/74/62/48/814746248.db2.gz	IBEJFMVXPUKQTQ-UHFFFAOYSA-N	-1	3	343.343	-0.033	20	10		EBCDHM
CN1CCN(C(=O)c2cc([O-])[nH]c(=O)c2)C[C@@]2(CCCC(=O)N2)C1	ZINC001269919023	815638023	/nfs/dbraw/zinc/63/80/23/815638023.db2.gz	GNQCPEMZEVXECO-MRXNPFEDSA-N	-1	3	334.376	-0.081	20	10		EBCDHM
COCCNC(=O)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC001290299643	820459883	/nfs/dbraw/zinc/45/98/83/820459883.db2.gz	XHOQAYGDIXNWIO-UHFFFAOYSA-N	-1	3	337.376	-0.382	20	10		EBCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nnnn1C	ZINC001336715709	842538500	/nfs/dbraw/zinc/53/85/00/842538500.db2.gz	JRWOKRZBMUXLGC-ZETCQYMHSA-N	-1	3	340.365	-0.222	20	10		EBCDHM
O=C(c1cccc(O)c1[O-])N1CC2(C1)CN(C1COC1)C(=O)CO2	ZINC001269687139	1126110050	/nfs/dbraw/zinc/11/00/50/1126110050.db2.gz	ULQGAEINNLYIFF-UHFFFAOYSA-N	-1	3	334.328	-0.450	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@]2(O)CCOC2)c1	ZINC000270087211	379433469	/nfs/dbraw/zinc/43/34/69/379433469.db2.gz	HRMBZQYJPSPIRE-CYBMUJFWSA-N	-1	3	330.362	-0.355	20	10		EBCDHM
C[C@@H]1C(=O)NCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271355315	379518579	/nfs/dbraw/zinc/51/85/79/379518579.db2.gz	XUXFGBOVCIYBIJ-MRVPVSSYSA-N	-1	3	327.362	-0.276	20	10		EBCDHM
COC(=O)[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000763280690	583259336	/nfs/dbraw/zinc/25/93/36/583259336.db2.gz	SSKLGXRUMYJXDT-ZDUSSCGKSA-N	-1	3	346.361	-0.583	20	10		EBCDHM
COC(=O)CN(CC(=O)OC)Cc1cc2c(cc1[O-])OC[C@@H]2O	ZINC000768453446	583314643	/nfs/dbraw/zinc/31/46/43/583314643.db2.gz	XLBXUZPBXFLQOY-LBPRGKRZSA-N	-1	3	325.317	-0.034	20	10		EBCDHM
CN1C(=O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1=O	ZINC000774293529	583382498	/nfs/dbraw/zinc/38/24/98/583382498.db2.gz	SJGQEWPCOAADKE-UHFFFAOYSA-N	-1	3	341.345	-0.796	20	10		EBCDHM
O=C(NCCS(=O)(=O)N1CCOCC1)c1cccc(O)c1[O-]	ZINC000790609807	583544616	/nfs/dbraw/zinc/54/46/16/583544616.db2.gz	PMJQMCNVHMYCGM-UHFFFAOYSA-N	-1	3	330.362	-0.510	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(N)=O)CCOC2)c1	ZINC000848318168	584155542	/nfs/dbraw/zinc/15/55/42/584155542.db2.gz	NMXXHAZXKNBFQA-CYBMUJFWSA-N	-1	3	343.361	-0.862	20	10		EBCDHM
[NH3+]CCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001219870510	810887252	/nfs/dbraw/zinc/88/72/52/810887252.db2.gz	HMDUFZXITYVZPQ-YFKPBYRVSA-N	-1	3	334.284	-0.345	20	10		EBCDHM
COC[C@@H](C(N)=O)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001261249406	812886112	/nfs/dbraw/zinc/88/61/12/812886112.db2.gz	NALAWYJPNOVMCM-JTQLQIEISA-N	-1	3	345.377	-0.664	20	10		EBCDHM
CN(C)C(=O)CN1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H](C1)O2	ZINC001269607533	814746286	/nfs/dbraw/zinc/74/62/86/814746286.db2.gz	DJZMGSRIMQNJEE-TXEJJXNPSA-N	-1	3	349.387	-0.289	20	10		EBCDHM
COC[C@H](CCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270429997	379449927	/nfs/dbraw/zinc/44/99/27/379449927.db2.gz	VUCDAGMHYVCJDB-JTQLQIEISA-N	-1	3	332.378	-0.109	20	10		EBCDHM
O=C(C(=O)N1CCN(Cc2ccccc2[O-])CC1)N1CCOCC1	ZINC000271242014	379510036	/nfs/dbraw/zinc/51/00/36/379510036.db2.gz	FFVKDOGQEKCFFJ-UHFFFAOYSA-N	-1	3	333.388	-0.105	20	10		EBCDHM
O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000274909777	379723112	/nfs/dbraw/zinc/72/31/12/379723112.db2.gz	SYIMQEZOACIFCX-UHFFFAOYSA-N	-1	3	349.387	-0.286	20	10		EBCDHM
CO[C@H]1COC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000292172479	380486185	/nfs/dbraw/zinc/48/61/85/380486185.db2.gz	XIXTYVQRYNOTOH-JQWIXIFHSA-N	-1	3	330.362	-0.093	20	10		EBCDHM
CNC(=O)NC[C@@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1	ZINC000530102609	420924738	/nfs/dbraw/zinc/92/47/38/420924738.db2.gz	HBDMHMPLSLIREW-BXUZGUMPSA-N	-1	3	337.376	-0.052	20	10		EBCDHM
Cn1c(N)c(C(=O)COC(=O)c2cc([O-])cs2)c(=O)n(C)c1=O	ZINC000731909207	582842202	/nfs/dbraw/zinc/84/22/02/582842202.db2.gz	CLIAQTUEHXKVMC-UHFFFAOYSA-N	-1	3	339.329	-0.527	20	10		EBCDHM
CN(C)c1ccc([C@@H](N)CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000843298356	584075363	/nfs/dbraw/zinc/07/53/63/584075363.db2.gz	MOHHEAPZMGCNKG-AWEZNQCLSA-N	-1	3	345.403	-0.191	20	10		EBCDHM
COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846435004	584125760	/nfs/dbraw/zinc/12/57/60/584125760.db2.gz	PZNLUCSXJWDERK-WDEREUQCSA-N	-1	3	344.389	-0.015	20	10		EBCDHM
COC(=O)COCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000862952791	584362751	/nfs/dbraw/zinc/36/27/51/584362751.db2.gz	HMRGOJGAWPYUHA-UHFFFAOYSA-N	-1	3	346.361	-0.317	20	10		EBCDHM
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cn[n-]n1	ZINC000918337217	650289106	/nfs/dbraw/zinc/28/91/06/650289106.db2.gz	GWFZRIAKZKPUEJ-UHFFFAOYSA-N	-1	3	335.389	-0.031	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000919809805	650305299	/nfs/dbraw/zinc/30/52/99/650305299.db2.gz	KRSPZQVBSKAPDX-VIFPVBQESA-N	-1	3	348.402	-0.319	20	10		EBCDHM
COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)O	ZINC000274553066	379702657	/nfs/dbraw/zinc/70/26/57/379702657.db2.gz	IFBCZKSFIYCKSP-CPCISQLKSA-N	-1	3	346.361	-0.584	20	10		EBCDHM
COC[C@@](C)(CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000768454492	583314508	/nfs/dbraw/zinc/31/45/08/583314508.db2.gz	QXKBDHSDEUHMGC-CYBMUJFWSA-N	-1	3	332.378	-0.109	20	10		EBCDHM
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C)c(O)c1[O-]	ZINC000780929036	583452806	/nfs/dbraw/zinc/45/28/06/583452806.db2.gz	ULTUYZPIMGYHMR-LLVKDONJSA-N	-1	3	335.360	-0.127	20	10		EBCDHM
COC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000857530162	584278720	/nfs/dbraw/zinc/27/87/20/584278720.db2.gz	CTPZLGTXBSKJDB-UHFFFAOYSA-N	-1	3	331.350	-0.151	20	10		EBCDHM
Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001269559413	814725554	/nfs/dbraw/zinc/72/55/54/814725554.db2.gz	CFDRNKIGLGGZJF-ANRSDYALSA-N	-1	3	344.331	-0.278	20	10		EBCDHM
CN(C)C(=O)CN1CC2(C1)CN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001270069563	815679731	/nfs/dbraw/zinc/67/97/31/815679731.db2.gz	NQOXLPZHOWIKMG-UHFFFAOYSA-N	-1	3	335.360	-0.351	20	10		EBCDHM
CNC(=O)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC001348022037	843652226	/nfs/dbraw/zinc/65/22/26/843652226.db2.gz	YZZINJOVMAPRSE-SECBINFHSA-N	-1	3	341.389	-0.028	20	10		EBCDHM
O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(O)c1[O-]	ZINC000276491607	379841422	/nfs/dbraw/zinc/84/14/22/379841422.db2.gz	ASLRECJDTFKIII-GFCCVEGCSA-N	-1	3	349.387	-0.239	20	10		EBCDHM
O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(O)c1[O-]	ZINC000276491610	379842196	/nfs/dbraw/zinc/84/21/96/379842196.db2.gz	ASLRECJDTFKIII-LBPRGKRZSA-N	-1	3	349.387	-0.239	20	10		EBCDHM
COC(=O)[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000763280687	583259078	/nfs/dbraw/zinc/25/90/78/583259078.db2.gz	SSKLGXRUMYJXDT-CYBMUJFWSA-N	-1	3	346.361	-0.583	20	10		EBCDHM
CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(O)c2[O-])CC1	ZINC000790574803	583544763	/nfs/dbraw/zinc/54/47/63/583544763.db2.gz	SSDDDRAHPODZGX-UHFFFAOYSA-N	-1	3	343.405	-0.595	20	10		EBCDHM
O=C(NCCNS(=O)(=O)Cc1ccon1)c1cccc(O)c1[O-]	ZINC000790867673	583547815	/nfs/dbraw/zinc/54/78/15/583547815.db2.gz	ARGJLGPZULUIQV-UHFFFAOYSA-N	-1	3	341.345	-0.065	20	10		EBCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)NCCF	ZINC000800598788	583616296	/nfs/dbraw/zinc/61/62/96/583616296.db2.gz	YEZPFMHFXNPEMZ-QMMMGPOBSA-N	-1	3	347.368	-0.032	20	10		EBCDHM
NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-]	ZINC000854839218	650041086	/nfs/dbraw/zinc/04/10/86/650041086.db2.gz	FKNNMDNBGBUYJI-VIFPVBQESA-N	-1	3	329.378	-0.114	20	10		EBCDHM
COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)cc(OC)n1	ZINC000974298179	725936098	/nfs/dbraw/zinc/93/60/98/725936098.db2.gz	QAIWIYZGNHYFTN-AOOOYVTPSA-N	-1	3	346.347	-0.092	20	10		EBCDHM
CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(O)c1[O-]	ZINC001269560343	814725528	/nfs/dbraw/zinc/72/55/28/814725528.db2.gz	RLMFPOFKVCXVTO-QGHHPUGFSA-N	-1	3	347.371	-0.093	20	10		EBCDHM
CNC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001162812936	832065322	/nfs/dbraw/zinc/06/53/22/832065322.db2.gz	PJHRJVLMAUZBGB-UHFFFAOYSA-N	-1	3	330.366	-0.578	20	10		EBCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCNC1=O	ZINC001320507648	838781413	/nfs/dbraw/zinc/78/14/13/838781413.db2.gz	SCRRRVGMLBPAKS-JTQLQIEISA-N	-1	3	327.362	-0.276	20	10		EBCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1COC[C@H]1O	ZINC000286325034	380298820	/nfs/dbraw/zinc/29/88/20/380298820.db2.gz	ACVAXZNSZKQULQ-ZYHUDNBSSA-N	-1	3	330.362	-0.405	20	10		EBCDHM
CNC(=O)NC[C@H]1CN(Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1	ZINC000530102621	420926012	/nfs/dbraw/zinc/92/60/12/420926012.db2.gz	HBDMHMPLSLIREW-SMDDNHRTSA-N	-1	3	337.376	-0.052	20	10		EBCDHM
COCCN1C(=O)C(=CNNc2ncccc2F)C(=O)[N-]C1=S	ZINC000794696699	583584974	/nfs/dbraw/zinc/58/49/74/583584974.db2.gz	ATVLNPHEKMCFKY-FPLPWBNLSA-N	-1	3	339.352	-0.089	20	10		EBCDHM
CC(CO)(CO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000816760554	583721855	/nfs/dbraw/zinc/72/18/55/583721855.db2.gz	XUVOUFAKPNZIFP-UHFFFAOYSA-N	-1	3	332.378	-0.516	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C(N)=O)CCOC2)c1	ZINC000848318169	584155571	/nfs/dbraw/zinc/15/55/71/584155571.db2.gz	NMXXHAZXKNBFQA-ZDUSSCGKSA-N	-1	3	343.361	-0.862	20	10		EBCDHM
C[C@H](O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000857538933	584278962	/nfs/dbraw/zinc/27/89/62/584278962.db2.gz	KSXACKSBRUCZGL-ZANVPECISA-N	-1	3	344.389	-0.015	20	10		EBCDHM
CN(C)S(=O)(=O)N1CC(NCc2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000858311632	584286390	/nfs/dbraw/zinc/28/63/90/584286390.db2.gz	KDJBKYUBXUJNDK-UHFFFAOYSA-N	-1	3	330.366	-0.119	20	10		EBCDHM
COCCNC(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000919809659	650304960	/nfs/dbraw/zinc/30/49/60/650304960.db2.gz	GITNNZZNOZBOFB-UHFFFAOYSA-N	-1	3	345.377	-0.744	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000919809804	650305383	/nfs/dbraw/zinc/30/53/83/650305383.db2.gz	KRSPZQVBSKAPDX-SECBINFHSA-N	-1	3	348.402	-0.319	20	10		EBCDHM
Cn1nnnc1NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(O)c1[O-]	ZINC001269560253	814725397	/nfs/dbraw/zinc/72/53/97/814725397.db2.gz	PMOSVNWMZMFVLS-GLEZIHRCSA-N	-1	3	344.331	-0.135	20	10		EBCDHM
O=C(NCCOCCN1C(=O)C=CC1=O)c1cc(O)c([O-])c(O)c1	ZINC001148590279	830514397	/nfs/dbraw/zinc/51/43/97/830514397.db2.gz	GPGMPFHHNKOWRD-UHFFFAOYSA-N	-1	3	336.300	-0.525	20	10		EBCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOCCCO)c1	ZINC001346082384	843476937	/nfs/dbraw/zinc/47/69/37/843476937.db2.gz	ANKWPDYLUOXYRD-UHFFFAOYSA-N	-1	3	332.378	-0.108	20	10		EBCDHM