smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC#CCOc1ccc(S(=O)(=O)N[C@H](C(=O)N[O-])C(C)(C)SCc2cccnc2)cc1	ZINC000013537412	562972766	/nfs/dbraw/zinc/97/27/66/562972766.db2.gz	AYPPVQRNMZPQMU-LJQANCHMSA-N	-1	3	463.581	2.348	1	30		JEEFHM
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2F)CC1)[C@H](F)C(=O)N[O-]	ZINC000013587666	562977256	/nfs/dbraw/zinc/97/72/56/562977256.db2.gz	XCOMSYQEWNVKAT-UXPWSPDFSA-N	-1	3	466.529	2.115	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(C)[C@H](CCCNC(=O)N[C@H](C)c2ccccc2)C(=O)N[O-])cc1	ZINC000026176855	563023535	/nfs/dbraw/zinc/02/35/35/563023535.db2.gz	ADWMMWFNGXJINT-OXQOHEQNSA-N	-1	3	478.571	2.030	1	30		JEEFHM
C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N[O-])c1ccccc1	ZINC000026176563	563023579	/nfs/dbraw/zinc/02/35/79/563023579.db2.gz	BISYHYKQVCANKX-RHSMWYFYSA-N	-1	3	468.963	2.333	1	30		JEEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](NCc1ccccc1)C(=O)N[O-]	ZINC000026500168	563029079	/nfs/dbraw/zinc/02/90/79/563029079.db2.gz	WQRBQJFIYOYEEB-DUXKGJEZSA-N	-1	3	456.543	2.108	1	30		JEEFHM
CN(C)c1ccc(C(=O)N[C@@H](CSCCCC(=O)N[O-])C(=O)NCc2ccccc2)cc1	ZINC000026816971	563035482	/nfs/dbraw/zinc/03/54/82/563035482.db2.gz	FWMVZXKHDIAVLA-FQEVSTJZSA-N	-1	3	458.584	2.186	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]([C@H](O)CSc3ccccc3)[C@@H]2C(=O)N[O-])cc1	ZINC000026831744	563036296	/nfs/dbraw/zinc/03/62/96/563036296.db2.gz	ZPNXAVJYHSAOKF-VAMGGRTRSA-N	-1	3	480.608	2.369	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cccc4ccncc43)cc2)[C@H]1C(=O)N[O-]	ZINC000028387816	563063426	/nfs/dbraw/zinc/06/34/26/563063426.db2.gz	GQVOKPKZCNLEIK-JTHBVZDNSA-N	-1	3	471.535	2.223	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000028861970	563083204	/nfs/dbraw/zinc/08/32/04/563083204.db2.gz	XOBSNYRLSVUYKY-UHFFFAOYSA-N	-1	3	466.556	2.385	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)c3ccccc3)C2)cc1	ZINC000028951485	563087233	/nfs/dbraw/zinc/08/72/33/563087233.db2.gz	JQJWNYAMOJOHCE-XMMPIXPASA-N	-1	3	470.547	2.290	1	30		JEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccc(Cl)cc4)CC3)cc2)CCOCC1	ZINC000049035031	563198687	/nfs/dbraw/zinc/19/86/87/563198687.db2.gz	VCKIKUWRRCAZBI-UHFFFAOYSA-N	-1	3	479.986	2.495	1	30		JEEFHM
O=C(N[O-])[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc3ccccc32)cc1	ZINC000013441652	562963400	/nfs/dbraw/zinc/96/34/00/562963400.db2.gz	FYZJGFHMVNBOIV-XMSQKQJNSA-N	-1	3	456.520	2.438	1	30		JEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1	ZINC000013863156	563003257	/nfs/dbraw/zinc/00/32/57/563003257.db2.gz	PLGMXUTUUPGPHY-NSHDSACASA-N	-1	3	458.290	2.442	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]([C@H](O)CSc3ccccc3)[C@@H]2C(=O)N[O-])cc1	ZINC000013864012	563003691	/nfs/dbraw/zinc/00/36/91/563003691.db2.gz	ZPNXAVJYHSAOKF-HSALFYBXSA-N	-1	3	480.608	2.369	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(C)[C@H](CCCNC(=O)N[C@@H](C)c2ccccc2)C(=O)N[O-])cc1	ZINC000026176849	563023574	/nfs/dbraw/zinc/02/35/74/563023574.db2.gz	ADWMMWFNGXJINT-OXJNMPFZSA-N	-1	3	478.571	2.030	1	30		JEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000026379195	563026482	/nfs/dbraw/zinc/02/64/82/563026482.db2.gz	MIAKGRHWWFOBOU-SNVBAGLBSA-N	-1	3	458.836	2.241	1	30		JEEFHM
COc1ccccc1OC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2C(=O)[N-]O)CC1	ZINC000026499161	563028989	/nfs/dbraw/zinc/02/89/89/563028989.db2.gz	AYFOFUUKQJIUFR-UHFFFAOYSA-N	-1	3	466.512	2.064	1	30		JEEFHM
CO[C@]1(C(=O)N[O-])COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1	ZINC000028382893	563063007	/nfs/dbraw/zinc/06/30/07/563063007.db2.gz	UWLVDBFIOGAENY-UYAOXDASSA-N	-1	3	455.916	2.372	1	30		JEEFHM
CC1(C)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882542	563084868	/nfs/dbraw/zinc/08/48/68/563084868.db2.gz	RIALLHAYIICXIC-UHFFFAOYSA-N	-1	3	461.521	2.400	1	30		JEEFHM
CC1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882542	563084870	/nfs/dbraw/zinc/08/48/70/563084870.db2.gz	RIALLHAYIICXIC-UHFFFAOYSA-N	-1	3	461.521	2.400	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)OC(C)(C)C)C2)cc1	ZINC000028951474	563087200	/nfs/dbraw/zinc/08/72/00/563087200.db2.gz	NYRVSWKULSLJMD-QFIPXVFZSA-N	-1	3	466.556	2.385	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)[C@H]1C(=O)N[O-]	ZINC000028973821	563089950	/nfs/dbraw/zinc/08/99/50/563089950.db2.gz	VXAWAFRITDQICI-JTHBVZDNSA-N	-1	3	471.535	2.223	1	30		JEEFHM
C#CCN1C[C@@H](NC(=O)c2ccc(Cn3c4ccccc4nc3C(C)C)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029038042	563090659	/nfs/dbraw/zinc/09/06/59/563090659.db2.gz	BYIUYAJXVDVGFA-RBBKRZOGSA-N	-1	3	459.550	2.377	1	30		JEEFHM
O=C(N[O-])[C@@H](CCCc1ccccc1)CS(=O)(=O)c1ccc(C(=O)c2cc[n+]([O-])cc2)cc1	ZINC000029247543	563099533	/nfs/dbraw/zinc/09/95/33/563099533.db2.gz	SMWGTYPHHCYQHB-NRFANRHFSA-N	-1	3	468.531	2.469	1	30		JEEFHM
COc1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c(O)ccc([O-])c3C2=O)C(C)C)c(OC)c1	ZINC000040410550	563140611	/nfs/dbraw/zinc/14/06/11/563140611.db2.gz	DNYUENVYYHCFTP-OAQYLSRUSA-N	-1	3	461.492	2.424	1	30		JEEFHM
COc1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c([O-])ccc(O)c3C2=O)C(C)C)c(OC)c1	ZINC000040410550	563140612	/nfs/dbraw/zinc/14/06/12/563140612.db2.gz	DNYUENVYYHCFTP-OAQYLSRUSA-N	-1	3	461.492	2.424	1	30		JEEFHM
CCOC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(C)cc1	ZINC000058563972	563207412	/nfs/dbraw/zinc/20/74/12/563207412.db2.gz	UFSFEWQSBSHPQQ-PPCICITCSA-N	-1	3	460.420	2.065	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccc(OC)cc3)CC2)cc1	ZINC000013586047	562976460	/nfs/dbraw/zinc/97/64/60/562976460.db2.gz	QFAMXNMLWJDJPV-UHFFFAOYSA-N	-1	3	472.563	2.411	1	30		JEEFHM
C[C@@H](NC(=O)NCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)NO)c1ccccc1	ZINC000026185428	563024047	/nfs/dbraw/zinc/02/40/47/563024047.db2.gz	NJYAOCXRRHNHBL-TZMCWYRMSA-N	-1	3	474.992	2.394	1	30		JEEFHM
CC(C)C[C@H](C(=O)N[O-])C(=O)N[C@@H](CCc1ccccc1)C(=O)NCCc1ccc(O)cc1	ZINC000027092474	563039612	/nfs/dbraw/zinc/03/96/12/563039612.db2.gz	JUFXBRBJBRYADB-VXKWHMMOSA-N	-1	3	455.555	2.336	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(C(=O)c3ccccc3)CC2)cc1	ZINC000040976250	563162117	/nfs/dbraw/zinc/16/21/17/563162117.db2.gz	WUOWVIUWLFFAMY-UHFFFAOYSA-N	-1	3	456.520	2.043	1	30		JEEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)N[O-]	ZINC000003813615	562928817	/nfs/dbraw/zinc/92/88/17/562928817.db2.gz	IYJLBIPCLHKYKU-YADHBBJMSA-N	-1	3	455.555	2.359	1	30		JEEFHM
O=C(N[O-])[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc(OCCCc2ccccc2)cc1	ZINC000013472410	562965914	/nfs/dbraw/zinc/96/59/14/562965914.db2.gz	GHILZJCYVOTHCU-JOCHJYFZSA-N	-1	3	468.535	2.109	1	30		JEEFHM
Cc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)N[O-])cc1	ZINC000013561011	562975515	/nfs/dbraw/zinc/97/55/15/562975515.db2.gz	ZHCXOELPVFPGHI-PZJWPPBQSA-N	-1	3	452.504	2.123	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)N[O-])C2CCN(C(=O)c3ccccc3)CC2)cc1	ZINC000013586033	562976489	/nfs/dbraw/zinc/97/64/89/562976489.db2.gz	CWGOBWMKFRWKPM-JOCHJYFZSA-N	-1	3	470.547	2.289	1	30		JEEFHM
C#CCN(C)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000013746925	562988303	/nfs/dbraw/zinc/98/83/03/562988303.db2.gz	ZPBITCFLRZHADZ-WDJPJFJCSA-N	-1	3	450.491	2.357	1	30		JEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2ccccc2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579317	563031193	/nfs/dbraw/zinc/03/11/93/563031193.db2.gz	IRWVNSOBGYUYHQ-HBMCJLEFSA-N	-1	3	490.601	2.262	1	30		JEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccncc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026640852	563031597	/nfs/dbraw/zinc/03/15/97/563031597.db2.gz	GIAZVRZDQRZKPP-ZCNNSNEGSA-N	-1	3	491.589	2.321	1	30		JEEFHM
O=C(CCCSC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1)N[O-]	ZINC000026817895	563035557	/nfs/dbraw/zinc/03/55/57/563035557.db2.gz	ZRHGHVHLMRVQNC-KRWDZBQOSA-N	-1	3	460.512	2.028	1	30		JEEFHM
O=C(N[O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1	ZINC000027519673	563044803	/nfs/dbraw/zinc/04/48/03/563044803.db2.gz	BAAHKTZFKMCWLC-SFHVURJKSA-N	-1	3	478.573	2.202	1	30		JEEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1	ZINC000028356795	563061395	/nfs/dbraw/zinc/06/13/95/563061395.db2.gz	LPGGJWIOKRQQAT-IEBWSBKVSA-N	-1	3	476.334	2.372	1	30		JEEFHM
CC#CCN(C)c1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000028861974	563083154	/nfs/dbraw/zinc/08/31/54/563083154.db2.gz	VYJYRILYFYRPCK-UHFFFAOYSA-N	-1	3	479.599	2.443	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)OC(C)(C)C)C2)cc1	ZINC000028951472	563087153	/nfs/dbraw/zinc/08/71/53/563087153.db2.gz	NYRVSWKULSLJMD-JOCHJYFZSA-N	-1	3	466.556	2.385	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973787	563089929	/nfs/dbraw/zinc/08/99/29/563089929.db2.gz	LTVIJEFEZVFIST-UYAOXDASSA-N	-1	3	472.922	2.468	1	30		JEEFHM
[NH3+]CCc1c2ccccc2[nH]c1NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)([O-])[O-]	ZINC000029320693	563100129	/nfs/dbraw/zinc/10/01/29/563100129.db2.gz	GHDFGPQHLSHHMQ-FQEVSTJZSA-N	-1	3	476.420	2.421	1	30		JEEFHM
O=C(N[O-])[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1	ZINC000013441640	562963390	/nfs/dbraw/zinc/96/33/90/562963390.db2.gz	HTWOMTYWAUKKSB-CRAIPNDOSA-N	-1	3	474.457	2.304	1	30		JEEFHM
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013553167	562973239	/nfs/dbraw/zinc/97/32/39/562973239.db2.gz	FPHXOEUJYCDFQF-LAUBAEHRSA-N	-1	3	491.566	2.299	1	30		JEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1	ZINC000013776902	562991069	/nfs/dbraw/zinc/99/10/69/562991069.db2.gz	BOHIPQBVCFMFFK-GCJKJVERSA-N	-1	3	465.554	2.464	1	30		JEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000013840085	563001704	/nfs/dbraw/zinc/00/17/04/563001704.db2.gz	CSBBYUZQQAEEFE-JTQLQIEISA-N	-1	3	458.836	2.241	1	30		JEEFHM
CN(C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1)S(=O)(=O)C(F)(F)F	ZINC000026732089	563034251	/nfs/dbraw/zinc/03/42/51/563034251.db2.gz	LRVIJTRFTUQDKW-CABCVRRESA-N	-1	3	457.515	2.098	1	30		JEEFHM
COc1cc(OC)cc(C(=O)N[C@@H](CSCCCC(=O)N[O-])C(=O)NCc2ccccc2)c1	ZINC000026816660	563035416	/nfs/dbraw/zinc/03/54/16/563035416.db2.gz	XPJWQNMMYQJMNW-FQEVSTJZSA-N	-1	3	475.567	2.137	1	30		JEEFHM
COc1ccc(CCC(=O)N[C@@H](CSCCCC(=O)N[O-])C(=O)NCc2ccccc2)cc1	ZINC000026817385	563035442	/nfs/dbraw/zinc/03/54/42/563035442.db2.gz	YUWLYPZCWRLCMM-NRFANRHFSA-N	-1	3	473.595	2.448	1	30		JEEFHM
CC[C@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)N[O-]	ZINC000028387775	563063372	/nfs/dbraw/zinc/06/33/72/563063372.db2.gz	CUXTVWWELMBPKU-FPOVZHCZSA-N	-1	3	452.504	2.204	1	30		JEEFHM
Cc1c(F)cccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)N[O-])cc1	ZINC000028391988	563063735	/nfs/dbraw/zinc/06/37/35/563063735.db2.gz	NOBVVTLEQRHRBY-PZJWPPBQSA-N	-1	3	452.504	2.123	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cccc4cccnc43)cc2)[C@H]1C(=O)N[O-]	ZINC000028396889	563063848	/nfs/dbraw/zinc/06/38/48/563063848.db2.gz	CSQCYVHPHVXICP-JTHBVZDNSA-N	-1	3	471.535	2.223	1	30		JEEFHM
Cc1ccc(F)cc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@H]2C(=O)N[O-])cc1	ZINC000028973781	563089962	/nfs/dbraw/zinc/08/99/62/563089962.db2.gz	UTAGRFZAWOLQHO-TZIWHRDSSA-N	-1	3	452.504	2.123	1	30		JEEFHM
Cc1ccc(Oc2ccc(N(C[C@H](O)C(=O)N[O-])S(=O)(=O)Cc3ccncc3)cc2)cc1	ZINC000029127790	563095833	/nfs/dbraw/zinc/09/58/33/563095833.db2.gz	SQWGCQTZANCRQT-NRFANRHFSA-N	-1	3	457.508	2.385	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000038360290	563133957	/nfs/dbraw/zinc/13/39/57/563133957.db2.gz	DIUYYSMPEUKBTJ-UHFFFAOYSA-N	-1	3	452.529	2.138	1	30		JEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4Cl)CC3)cc2)CCOCC1	ZINC000049089626	563201992	/nfs/dbraw/zinc/20/19/92/563201992.db2.gz	XFCISDUWYSMJOU-UHFFFAOYSA-N	-1	3	479.986	2.495	1	30		JEEFHM
CCOC(=O)[C@H](N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1)C(C)C	ZINC000058574894	563207619	/nfs/dbraw/zinc/20/76/19/563207619.db2.gz	WSKFCMXRYVHRPP-MEKQCELDSA-N	-1	3	474.447	2.393	1	30		JEEFHM
C=C1C[C@@](Cn2cc(Br)c(=O)[n-]c2=O)(c2ccc(Br)cc2)OC1=O	ZINC000001642824	562922215	/nfs/dbraw/zinc/92/22/15/562922215.db2.gz	HBPZUXCPAVPCAW-MRXNPFEDSA-N	-1	3	456.090	2.460	1	30		JEEFHM
O=C(C[C@@H](Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO	ZINC000013436300	562962428	/nfs/dbraw/zinc/96/24/28/562962428.db2.gz	YKDJPMMXYREXJX-NIDLKEISSA-N	-1	3	498.543	2.362	1	30		JEEFHM
O=C(C[C@@H](Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO	ZINC000013436300	562962429	/nfs/dbraw/zinc/96/24/29/562962429.db2.gz	YKDJPMMXYREXJX-NIDLKEISSA-N	-1	3	498.543	2.362	1	30		JEEFHM
CCOc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)N[O-])S3(=O)=O)cc(OCC)c1	ZINC000013518142	562970638	/nfs/dbraw/zinc/97/06/38/562970638.db2.gz	KZZUIFPIPUBRFP-OAHLLOKOSA-N	-1	3	479.555	2.373	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)N[O-])C(C)(C)SCc2cccnc2)cc1	ZINC000013537409	562972754	/nfs/dbraw/zinc/97/27/54/562972754.db2.gz	AYPPVQRNMZPQMU-IBGZPJMESA-N	-1	3	463.581	2.348	1	30		JEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccn2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579149	563031197	/nfs/dbraw/zinc/03/11/97/563031197.db2.gz	KRJFYQJAPWRMQJ-OTWHNJEPSA-N	-1	3	491.589	2.321	1	30		JEEFHM
CCO[P@](=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)N[O-]	ZINC000028014064	563055017	/nfs/dbraw/zinc/05/50/17/563055017.db2.gz	LXKHXLQQHKRMFP-OGPYBGEISA-N	-1	3	477.454	2.379	1	30		JEEFHM
CC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)N[O-]	ZINC000028373175	563062472	/nfs/dbraw/zinc/06/24/72/563062472.db2.gz	CUXTVWWELMBPKU-PZJWPPBQSA-N	-1	3	452.504	2.204	1	30		JEEFHM
Cc1c(F)cccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028473202	563065617	/nfs/dbraw/zinc/06/56/17/563065617.db2.gz	QEWCDBOSGBDOOY-UZLBHIALSA-N	-1	3	466.531	2.369	1	30		JEEFHM
Cc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@H]2C(=O)N[O-])cc1	ZINC000028973775	563089866	/nfs/dbraw/zinc/08/98/66/563089866.db2.gz	ZHCXOELPVFPGHI-TZIWHRDSSA-N	-1	3	452.504	2.123	1	30		JEEFHM
C[C@@H]1CCC([O-])=C(O)C(=O)C=CCc2cc(OCCn3ccnc3)cc(O)c2C(=O)O[C@H]1C	ZINC000038391254	563134251	/nfs/dbraw/zinc/13/42/51/563134251.db2.gz	MMEMFLAUBZHAOW-XSVIZIDSSA-N	-1	3	456.495	2.113	1	30		JEEFHM
C[C@@H]1CCC(=O)C(O)=C([O-])C=CCc2cc(OCCn3ccnc3)cc(O)c2C(=O)O[C@H]1C	ZINC000038391254	563134253	/nfs/dbraw/zinc/13/42/53/563134253.db2.gz	MMEMFLAUBZHAOW-XSVIZIDSSA-N	-1	3	456.495	2.113	1	30		JEEFHM
COc1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c(O)ccc([O-])c3C2=O)C(C)C)c(OC)c1	ZINC000040410547	563140617	/nfs/dbraw/zinc/14/06/17/563140617.db2.gz	DNYUENVYYHCFTP-NRFANRHFSA-N	-1	3	461.492	2.424	1	30		JEEFHM
COc1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c([O-])ccc(O)c3C2=O)C(C)C)c(OC)c1	ZINC000040410547	563140620	/nfs/dbraw/zinc/14/06/20/563140620.db2.gz	DNYUENVYYHCFTP-NRFANRHFSA-N	-1	3	461.492	2.424	1	30		JEEFHM
Cc1ccccc1N1CCN(c2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)CC1	ZINC000049036811	563199005	/nfs/dbraw/zinc/19/90/05/563199005.db2.gz	HYKTXCHYRXFJMV-UHFFFAOYSA-N	-1	3	459.568	2.150	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000001490488	562920358	/nfs/dbraw/zinc/92/03/58/562920358.db2.gz	DIIAIQCOHXBJHI-JOCHJYFZSA-N	-1	3	481.530	2.421	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(C)C[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1	ZINC000003821543	562929281	/nfs/dbraw/zinc/92/92/81/562929281.db2.gz	MVEPSFJZKBVDHV-UXHICEINSA-N	-1	3	469.604	2.112	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)N[O-]	ZINC000011688142	562957579	/nfs/dbraw/zinc/95/75/79/562957579.db2.gz	LTVIJEFEZVFIST-AZUAARDMSA-N	-1	3	472.922	2.468	1	30		JEEFHM
CCOC(OCC)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C	ZINC000013437591	562962615	/nfs/dbraw/zinc/96/26/15/562962615.db2.gz	HDXWSBKIYMJLIX-SXLOBPIMSA-N	-1	3	465.591	2.176	1	30		JEEFHM
O=C(N[O-])[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1	ZINC000013441629	562963410	/nfs/dbraw/zinc/96/34/10/562963410.db2.gz	CXDRRXBTMPCKQG-KBXCAEBGSA-N	-1	3	474.457	2.304	1	30		JEEFHM
Cc1nc(COc2ccc3c(c2)NCCN([C@@H](C(=O)N[O-])C(C)C)S3(=O)=O)sc1C	ZINC000013518165	562970620	/nfs/dbraw/zinc/97/06/20/562970620.db2.gz	RNWFVTPNHGOAMY-GOSISDBHSA-N	-1	3	454.574	2.285	1	30		JEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1	ZINC000013840073	563001733	/nfs/dbraw/zinc/00/17/33/563001733.db2.gz	SBGJIFXSCSYFSC-NSHDSACASA-N	-1	3	458.290	2.442	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]([C@@H](O)CSc3ccccc3)[C@@H]2C(=O)N[O-])cc1	ZINC000013864013	563003733	/nfs/dbraw/zinc/00/37/33/563003733.db2.gz	ZPNXAVJYHSAOKF-SLFFLAALSA-N	-1	3	480.608	2.369	1	30		JEEFHM
C[C@@H](NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[O-])c1ccccc1	ZINC000026185087	563023970	/nfs/dbraw/zinc/02/39/70/563023970.db2.gz	BFOAXVGCRDHJIK-RDTXWAMCSA-N	-1	3	468.963	2.333	1	30		JEEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)[C@H]1C(=O)N[O-]	ZINC000028470660	563065319	/nfs/dbraw/zinc/06/53/19/563065319.db2.gz	YSLNEVXKZVORTK-VGSWGCGISA-N	-1	3	485.562	2.469	1	30		JEEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3nccc4ccccc43)cc2)[C@H]1C(=O)N[O-]	ZINC000028471555	563065444	/nfs/dbraw/zinc/06/54/44/563065444.db2.gz	XVBKVNVPXQZYQF-VGSWGCGISA-N	-1	3	485.562	2.469	1	30		JEEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(Cc3ccncc3)CC2)cc1	ZINC000028861981	563083152	/nfs/dbraw/zinc/08/31/52/563083152.db2.gz	CLSBMSGIRGYRMI-UHFFFAOYSA-N	-1	3	456.568	2.078	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)[C@@H](C)CC)C2)cc1	ZINC000028951481	563087173	/nfs/dbraw/zinc/08/71/73/563087173.db2.gz	GRFJGGIFOFQTRL-HTAPYJJXSA-N	-1	3	450.557	2.023	1	30		JEEFHM
O=C(N[O-])[C@H](CCCc1ccccc1)CS(=O)(=O)c1ccc(C(=O)c2cc[n+]([O-])cc2)cc1	ZINC000029247549	563099449	/nfs/dbraw/zinc/09/94/49/563099449.db2.gz	SMWGTYPHHCYQHB-OAQYLSRUSA-N	-1	3	468.531	2.469	1	30		JEEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4cc(S(C)(=O)=O)ccc4[nH]3)C[C@H]3C[C@@]213	ZINC000049785710	563203817	/nfs/dbraw/zinc/20/38/17/563203817.db2.gz	GIKPMHYEGMMAGI-SFDCACGMSA-N	-1	3	465.487	2.180	1	30		JEEFHM
CCO[P@@](=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C(=O)N[O-]	ZINC000058537824	563206959	/nfs/dbraw/zinc/20/69/59/563206959.db2.gz	LXKHXLQQHKRMFP-KGMZSHBCSA-N	-1	3	477.454	2.379	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cccs3)C[C@H]2C(=O)N[O-])cc1	ZINC000003923785	562929953	/nfs/dbraw/zinc/92/99/53/562929953.db2.gz	VCKCQHDSLLCTDH-IBGZPJMESA-N	-1	3	487.559	2.482	1	30		JEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000010450213	562957222	/nfs/dbraw/zinc/95/72/22/562957222.db2.gz	DJASZHFLBWUJAJ-SSDOTTSWSA-N	-1	3	469.344	2.375	1	30		JEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1	ZINC000013776900	562991082	/nfs/dbraw/zinc/99/10/82/562991082.db2.gz	HJPHCDCNWWBUEA-GCJKJVERSA-N	-1	3	465.554	2.464	1	30		JEEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)Nc2ccccc2Cl)C(=O)N[O-])cc1	ZINC000026178854	563023669	/nfs/dbraw/zinc/02/36/69/563023669.db2.gz	OBDFXQWYLITTDN-KRWDZBQOSA-N	-1	3	470.935	2.103	1	30		JEEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)Nc2ccccc2Cl)C(=O)N[O-])cc1	ZINC000026188639	563024181	/nfs/dbraw/zinc/02/41/81/563024181.db2.gz	OBDFXQWYLITTDN-QGZVFWFLSA-N	-1	3	470.935	2.103	1	30		JEEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](NCc1ccccc1)C(=O)N[O-]	ZINC000026500171	563029056	/nfs/dbraw/zinc/02/90/56/563029056.db2.gz	WQRBQJFIYOYEEB-JRGCBEDISA-N	-1	3	456.543	2.108	1	30		JEEFHM
Cc1ccc(S(=O)(=O)N[C@@H](CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000026645382	563031798	/nfs/dbraw/zinc/03/17/98/563031798.db2.gz	RWNXWLHJCHZBET-NRFANRHFSA-N	-1	3	490.559	2.414	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3F)cc2)[C@H]1C(=O)N[O-]	ZINC000028397887	563064015	/nfs/dbraw/zinc/06/40/15/563064015.db2.gz	XMQNILGYVCROEB-AZUAARDMSA-N	-1	3	472.922	2.468	1	30		JEEFHM
Cc1ccc(Oc2ccc(N(C[C@H](O)C(=O)N[O-])S(=O)(=O)Cc3cccnc3)cc2)cc1	ZINC000029127829	563095849	/nfs/dbraw/zinc/09/58/49/563095849.db2.gz	WPAHDVHPQGUCCP-NRFANRHFSA-N	-1	3	457.508	2.385	1	30		JEEFHM
O=C(C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1)N1CCCCC1	ZINC000034481034	563113620	/nfs/dbraw/zinc/11/36/20/563113620.db2.gz	SPGSQKKTHWOODB-HJNYFJLDSA-N	-1	3	456.587	2.276	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3cccs3)CC2)cc1	ZINC000034801900	563115891	/nfs/dbraw/zinc/11/58/91/563115891.db2.gz	WPYFTDWGMAINBU-UHFFFAOYSA-N	-1	3	476.576	2.352	1	30		JEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1	ZINC000013776920	562991121	/nfs/dbraw/zinc/99/11/21/562991121.db2.gz	YUPQCEGDWHZIJW-GCJKJVERSA-N	-1	3	482.585	2.156	1	30		JEEFHM
CNC(=O)[C@@H]1CCCCN(C(=O)OC(C)(C)C)CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000013863583	563003445	/nfs/dbraw/zinc/00/34/45/563003445.db2.gz	SXCBCJFEHSPGNX-KSZLIROESA-N	-1	3	470.611	2.202	1	30		JEEFHM
CN(C(=O)Cc1ccncc1)[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-]	ZINC000026655283	563032398	/nfs/dbraw/zinc/03/23/98/563032398.db2.gz	URDGWSJUKZHMCI-OAQYLSRUSA-N	-1	3	469.519	2.223	1	30		JEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000027558201	563046605	/nfs/dbraw/zinc/04/66/05/563046605.db2.gz	CSBBYUZQQAEEFE-SNVBAGLBSA-N	-1	3	458.836	2.241	1	30		JEEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000028379439	563062809	/nfs/dbraw/zinc/06/28/09/563062809.db2.gz	WJULIBHPWZXMJA-IEBWSBKVSA-N	-1	3	476.334	2.372	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)[C@H](C)CC)C2)cc1	ZINC000028951479	563087191	/nfs/dbraw/zinc/08/71/91/563087191.db2.gz	GRFJGGIFOFQTRL-VGOFRKELSA-N	-1	3	450.557	2.023	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cncc4ccccc43)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973808	563089960	/nfs/dbraw/zinc/08/99/60/563089960.db2.gz	CUTIXFUHGAXDES-FYYLOGMGSA-N	-1	3	471.535	2.223	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(Cc3ccncc3)CC2)cc1	ZINC000034801902	563115862	/nfs/dbraw/zinc/11/58/62/563115862.db2.gz	XIQNNSMTTLQUTR-UHFFFAOYSA-N	-1	3	457.552	2.045	1	30		JEEFHM
Cc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)c(C)c1	ZINC000053227578	563205264	/nfs/dbraw/zinc/20/52/64/563205264.db2.gz	GWRXKVPUXYYCMA-UHFFFAOYSA-N	-1	3	473.595	2.458	1	30		JEEFHM
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-]	ZINC000058590932	563208067	/nfs/dbraw/zinc/20/80/67/563208067.db2.gz	IUVJSUAOKUISEF-CHWSQXEVSA-N	-1	3	499.450	2.263	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000003820450	562929215	/nfs/dbraw/zinc/92/92/15/562929215.db2.gz	DIIAIQCOHXBJHI-QFIPXVFZSA-N	-1	3	481.530	2.421	1	30		JEEFHM
CC(=O)N[C@H](C(=O)N[O-])[C@H]1CCN(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O	ZINC000013490347	562969249	/nfs/dbraw/zinc/96/92/49/562969249.db2.gz	CHRGPXOYOHYPAP-GGAORHGYSA-N	-1	3	462.506	2.485	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013835729	563001418	/nfs/dbraw/zinc/00/14/18/563001418.db2.gz	HCQXIXVRBXTURQ-NZQKXSOJSA-N	-1	3	495.557	2.429	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)cs3)C[C@@H]2C(=O)N[O-])cc1	ZINC000027213391	563042172	/nfs/dbraw/zinc/04/21/72/563042172.db2.gz	COEWKMGFIMMVCE-LJQANCHMSA-N	-1	3	474.564	2.204	1	30		JEEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1	ZINC000028352803	563061218	/nfs/dbraw/zinc/06/12/18/563061218.db2.gz	SPZLSWDAZSYJAK-VQIMIIECSA-N	-1	3	476.334	2.372	1	30		JEEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1	ZINC000028362896	563061889	/nfs/dbraw/zinc/06/18/89/563061889.db2.gz	FNCXJJHZBHAVJZ-IEBWSBKVSA-N	-1	3	475.441	2.084	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3F)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973792	563089953	/nfs/dbraw/zinc/08/99/53/563089953.db2.gz	XMQNILGYVCROEB-UYAOXDASSA-N	-1	3	472.922	2.468	1	30		JEEFHM
CS(=O)(=O)N(C[C@@H](C(=O)N[O-])N1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC000029039929	563091330	/nfs/dbraw/zinc/09/13/30/563091330.db2.gz	PYBCEKGPALJXJE-IBGZPJMESA-N	-1	3	469.947	2.105	1	30		JEEFHM
CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029129298	563096665	/nfs/dbraw/zinc/09/66/65/563096665.db2.gz	DIZGMOHGYCJEBO-JTHBVZDNSA-N	-1	3	462.506	2.204	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)NCCCCC)CC2)cc1	ZINC000034802399	563115953	/nfs/dbraw/zinc/11/59/53/563115953.db2.gz	QISXFHLASBPFBV-UHFFFAOYSA-N	-1	3	479.599	2.350	1	30		JEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000010450214	562957266	/nfs/dbraw/zinc/95/72/66/562957266.db2.gz	DJASZHFLBWUJAJ-ZETCQYMHSA-N	-1	3	469.344	2.375	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](COC(C)(C)C)C(=O)N[O-])cc1	ZINC000013440791	562963189	/nfs/dbraw/zinc/96/31/89/562963189.db2.gz	ZZICFCJRIRCEJP-GOSISDBHSA-N	-1	3	480.539	2.304	1	30		JEEFHM
CCO[P@@](=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)N[O-]	ZINC000013472504	562965939	/nfs/dbraw/zinc/96/59/39/562965939.db2.gz	LXKHXLQQHKRMFP-BPJXYHRLSA-N	-1	3	477.454	2.379	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)N[O-])C2CCN(C(=O)c3ccccc3)CC2)cc1	ZINC000013586031	562976473	/nfs/dbraw/zinc/97/64/73/562976473.db2.gz	CWGOBWMKFRWKPM-QFIPXVFZSA-N	-1	3	470.547	2.289	1	30		JEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1	ZINC000026376586	563026305	/nfs/dbraw/zinc/02/63/05/563026305.db2.gz	PLGMXUTUUPGPHY-LLVKDONJSA-N	-1	3	458.290	2.442	1	30		JEEFHM
N#Cc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc([O-])c3[nH]c(=O)sc32)cc1	ZINC000026942996	563037770	/nfs/dbraw/zinc/03/77/70/563037770.db2.gz	YNXZDSKIECUJBN-UHFFFAOYSA-N	-1	3	489.619	2.363	1	30		JEEFHM
Cc1ccc(F)cc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028471897	563065399	/nfs/dbraw/zinc/06/53/99/563065399.db2.gz	MVPVFNYLHBJBHV-XLIONFOSSA-N	-1	3	466.531	2.369	1	30		JEEFHM
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(/C=N/[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000028526206	563067832	/nfs/dbraw/zinc/06/78/32/563067832.db2.gz	KGCZTNVGPRKNEH-BPDXMKQKSA-N	-1	3	459.478	2.010	1	30		JEEFHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cc2cc(N3CCOCC3)nc3ccccc23)cc1	ZINC000028821964	563080860	/nfs/dbraw/zinc/08/08/60/563080860.db2.gz	ZVPKXROCOKUPBT-LADGPHEKSA-N	-1	3	490.560	2.303	1	30		JEEFHM
C#CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029130116	563096852	/nfs/dbraw/zinc/09/68/52/563096852.db2.gz	SIICAQVADMFEDB-LADGPHEKSA-N	-1	3	458.518	2.291	1	30		JEEFHM
Cc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)cc1	ZINC000049045625	563199330	/nfs/dbraw/zinc/19/93/30/563199330.db2.gz	HBPYDCJRDHWDAE-UHFFFAOYSA-N	-1	3	459.568	2.150	1	30		JEEFHM
COC(=O)[C@H](N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1)C(C)C	ZINC000058591645	563208181	/nfs/dbraw/zinc/20/81/81/563208181.db2.gz	PTFLVQGVSNPJEK-HIYCPTLRSA-N	-1	3	460.420	2.003	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cccs3)C[C@@H]2C(=O)N[O-])cc1	ZINC000011687898	562957479	/nfs/dbraw/zinc/95/74/79/562957479.db2.gz	VCKCQHDSLLCTDH-LJQANCHMSA-N	-1	3	487.559	2.482	1	30		JEEFHM
COc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)N[O-])C(C)C)S3(=O)=O)cc(OC)c1	ZINC000013518159	562970670	/nfs/dbraw/zinc/97/06/70/562970670.db2.gz	YHQKAILNGYAYKF-OAQYLSRUSA-N	-1	3	479.555	2.229	1	30		JEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1	ZINC000013776905	562991044	/nfs/dbraw/zinc/99/10/44/562991044.db2.gz	FNRRTPCWYWKARV-VGSWGCGISA-N	-1	3	465.554	2.464	1	30		JEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1ccc2ccccc2n1)C(=O)N[O-])C(C)(C)C	ZINC000013802392	562994369	/nfs/dbraw/zinc/99/43/69/562994369.db2.gz	NOJJACCRGJNXQC-HLAWJBBLSA-N	-1	3	471.602	2.138	1	30		JEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2oc(=O)ccc2c1)C(=O)N[O-])C(C)(C)C	ZINC000013802403	562994397	/nfs/dbraw/zinc/99/43/97/562994397.db2.gz	URGPIZFOCVNKJR-JRGCBEDISA-N	-1	3	489.569	2.123	1	30		JEEFHM
C[C@@H](NC(=O)NCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)NO)c1ccccc1	ZINC000026189386	563024190	/nfs/dbraw/zinc/02/41/90/563024190.db2.gz	ZDWOBZFEGWQLPY-CXAGYDPISA-N	-1	3	486.953	2.472	1	30		JEEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[O-]	ZINC000026568628	563029824	/nfs/dbraw/zinc/02/98/24/563029824.db2.gz	WVJTZQMLJUHHFY-CDHQVMDDSA-N	-1	3	472.498	2.469	1	30		JEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2cccnc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579095	563031160	/nfs/dbraw/zinc/03/11/60/563031160.db2.gz	DOXQCKVUXMRSLL-ZCNNSNEGSA-N	-1	3	491.589	2.321	1	30		JEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(F)(F)F)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579985	563031397	/nfs/dbraw/zinc/03/13/97/563031397.db2.gz	PNLMWJPYDPWVER-KSZLIROESA-N	-1	3	473.492	2.349	1	30		JEEFHM
COC(=O)c1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(C)C)C(=O)N[O-])cc1	ZINC000027094130	563039635	/nfs/dbraw/zinc/03/96/35/563039635.db2.gz	MNSIUKHRGJOOFL-PKTZIBPZSA-N	-1	3	497.592	2.417	1	30		JEEFHM
CS(=O)(=O)N1CCC(NCc2noc([C@H](CCCC3CCCCC3)CC(=O)N[O-])n2)CC1	ZINC000028701886	563074465	/nfs/dbraw/zinc/07/44/65/563074465.db2.gz	QDRXDXOBHKCANX-QGZVFWFLSA-N	-1	3	471.624	2.313	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)[C@@H](C)CC)C2)cc1	ZINC000028951484	563087218	/nfs/dbraw/zinc/08/72/18/563087218.db2.gz	GRFJGGIFOFQTRL-JTSKRJEESA-N	-1	3	450.557	2.023	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cccc(Cl)c3)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973744	563089877	/nfs/dbraw/zinc/08/98/77/563089877.db2.gz	LOQCMKWGWBMVPA-UYAOXDASSA-N	-1	3	454.932	2.329	1	30		JEEFHM
NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCOCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)N[O-]	ZINC000040874735	563152023	/nfs/dbraw/zinc/15/20/23/563152023.db2.gz	MCEIXJWWBPSHMV-BCHFMIIMSA-N	-1	3	494.523	2.329	1	30		JEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000010450210	562957206	/nfs/dbraw/zinc/95/72/06/562957206.db2.gz	YXXIQAWIZFAIOP-ZETCQYMHSA-N	-1	3	469.344	2.375	1	30		JEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000010450209	562957243	/nfs/dbraw/zinc/95/72/43/562957243.db2.gz	YXXIQAWIZFAIOP-SSDOTTSWSA-N	-1	3	469.344	2.375	1	30		JEEFHM
O=C(N[O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1	ZINC000013797748	562993424	/nfs/dbraw/zinc/99/34/24/562993424.db2.gz	BAAHKTZFKMCWLC-GOSISDBHSA-N	-1	3	478.573	2.202	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCS(=O)(=O)Cc2ccccc2)C(=O)N[O-])cc1	ZINC000013863992	563003706	/nfs/dbraw/zinc/00/37/06/563003706.db2.gz	NKRKWSFHPLAZOP-NRFANRHFSA-N	-1	3	498.623	2.221	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(C)[C@H](CCCNC(=O)Nc2ccccc2Cl)C(=O)N[O-])cc1	ZINC000026180267	563023771	/nfs/dbraw/zinc/02/37/71/563023771.db2.gz	LIYZZUMGVCYMMI-GOSISDBHSA-N	-1	3	484.962	2.445	1	30		JEEFHM
COc1cccc(OC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3C(=O)[N-]O)CC2)c1	ZINC000026499849	563029033	/nfs/dbraw/zinc/02/90/33/563029033.db2.gz	NICYWIBCSYQDRP-UHFFFAOYSA-N	-1	3	466.512	2.064	1	30		JEEFHM
Cc1ccc(S(=O)(=O)N[C@H](CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000026645388	563031769	/nfs/dbraw/zinc/03/17/69/563031769.db2.gz	RWNXWLHJCHZBET-OAQYLSRUSA-N	-1	3	490.559	2.414	1	30		JEEFHM
CC(C)C[C@@H](C(=O)N[O-])C(=O)N[C@@H](CCc1ccccc1)C(=O)NCCc1ccc(O)cc1	ZINC000027092469	563039609	/nfs/dbraw/zinc/03/96/09/563039609.db2.gz	JUFXBRBJBRYADB-YADHBBJMSA-N	-1	3	455.555	2.336	1	30		JEEFHM
COC(=O)c1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)C(=O)N[O-])cc1	ZINC000027094139	563039746	/nfs/dbraw/zinc/03/97/46/563039746.db2.gz	MNSIUKHRGJOOFL-GOTSBHOMSA-N	-1	3	497.592	2.417	1	30		JEEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000028382749	563062997	/nfs/dbraw/zinc/06/29/97/563062997.db2.gz	JITKRVBMGWVILD-IEBWSBKVSA-N	-1	3	476.334	2.372	1	30		JEEFHM
Cc1ccc(F)cc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)N[O-])cc1	ZINC000028394199	563063816	/nfs/dbraw/zinc/06/38/16/563063816.db2.gz	UTAGRFZAWOLQHO-PZJWPPBQSA-N	-1	3	452.504	2.123	1	30		JEEFHM
CCc1ccccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028471970	563065505	/nfs/dbraw/zinc/06/55/05/563065505.db2.gz	ZMDMPUVIZFSSCM-NQIIRXRSSA-N	-1	3	462.568	2.484	1	30		JEEFHM
COC(=O)N1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000028821956	563080893	/nfs/dbraw/zinc/08/08/93/563080893.db2.gz	ZASAXMMLZWOHBG-RBBKRZOGSA-N	-1	3	462.506	2.436	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)c3ccccc3)C2)cc1	ZINC000028951487	563087179	/nfs/dbraw/zinc/08/71/79/563087179.db2.gz	JQJWNYAMOJOHCE-DEOSSOPVSA-N	-1	3	470.547	2.290	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973818	563089939	/nfs/dbraw/zinc/08/99/39/563089939.db2.gz	VXAWAFRITDQICI-FYYLOGMGSA-N	-1	3	471.535	2.223	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cncc4ccccc43)cc2)[C@H]1C(=O)N[O-]	ZINC000028973814	563089955	/nfs/dbraw/zinc/08/99/55/563089955.db2.gz	CUTIXFUHGAXDES-JTHBVZDNSA-N	-1	3	471.535	2.223	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3ccccc3)CC2)cc1	ZINC000034801890	563115893	/nfs/dbraw/zinc/11/58/93/563115893.db2.gz	HNEDFPGSHTUVKZ-UHFFFAOYSA-N	-1	3	470.547	2.290	1	30		JEEFHM
COc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3C(=O)[N-]O)CC2)cc1	ZINC000000589984	562918115	/nfs/dbraw/zinc/91/81/15/562918115.db2.gz	DLQDIVPCTCJXSZ-UHFFFAOYSA-N	-1	3	466.512	2.064	1	30		JEEFHM
O=C(N[O-])[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1	ZINC000013441642	562963416	/nfs/dbraw/zinc/96/34/16/562963416.db2.gz	TVRQFUFQUOUOJG-RDTXWAMCSA-N	-1	3	474.457	2.304	1	30		JEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000013863162	563003240	/nfs/dbraw/zinc/00/32/40/563003240.db2.gz	MIAKGRHWWFOBOU-JTQLQIEISA-N	-1	3	458.836	2.241	1	30		JEEFHM
O=C(NCc1csc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[O-])c1)c1ccccc1	ZINC000027520607	563044886	/nfs/dbraw/zinc/04/48/86/563044886.db2.gz	IMRWXXAPWNPDGA-IBGZPJMESA-N	-1	3	471.560	2.299	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cccc(Cl)c3)cc2)[C@H]1C(=O)N[O-]	ZINC000028392645	563063706	/nfs/dbraw/zinc/06/37/06/563063706.db2.gz	LOQCMKWGWBMVPA-AZUAARDMSA-N	-1	3	454.932	2.329	1	30		JEEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000028861972	563083185	/nfs/dbraw/zinc/08/31/85/563083185.db2.gz	RXFCFGLSOUOCEA-UHFFFAOYSA-N	-1	3	465.572	2.418	1	30	in-vivo	JEEFHM
Cc1c(F)cccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@H]2C(=O)N[O-])cc1	ZINC000028973769	563089857	/nfs/dbraw/zinc/08/98/57/563089857.db2.gz	NOBVVTLEQRHRBY-TZIWHRDSSA-N	-1	3	452.504	2.123	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3Cl)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973737	563089874	/nfs/dbraw/zinc/08/98/74/563089874.db2.gz	NIBQFPHLKYOWJP-UYAOXDASSA-N	-1	3	454.932	2.329	1	30		JEEFHM
COC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029129184	563096676	/nfs/dbraw/zinc/09/66/76/563096676.db2.gz	TTZQPUPTVJAEIJ-RBBKRZOGSA-N	-1	3	478.505	2.424	1	30		JEEFHM
CN(CN1CCN(C)CC1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)N[O-])n1	ZINC000040933885	563157064	/nfs/dbraw/zinc/15/70/64/563157064.db2.gz	ZHPLZQUODUBTCW-GOSISDBHSA-N	-1	3	450.584	2.076	1	30		JEEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(C=O)CC3)cc2)c2ccccc2n1	ZINC000040954315	563160471	/nfs/dbraw/zinc/16/04/71/563160471.db2.gz	DVAPUVGZYOTZOY-UHFFFAOYSA-N	-1	3	483.546	2.392	1	30		JEEFHM
COC(=O)[C@H](N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(C)cc1)C(C)C	ZINC000058650055	563208582	/nfs/dbraw/zinc/20/85/82/563208582.db2.gz	YVOXBXIQQMRGSK-SUJSVXCUSA-N	-1	3	474.447	2.311	1	30		JEEFHM
C=C1C[C@](Cn2cc(Br)c(=O)[n-]c2=O)(c2ccc(Br)cc2)OC1=O	ZINC000005957119	562935944	/nfs/dbraw/zinc/93/59/44/562935944.db2.gz	HBPZUXCPAVPCAW-INIZCTEOSA-N	-1	3	456.090	2.460	1	30		JEEFHM
O=C(NCc1csc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[O-])c1)c1ccccc1	ZINC000013797765	562993430	/nfs/dbraw/zinc/99/34/30/562993430.db2.gz	IMRWXXAPWNPDGA-LJQANCHMSA-N	-1	3	471.560	2.299	1	30		JEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc21)C(=O)N[O-])C(C)(C)C	ZINC000013802388	562994416	/nfs/dbraw/zinc/99/44/16/562994416.db2.gz	DJQJEICJRBFEOV-HLAWJBBLSA-N	-1	3	471.602	2.138	1	30		JEEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCS(=O)(=O)Cc2ccccc2)C(=O)N[O-])cc1	ZINC000013863993	563003701	/nfs/dbraw/zinc/00/37/01/563003701.db2.gz	NKRKWSFHPLAZOP-OAQYLSRUSA-N	-1	3	498.623	2.221	1	30		JEEFHM
CSCC[C@H](NC(=O)[C@@H](CC[C@@H](NC(=O)[C@@H](N)CS)C(C)C)Cc1ccccc1)C(=O)[O-]	ZINC000026666025	563033001	/nfs/dbraw/zinc/03/30/01/563033001.db2.gz	GVGGCDOKAJYANR-HAGHYFMRSA-N	-1	3	483.700	2.346	1	30		JEEFHM
COc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]([C@@H](O)CSc3ccccc3)[C@@H]2C(=O)N[O-])cc1	ZINC000026829201	563036181	/nfs/dbraw/zinc/03/61/81/563036181.db2.gz	ZPNXAVJYHSAOKF-XUVXKRRUSA-N	-1	3	480.608	2.369	1	30		JEEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3Cl)cc2)[C@H]1C(=O)N[O-]	ZINC000028383143	563063036	/nfs/dbraw/zinc/06/30/36/563063036.db2.gz	NIBQFPHLKYOWJP-AZUAARDMSA-N	-1	3	454.932	2.329	1	30		JEEFHM
Cc1cc(F)ccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028472506	563065519	/nfs/dbraw/zinc/06/55/19/563065519.db2.gz	LOMOBWUKCBVLNJ-XLIONFOSSA-N	-1	3	466.531	2.369	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)[C@H](C)CC)C2)cc1	ZINC000028951482	563087164	/nfs/dbraw/zinc/08/71/64/563087164.db2.gz	GRFJGGIFOFQTRL-VGSWGCGISA-N	-1	3	450.557	2.023	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)OCC(C)C)C2)cc1	ZINC000028951470	563087212	/nfs/dbraw/zinc/08/72/12/563087212.db2.gz	AGMWQNDXCWDRDZ-QFIPXVFZSA-N	-1	3	466.556	2.243	1	30		JEEFHM
O=C(C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1)N1CCCCC1	ZINC000034481032	563113611	/nfs/dbraw/zinc/11/36/11/563113611.db2.gz	SPGSQKKTHWOODB-BVSLBCMMSA-N	-1	3	456.587	2.276	1	30		JEEFHM
CCOC(=S)[N-]Cc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	ZINC000038515825	574414412	/nfs/dbraw/zinc/41/44/12/574414412.db2.gz	WYFYRQBBNVSDHV-CDEOHPBMSA-N	-1	3	483.539	2.428	1	30	endogenous,in-man	JEEFHM
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013441656	562963425	/nfs/dbraw/zinc/96/34/25/562963425.db2.gz	LDMWZYZAAZFUTC-FZKQIMNGSA-N	-1	3	452.460	2.066	1	30		JEEFHM
O=C(N[O-])[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1	ZINC000013441638	562963428	/nfs/dbraw/zinc/96/34/28/562963428.db2.gz	DLEQDRFQHDSZFK-CRAIPNDOSA-N	-1	3	474.457	2.304	1	30		JEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[O-])C(C)(C)C	ZINC000013802382	562994342	/nfs/dbraw/zinc/99/43/42/562994342.db2.gz	KRYUMKRXIOHIFV-QHAWAJNXSA-N	-1	3	484.597	2.383	1	30		JEEFHM
COc1cc(C)c(S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c2ccccc2)C(=O)N[O-])c(C)c1	ZINC000026185097	563024013	/nfs/dbraw/zinc/02/40/13/563024013.db2.gz	LMJIUYWNLOZNQZ-YLJYHZDGSA-N	-1	3	492.598	2.305	1	30		JEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1	ZINC000027554937	563046263	/nfs/dbraw/zinc/04/62/63/563046263.db2.gz	SBGJIFXSCSYFSC-LLVKDONJSA-N	-1	3	458.290	2.442	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)OCC(C)C)C2)cc1	ZINC000028951468	563087193	/nfs/dbraw/zinc/08/71/93/563087193.db2.gz	AGMWQNDXCWDRDZ-JOCHJYFZSA-N	-1	3	466.556	2.243	1	30		JEEFHM
[NH3+]CCc1c2ccccc2[nH]c1NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-]	ZINC000029327033	563100505	/nfs/dbraw/zinc/10/05/05/563100505.db2.gz	CZAWQIOULAMVAY-FQEVSTJZSA-N	-1	3	458.430	2.282	1	30		JEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(c3c(C)noc3C)CC2)cc1	ZINC000045483995	563195287	/nfs/dbraw/zinc/19/52/87/563195287.db2.gz	BBCCMNOZBPHYAJ-UHFFFAOYSA-N	-1	3	461.540	2.259	1	30		JEEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)cc2)CCN(C2CC2)CC1	ZINC000049046750	563199416	/nfs/dbraw/zinc/19/94/16/563199416.db2.gz	UWCWCXPWHSKCKX-UHFFFAOYSA-N	-1	3	484.622	2.289	1	30		JEEFHM