smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2c(ncn2CC(=O)Nc2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000001118072	210320026	/nfs/dbraw/zinc/32/00/26/210320026.db2.gz	ZYODXOPQIDLGEN-UHFFFAOYSA-N	-1	0	357.326	-0.229	10	0		FBAERM
Cn1c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])cc2n(C)c(=O)c1=O	ZINC000002928942	483402903	/nfs/dbraw/zinc/40/29/03/483402903.db2.gz	VYXZWCSFNVUEMM-NSHDSACASA-N	-1	0	367.383	-0.525	10	0		FBAERM
Cn1c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc2n(C)c(=O)c1=O	ZINC000002928944	483402821	/nfs/dbraw/zinc/40/28/21/483402821.db2.gz	VYXZWCSFNVUEMM-LLVKDONJSA-N	-1	0	367.383	-0.525	10	0		FBAERM
CCn1c2ccc(S(=O)(=O)N(C)CC(=O)[O-])cc2n(CC)c(=O)c1=O	ZINC000002929136	204069466	/nfs/dbraw/zinc/06/94/66/204069466.db2.gz	QPZJNMXJGCGCHQ-UHFFFAOYSA-N	-1	0	369.399	-0.092	10	0		FBAERM
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000003645688	483407317	/nfs/dbraw/zinc/40/73/17/483407317.db2.gz	JJPMVRHZSQGALO-BHDSKKPTSA-N	-1	0	365.386	-0.467	10	0		FBAERM
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000003917201	210229033	/nfs/dbraw/zinc/22/90/33/210229033.db2.gz	ZVGQDSFLALZVNS-NNYUYHANSA-N	-1	0	373.406	-0.932	10	0		FBAERM
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](C)CC	ZINC000003920505	219532444	/nfs/dbraw/zinc/53/24/44/219532444.db2.gz	RFNNDNGXWCBNGK-VLJOUNFMSA-N	-1	0	370.402	-0.077	10	0		FBAERM
COc1cc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)[O-])C[C@H]2O)ccc1O	ZINC000004095885	291023078	/nfs/dbraw/zinc/02/30/78/291023078.db2.gz	VTMFDSJJVNQXLT-XQCMRRNBSA-N	-1	0	368.338	-0.343	10	0	biogenic,in-vitro	FBAERM
CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N2[C@H]1C(=O)[O-]	ZINC000004097194	484617402	/nfs/dbraw/zinc/61/74/02/484617402.db2.gz	MIFYHUACUWQUKT-GPUHXXMPSA-N	-1	0	359.404	-0.800	10	0	in-man	FBAERM
O=C([O-])CNC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000004899863	207060436	/nfs/dbraw/zinc/06/04/36/207060436.db2.gz	MHTHBMUCLUMYKP-RVBZMBCESA-N	-1	0	358.420	-0.971	10	0		FBAERM
O=C([O-])c1nn(CC(=O)NC(=O)CN2CCCC2=O)c(=O)c2ccccc21	ZINC000006553487	207146774	/nfs/dbraw/zinc/14/67/74/207146774.db2.gz	IUXVSWFKTRZFGH-UHFFFAOYSA-N	-1	0	372.337	-0.640	10	0		FBAERM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000006919086	483421602	/nfs/dbraw/zinc/42/16/02/483421602.db2.gz	XUWGGPSTZRQLPJ-UHFFFAOYSA-N	-1	0	356.356	-0.483	10	0		FBAERM
CNc1nc2c(ncnc2N)n1[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O	ZINC000008662657	219865743	/nfs/dbraw/zinc/86/57/43/219865743.db2.gz	BSUDVADBEMYPCQ-GAWUUDPSSA-N	-1	0	358.251	-0.776	10	0		FBAERM
Cc1cc(O)c(C2(O)C(=O)[N-]C(=O)NC2=O)c(=O)n1Cc1ccccc1	ZINC000009694461	207282204	/nfs/dbraw/zinc/28/22/04/207282204.db2.gz	NPJRSNSVIUPZHQ-UHFFFAOYSA-N	-1	0	357.322	-0.536	10	0		FBAERM
CC(C)C[C@H](NC(=O)[C@H]1O[C@H]1C(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000013367002	206804347	/nfs/dbraw/zinc/80/43/47/206804347.db2.gz	ZVGQDSFLALZVNS-FIQHERPVSA-N	-1	0	373.406	-0.932	10	0		FBAERM
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000013515701	484196987	/nfs/dbraw/zinc/19/69/87/484196987.db2.gz	UTTLUAQBFYOVMO-JHZZJYKESA-N	-1	0	368.294	-0.927	10	0	in-vitro	FBAERM
O=C([O-])CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1	ZINC000013529832	220072050	/nfs/dbraw/zinc/07/20/50/220072050.db2.gz	DSDFKIFTUAUOTB-ZDUSSCGKSA-N	-1	0	373.369	-0.932	10	0		FBAERM
[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000013549724	220073246	/nfs/dbraw/zinc/07/32/46/220073246.db2.gz	FIRWJEJVFFGXSH-RYUDHWBXSA-N	-1	0	351.359	-0.893	10	0		FBAERM
CC(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000013557363	211039092	/nfs/dbraw/zinc/03/90/92/211039092.db2.gz	ORIIRLCDJGETQD-XQQFMLRXSA-N	-1	0	359.423	-0.760	10	0		FBAERM
CCO[P@](=O)([O-])CC[C@H](CO)OCn1cnc2c1nc(N)[nH]c2=O	ZINC000013886709	220097992	/nfs/dbraw/zinc/09/79/92/220097992.db2.gz	SHTSUAVVZOYEBO-MRVPVSSYSA-N	-1	0	361.295	-0.351	10	0		FBAERM
CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H]1C(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000013905755	206803815	/nfs/dbraw/zinc/80/38/15/206803815.db2.gz	ZVGQDSFLALZVNS-YFKTTZPYSA-N	-1	0	373.406	-0.932	10	0		FBAERM
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccsc2C(=O)[O-])c1=O	ZINC000016052001	220177463	/nfs/dbraw/zinc/17/74/63/220177463.db2.gz	ZTAZUCRXCRXNSU-VIFPVBQESA-N	-1	0	353.356	-0.462	10	0	in-vitro	FBAERM
[NH3+][C@@H](CS[C@@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O)C(=O)[O-]	ZINC000016900406	204643570	/nfs/dbraw/zinc/64/35/70/204643570.db2.gz	QHIIHUKGSFONFJ-WCBMZHEXSA-N	-1	0	354.340	-0.133	10	0		FBAERM
[NH3+][C@H](CS[C@@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O)C(=O)[O-]	ZINC000016900407	211171848	/nfs/dbraw/zinc/17/18/48/211171848.db2.gz	QHIIHUKGSFONFJ-PSASIEDQSA-N	-1	0	354.340	-0.133	10	0		FBAERM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2nnc(C)s2)C1=O)C(=O)[O-]	ZINC000016900633	220195382	/nfs/dbraw/zinc/19/53/82/220195382.db2.gz	FXPSKPOALIKLCY-JGVFFNPUSA-N	-1	0	358.401	-0.199	10	0		FBAERM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2nnc(C)s2)C1=O)C(=O)[O-]	ZINC000016900634	211171844	/nfs/dbraw/zinc/17/18/44/211171844.db2.gz	FXPSKPOALIKLCY-HTQZYQBOSA-N	-1	0	358.401	-0.199	10	0		FBAERM
[NH3+][C@@H](CS[C@@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O)C(=O)[O-]	ZINC000016900819	211171414	/nfs/dbraw/zinc/17/14/14/211171414.db2.gz	IXVQDLLDDKRSLC-NKWVEPMBSA-N	-1	0	359.385	-0.453	10	0		FBAERM
[NH3+][C@H](CS[C@@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O)C(=O)[O-]	ZINC000016900820	211172091	/nfs/dbraw/zinc/17/20/91/211172091.db2.gz	IXVQDLLDDKRSLC-RNFRBKRXSA-N	-1	0	359.385	-0.453	10	0		FBAERM
CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)CC1	ZINC000016901952	204643156	/nfs/dbraw/zinc/64/31/56/204643156.db2.gz	NCWSEWGIQDQRFH-CYBMUJFWSA-N	-1	0	361.354	-0.114	10	0		FBAERM
CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]1O	ZINC000022066148	220375398	/nfs/dbraw/zinc/37/53/98/220375398.db2.gz	MPPRVQRSSRVWGG-HHHUOAJASA-N	-1	0	360.388	-0.989	10	0	in-vitro	FBAERM
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	ZINC000022066489	484406976	/nfs/dbraw/zinc/40/69/76/484406976.db2.gz	UTTLUAQBFYOVMO-SMSYFYOWSA-N	-1	0	368.294	-0.927	10	0		FBAERM
O=C([O-])Cc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)cc1	ZINC000023476897	211389035	/nfs/dbraw/zinc/38/90/35/211389035.db2.gz	NCNKDLQHIVLONE-HNNXBMFYSA-N	-1	0	361.398	-0.445	10	0		FBAERM
O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)cc1O	ZINC000023476962	211390137	/nfs/dbraw/zinc/39/01/37/211390137.db2.gz	POVMIPRJGVKOJM-ZDUSSCGKSA-N	-1	0	363.370	-0.668	10	0		FBAERM
O=C([O-])C1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)C(O)[C@H](O)C1	ZINC000031155033	484407318	/nfs/dbraw/zinc/40/73/18/484407318.db2.gz	GWTUHAXUUFROTF-AVXJPILUSA-N	-1	0	354.311	-0.646	10	0		FBAERM
Nc1cccc(C(=O)NCCS(=O)(=O)CCOS(=O)(=O)[O-])c1	ZINC000031318703	483527436	/nfs/dbraw/zinc/52/74/36/483527436.db2.gz	VDSCZRDDLKLPIT-UHFFFAOYSA-N	-1	0	352.390	-0.767	10	0		FBAERM
O=C([O-])Cn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1	ZINC000032918029	208057027	/nfs/dbraw/zinc/05/70/27/208057027.db2.gz	OTRKLFOXFMPUDQ-UHFFFAOYSA-N	-1	0	370.431	-0.009	10	0		FBAERM
O=C([O-])C1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](O)C(O)[C@@H](O)C1	ZINC000033985715	484406702	/nfs/dbraw/zinc/40/67/02/484406702.db2.gz	GWTUHAXUUFROTF-YMQLDNTMSA-N	-1	0	354.311	-0.646	10	0		FBAERM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2[S@]1=O	ZINC000033986562	208103686	/nfs/dbraw/zinc/10/36/86/208103686.db2.gz	FCZNNHHXCFARDY-SUQPQPQFSA-N	-1	0	350.396	-0.124	10	0		FBAERM
[NH3+][C@H](CC1CCCCC1)C(=O)N[C@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000034269848	483576297	/nfs/dbraw/zinc/57/62/97/483576297.db2.gz	CNDMSQXUUIBFPE-VXGBXAGGSA-N	-1	0	357.407	-0.166	10	0	in-vitro	FBAERM
Nc1nc(=O)n([C@H]2CC[C@@H](CO)O2)cc1C#CC[N-]C(=O)C(F)(F)F	ZINC000034332305	484407560	/nfs/dbraw/zinc/40/75/60/484407560.db2.gz	SINWQMVIWQGNFM-VHSXEESVSA-N	-1	0	360.292	-0.475	10	0		FBAERM
O=C([O-])/C=C\c1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000034600529	483497606	/nfs/dbraw/zinc/49/76/06/483497606.db2.gz	XRLPSAYLYDMYGX-UETKAVOHSA-N	-1	0	366.322	-0.291	10	0		FBAERM
O=C([O-])/C=C\c1ccc2occc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000035846649	220794468	/nfs/dbraw/zinc/79/44/68/220794468.db2.gz	CAMYXILYLXYDFE-MIVOEOINSA-N	-1	0	366.322	-0.291	10	0		FBAERM
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC000036488838	483532805	/nfs/dbraw/zinc/53/28/05/483532805.db2.gz	BMMXRKXDJYQDGV-UUOKFMHZSA-N	-1	0	363.654	-0.164	10	0		FBAERM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O	ZINC000036498838	205015836	/nfs/dbraw/zinc/01/58/36/205015836.db2.gz	FCZNNHHXCFARDY-RXQKLTGPSA-N	-1	0	350.396	-0.124	10	0		FBAERM
Cn1c(N)c(NC(=O)c2ccc(S(=O)(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000039125329	483601632	/nfs/dbraw/zinc/60/16/32/483601632.db2.gz	MDKJZPWHMAGQRM-UHFFFAOYSA-N	-1	0	354.344	-0.835	10	0		FBAERM
Nc1c(N2CCC(C(=O)[O-])CC2)ncnc1N1CCN(CCO)CC1	ZINC000040734655	136120498	/nfs/dbraw/zinc/12/04/98/136120498.db2.gz	QVZBCAULSLALNT-UHFFFAOYSA-N	-1	0	350.423	-0.526	10	0		FBAERM
CN1C(=O)[C@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)C[C@H]1c1cccnc1	ZINC000044135863	211795543	/nfs/dbraw/zinc/79/55/43/211795543.db2.gz	MVAWOCGWLKGPKL-XYOMKSJCSA-N	-1	0	350.327	-0.583	10	0	in-vitro	FBAERM
CC1(C)S[C@@H]([C@H]2NC(=O)[C@@H](c3ccc(O)cc3)NC2=O)N[C@H]1C(=O)[O-]	ZINC000044136010	220953695	/nfs/dbraw/zinc/95/36/95/220953695.db2.gz	IIZCCQJEPBWGJU-ZHPDPMBESA-N	-1	0	365.411	-0.058	10	0	in-vitro	FBAERM
CC1(C)S[C@@H]([C@H]2NC(=O)[C@@H](c3ccc(O)cc3)NC2=O)N[C@@H]1C(=O)[O-]	ZINC000044136013	205106486	/nfs/dbraw/zinc/10/64/86/205106486.db2.gz	IIZCCQJEPBWGJU-DEKYYXRVSA-N	-1	0	365.411	-0.058	10	0	in-vitro	FBAERM
CC1(C)S[C@H]([C@H]2NC(=O)[C@@H](c3ccc(O)cc3)NC2=O)N[C@@H]1C(=O)[O-]	ZINC000044136019	208311230	/nfs/dbraw/zinc/31/12/30/208311230.db2.gz	IIZCCQJEPBWGJU-FBKDDSFISA-N	-1	0	365.411	-0.058	10	0	in-vitro	FBAERM
CC(=O)O[C@H]1[C@H](OC(C)=O)O[C@H](C(=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000044964151	483633490	/nfs/dbraw/zinc/63/34/90/483633490.db2.gz	FHWVABAZBHDMEY-ZXPJVPCYSA-N	-1	0	362.287	-0.846	10	0	in-vitro	FBAERM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2[S@@](=O)C1	ZINC000060193437	484035697	/nfs/dbraw/zinc/03/56/97/484035697.db2.gz	GAMHLNJQISGSQF-GBPIQMGNSA-N	-1	0	363.395	-0.540	10	0	in-vitro	FBAERM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2[S@@](=O)C1	ZINC000060193440	212020651	/nfs/dbraw/zinc/02/06/51/212020651.db2.gz	GAMHLNJQISGSQF-JBDOZAHLSA-N	-1	0	363.395	-0.540	10	0	in-vitro	FBAERM
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000065748716	221237045	/nfs/dbraw/zinc/23/70/45/221237045.db2.gz	UTTLUAQBFYOVMO-SGPHBRAGSA-N	-1	0	368.294	-0.927	10	0		FBAERM
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000065748717	221237400	/nfs/dbraw/zinc/23/74/00/221237400.db2.gz	UTTLUAQBFYOVMO-JTTNIQEDSA-N	-1	0	368.294	-0.927	10	0		FBAERM
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000065748720	221237187	/nfs/dbraw/zinc/23/71/87/221237187.db2.gz	UTTLUAQBFYOVMO-WZYWGQKZSA-N	-1	0	368.294	-0.927	10	0		FBAERM
C[C@H](NS(C)(=O)=O)C(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1	ZINC000067846822	205396450	/nfs/dbraw/zinc/39/64/50/205396450.db2.gz	XJVYBJXGKZQWKA-VIFPVBQESA-N	-1	0	370.431	-0.186	10	0		FBAERM
C[C@@H](NS(C)(=O)=O)C(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1	ZINC000067846823	208732480	/nfs/dbraw/zinc/73/24/80/208732480.db2.gz	XJVYBJXGKZQWKA-SECBINFHSA-N	-1	0	370.431	-0.186	10	0		FBAERM
O=C([O-])[C@H](Cn1cc(Br)c(=O)[nH]c1=O)NC(=O)C1CCC1	ZINC000067896265	660218209	/nfs/dbraw/zinc/21/82/09/660218209.db2.gz	YOROXALVWKEXQJ-QMMMGPOBSA-N	-1	0	360.164	-0.331	10	0		FBAERM
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000071757371	208774557	/nfs/dbraw/zinc/77/45/57/208774557.db2.gz	ARQXEQLMMNGFDU-XYFZXANASA-N	-1	0	352.295	-0.628	10	0		FBAERM
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000071757377	483724477	/nfs/dbraw/zinc/72/44/77/483724477.db2.gz	ARQXEQLMMNGFDU-ADVQIIOHSA-N	-1	0	352.295	-0.628	10	0	in-vitro	FBAERM
O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCCc1n[nH]c(=O)[n-]1	ZINC000072161643	657392019	/nfs/dbraw/zinc/39/20/19/657392019.db2.gz	ZYSDARGRLZKKIJ-NSHDSACASA-N	-1	0	364.431	-0.791	10	0		FBAERM
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1n[nH]c(=O)[n-]1	ZINC000072161644	660307297	/nfs/dbraw/zinc/30/72/97/660307297.db2.gz	ZYSDARGRLZKKIJ-LLVKDONJSA-N	-1	0	364.431	-0.791	10	0		FBAERM
Cc1c2c(cc(=O)n1CCN1CCOCC1)[n-]n(-c1ncccn1)c2=O	ZINC000072446245	221533555	/nfs/dbraw/zinc/53/35/55/221533555.db2.gz	XUPOXSRMFIZPMB-UHFFFAOYSA-N	-1	0	356.386	-0.089	10	0		FBAERM
CCOC(=O)Cn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)[O-])c1=O	ZINC000073658825	205031937	/nfs/dbraw/zinc/03/19/37/205031937.db2.gz	HKFZPVGHYXTMGG-UHFFFAOYSA-N	-1	0	366.326	-0.172	10	0		FBAERM
COc1cc2c(cc1OC)n(CC(=O)[O-])c(=O)n(CC(OC)OC)c2=O	ZINC000073658884	208188566	/nfs/dbraw/zinc/18/85/66/208188566.db2.gz	ZBXMMIOAVYFAHM-UHFFFAOYSA-N	-1	0	368.342	-0.116	10	0		FBAERM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2[S@](=O)C1	ZINC000077285513	484024771	/nfs/dbraw/zinc/02/47/71/484024771.db2.gz	GAMHLNJQISGSQF-BYWJNASNSA-N	-1	0	363.395	-0.540	10	0	in-vitro	FBAERM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2[S@](=O)C1	ZINC000077285516	484679098	/nfs/dbraw/zinc/67/90/98/484679098.db2.gz	GAMHLNJQISGSQF-GMHVPVOMSA-N	-1	0	363.395	-0.540	10	0	in-vitro	FBAERM
CCN1CCN(Cc2cc(=O)n3[n-]c(C)cc3n2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077485088	661762927	/nfs/dbraw/zinc/76/29/27/661762927.db2.gz	HCWBEQOCOAZDBW-KGLIPLIRSA-N	-1	0	365.459	-0.366	10	0		FBAERM
Cc1cccc(CC(=O)N2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000077540906	661763403	/nfs/dbraw/zinc/76/34/03/661763403.db2.gz	OISGTCYDCZXOOV-CABCVRRESA-N	-1	0	366.439	-0.068	10	0		FBAERM
CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000090923051	661808295	/nfs/dbraw/zinc/80/82/95/661808295.db2.gz	SJGCIIHTXOAPCR-SSDOTTSWSA-N	-1	0	355.419	-0.784	10	0		FBAERM
CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000090923052	661808262	/nfs/dbraw/zinc/80/82/62/661808262.db2.gz	SJGCIIHTXOAPCR-ZETCQYMHSA-N	-1	0	355.419	-0.784	10	0		FBAERM
CCc1ncc(CN2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cn1	ZINC000091625218	657403234	/nfs/dbraw/zinc/40/32/34/657403234.db2.gz	CXHYKYCTCHRYND-KGLIPLIRSA-N	-1	0	368.459	-0.203	10	0		FBAERM
Cc1cnc(C(=O)N2CCN(CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cn1	ZINC000092077971	661814499	/nfs/dbraw/zinc/81/44/99/661814499.db2.gz	FZZNIXHYUFAEIT-OLZOCXBDSA-N	-1	0	368.415	-0.817	10	0		FBAERM
Cc1cccc(CCN2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)n1	ZINC000095501717	661825732	/nfs/dbraw/zinc/82/57/32/661825732.db2.gz	SLEGIAVTUUVSQX-LSDHHAIUSA-N	-1	0	353.444	-0.200	10	0		FBAERM
Cc1nc(CCNC(=O)c2cc(=O)n(C)c(=O)n2C)sc1C(=O)[O-]	ZINC000095526079	661826133	/nfs/dbraw/zinc/82/61/33/661826133.db2.gz	BRJCGUSOUNOHNC-UHFFFAOYSA-N	-1	0	352.372	-0.480	10	0		FBAERM
CC1(C)O[C@@H]2[C@@H]([C@H](O)C(=O)[O-])O[C@@H](n3cnc4c3ncnc4N)[C@@H]2O1	ZINC000095936360	483824171	/nfs/dbraw/zinc/82/41/71/483824171.db2.gz	IUCFFHJCDZLYLH-HRYDXZTJSA-N	-1	0	351.319	-0.729	10	0		FBAERM
CC1(C)O[C@@H]2[C@@H]([C@@H](O)C(=O)[O-])O[C@@H](n3cnc4c3ncnc4N)[C@@H]2O1	ZINC000095936361	483824038	/nfs/dbraw/zinc/82/40/38/483824038.db2.gz	IUCFFHJCDZLYLH-ZTVJRRTOSA-N	-1	0	351.319	-0.729	10	0		FBAERM
CNc1nc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)cs1	ZINC000096130905	661832211	/nfs/dbraw/zinc/83/22/11/661832211.db2.gz	VTXBLQFCOUTZCN-NOZJJQNGSA-N	-1	0	360.461	-0.037	10	0		FBAERM
Cc1ccn(CCC(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)n1	ZINC000096136312	658124746	/nfs/dbraw/zinc/12/47/46/658124746.db2.gz	WHRROTKCQSXALX-IUODEOHRSA-N	-1	0	370.431	-0.614	10	0		FBAERM
[NH3+][C@H](CS[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O)C(=O)[O-]	ZINC000096304967	222113035	/nfs/dbraw/zinc/11/30/35/222113035.db2.gz	DIBPFKNCNFEEQV-SCZZXKLOSA-N	-1	0	354.340	-0.133	10	0		FBAERM
Nc1ccc(C(=O)NCCS(=O)(=O)CCOS(=O)(=O)[O-])cc1	ZINC000096341607	222116741	/nfs/dbraw/zinc/11/67/41/222116741.db2.gz	ULQNNRMRJIVSDR-UHFFFAOYSA-N	-1	0	352.390	-0.767	10	0		FBAERM
CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000098090389	222228796	/nfs/dbraw/zinc/22/87/96/222228796.db2.gz	JJPMVRHZSQGALO-BFVZDQMLSA-N	-1	0	365.386	-0.467	10	0		FBAERM
CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000098090390	209206745	/nfs/dbraw/zinc/20/67/45/209206745.db2.gz	JJPMVRHZSQGALO-RBZYPMLTSA-N	-1	0	365.386	-0.467	10	0		FBAERM
NC(=O)C[C@@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)[O-]	ZINC000098092064	222228948	/nfs/dbraw/zinc/22/89/48/222228948.db2.gz	SAYGRVJKBKWLHI-SNVBAGLBSA-N	-1	0	354.340	-0.130	10	0		FBAERM
CC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)CC1	ZINC000101442432	209226533	/nfs/dbraw/zinc/22/65/33/209226533.db2.gz	NCWSEWGIQDQRFH-ZDUSSCGKSA-N	-1	0	361.354	-0.114	10	0		FBAERM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2nnc(C)s2)C1=O)C(=O)[O-]	ZINC000101463346	222275330	/nfs/dbraw/zinc/27/53/30/222275330.db2.gz	FXPSKPOALIKLCY-YUMQZZPRSA-N	-1	0	358.401	-0.199	10	0		FBAERM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2nnc(C)s2)C1=O)C(=O)[O-]	ZINC000101463350	222275636	/nfs/dbraw/zinc/27/56/36/222275636.db2.gz	FXPSKPOALIKLCY-SFYZADRCSA-N	-1	0	358.401	-0.199	10	0		FBAERM
O=C1Nc2ccccc2/C1=c1\[nH]c(=O)/c(=C2/C(=O)Nc3ccccc32)[nH]c1=O	ZINC000101624763	209227881	/nfs/dbraw/zinc/22/78/81/209227881.db2.gz	LDPXVHACSXEGHP-VMNXYWKNSA-N	-1	0	372.340	-0.635	10	0		FBAERM
[NH3+][C@@H](CS[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O)C(=O)[O-]	ZINC000102309534	209234324	/nfs/dbraw/zinc/23/43/24/209234324.db2.gz	QHIIHUKGSFONFJ-WPRPVWTQSA-N	-1	0	354.340	-0.133	10	0		FBAERM
[NH3+][C@H](CS[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O)C(=O)[O-]	ZINC000102309536	222293866	/nfs/dbraw/zinc/29/38/66/222293866.db2.gz	QHIIHUKGSFONFJ-SCZZXKLOSA-N	-1	0	354.340	-0.133	10	0		FBAERM
[NH3+][C@@H](CS[C@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O)C(=O)[O-]	ZINC000102310225	222294202	/nfs/dbraw/zinc/29/42/02/222294202.db2.gz	IXVQDLLDDKRSLC-BQBZGAKWSA-N	-1	0	359.385	-0.453	10	0		FBAERM
O=C([O-])c1cc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)ccc1O	ZINC000102311812	222293945	/nfs/dbraw/zinc/29/39/45/222293945.db2.gz	JYGAXRCVWGDAMZ-ZDUSSCGKSA-N	-1	0	363.370	-0.668	10	0		FBAERM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)cc1O	ZINC000102312112	209234655	/nfs/dbraw/zinc/23/46/55/209234655.db2.gz	POVMIPRJGVKOJM-CYBMUJFWSA-N	-1	0	363.370	-0.668	10	0		FBAERM
O=C([O-])Cc1csc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)n1	ZINC000102312646	222293302	/nfs/dbraw/zinc/29/33/02/222293302.db2.gz	HBAXLCXGZXAALB-NSHDSACASA-N	-1	0	368.415	-0.988	10	0		FBAERM
CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)CC2	ZINC000114871263	243160346	/nfs/dbraw/zinc/16/03/46/243160346.db2.gz	GTBAFTLWMNVCLI-SECBINFHSA-N	-1	0	355.358	-0.490	10	0		FBAERM
CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)CC2	ZINC000114871265	243161979	/nfs/dbraw/zinc/16/19/79/243161979.db2.gz	GTBAFTLWMNVCLI-VIFPVBQESA-N	-1	0	355.358	-0.490	10	0		FBAERM
CCCCc1cn([C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@H]2O)c(=O)nc1N	ZINC000138148235	206133804	/nfs/dbraw/zinc/13/38/04/206133804.db2.gz	CRAQVGQJWSIGOT-DNRKLUKYSA-N	-1	0	361.291	-0.058	10	0		FBAERM
CC1(C)S[C@H]([C@@H]2NC(=O)[C@H](c3ccc(O)cc3)NC2=O)N[C@@H]1C(=O)[O-]	ZINC000247946434	483894086	/nfs/dbraw/zinc/89/40/86/483894086.db2.gz	IIZCCQJEPBWGJU-ICUOPCATSA-N	-1	0	365.411	-0.058	10	0		FBAERM
CCc1oc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-]	ZINC000261662514	243281604	/nfs/dbraw/zinc/28/16/04/243281604.db2.gz	ODLPKZGSGVTDPD-SECBINFHSA-N	-1	0	372.399	-0.085	10	0		FBAERM
CCc1oc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1C(=O)[O-]	ZINC000261662518	243280495	/nfs/dbraw/zinc/28/04/95/243280495.db2.gz	ODLPKZGSGVTDPD-VIFPVBQESA-N	-1	0	372.399	-0.085	10	0		FBAERM
CC[C@H](C)[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C(=O)[O-]	ZINC000261780174	535959075	/nfs/dbraw/zinc/95/90/75/535959075.db2.gz	PZSJKNVICZHDIF-GWCFXTLKSA-N	-1	0	365.452	-0.564	10	0		FBAERM
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000261798230	243287548	/nfs/dbraw/zinc/28/75/48/243287548.db2.gz	ZQCLMIULTUGZLW-LLVKDONJSA-N	-1	0	359.408	-0.817	10	0		FBAERM
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000261798235	535299851	/nfs/dbraw/zinc/29/98/51/535299851.db2.gz	ZQCLMIULTUGZLW-NSHDSACASA-N	-1	0	359.408	-0.817	10	0		FBAERM
CCN1CCN(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(=O)C1=O	ZINC000261899158	535653079	/nfs/dbraw/zinc/65/30/79/535653079.db2.gz	AEDZGPDAPIOFLR-RKDXNWHRSA-N	-1	0	365.308	-0.601	10	0		FBAERM
O=C([O-])[C@H]1CC[C@@H]1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000262005047	243291960	/nfs/dbraw/zinc/29/19/60/243291960.db2.gz	DXXUNTOYMRAXAX-KBPBESRZSA-N	-1	0	359.382	-0.014	10	0		FBAERM
O=C([O-])[C@H]1CC[C@H]1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000262005052	243291543	/nfs/dbraw/zinc/29/15/43/243291543.db2.gz	DXXUNTOYMRAXAX-KGLIPLIRSA-N	-1	0	359.382	-0.014	10	0		FBAERM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000262005055	243290911	/nfs/dbraw/zinc/29/09/11/243290911.db2.gz	DXXUNTOYMRAXAX-UONOGXRCSA-N	-1	0	359.382	-0.014	10	0		FBAERM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000262005058	243292563	/nfs/dbraw/zinc/29/25/63/243292563.db2.gz	DXXUNTOYMRAXAX-ZIAGYGMSSA-N	-1	0	359.382	-0.014	10	0		FBAERM
COC[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262028777	243293463	/nfs/dbraw/zinc/29/34/63/243293463.db2.gz	AMZMNIUBQNJARO-AMIZOPFISA-N	-1	0	363.392	-0.436	10	0		FBAERM
COC[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262028781	536804308	/nfs/dbraw/zinc/80/43/08/536804308.db2.gz	AMZMNIUBQNJARO-ISVAXAHUSA-N	-1	0	363.392	-0.436	10	0		FBAERM
COC[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262028783	243295955	/nfs/dbraw/zinc/29/59/55/243295955.db2.gz	AMZMNIUBQNJARO-OQPBUACISA-N	-1	0	363.392	-0.436	10	0		FBAERM
COC[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262028786	243296062	/nfs/dbraw/zinc/29/60/62/243296062.db2.gz	AMZMNIUBQNJARO-SDBXPKJASA-N	-1	0	363.392	-0.436	10	0		FBAERM
CCS(=O)(=O)N(C)CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000262069370	243295413	/nfs/dbraw/zinc/29/54/13/243295413.db2.gz	IKDZEZXQRAUMID-UHFFFAOYSA-N	-1	0	363.436	-0.951	10	0		FBAERM
CCS(=O)(=O)N(C)CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000262070374	243293629	/nfs/dbraw/zinc/29/36/29/243293629.db2.gz	IPLHCFZSCUKUBD-UHFFFAOYSA-N	-1	0	371.415	-0.350	10	0		FBAERM
COc1cc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])ccc1OCC(N)=O	ZINC000262081415	243298391	/nfs/dbraw/zinc/29/83/91/243298391.db2.gz	AZGZACCYOINAAU-GHMZBOCLSA-N	-1	0	352.343	-0.127	10	0		FBAERM
COc1cc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])ccc1OCC(N)=O	ZINC000262081417	243296603	/nfs/dbraw/zinc/29/66/03/243296603.db2.gz	AZGZACCYOINAAU-MNOVXSKESA-N	-1	0	352.343	-0.127	10	0		FBAERM
COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])ccc1OCC(N)=O	ZINC000262081418	536891395	/nfs/dbraw/zinc/89/13/95/536891395.db2.gz	AZGZACCYOINAAU-QWRGUYRKSA-N	-1	0	352.343	-0.127	10	0		FBAERM
COc1cc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1OCC(N)=O	ZINC000262081419	536891068	/nfs/dbraw/zinc/89/10/68/536891068.db2.gz	AZGZACCYOINAAU-WDEREUQCSA-N	-1	0	352.343	-0.127	10	0		FBAERM
CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000262088141	243297420	/nfs/dbraw/zinc/29/74/20/243297420.db2.gz	GAYWJVJQUNGXBM-UHFFFAOYSA-N	-1	0	357.388	-0.279	10	0		FBAERM
CC(C)CS(=O)(=O)CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262110424	243298234	/nfs/dbraw/zinc/29/82/34/243298234.db2.gz	FKPQMIFPWHASOJ-GFCCVEGCSA-N	-1	0	362.448	-0.161	10	0		FBAERM
CC(C)CS(=O)(=O)CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262110427	243297627	/nfs/dbraw/zinc/29/76/27/243297627.db2.gz	FKPQMIFPWHASOJ-LBPRGKRZSA-N	-1	0	362.448	-0.161	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262113945	243297380	/nfs/dbraw/zinc/29/73/80/243297380.db2.gz	OORXMAFYTWKWAY-AMIZOPFISA-N	-1	0	361.376	-0.682	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262113946	243297511	/nfs/dbraw/zinc/29/75/11/243297511.db2.gz	OORXMAFYTWKWAY-ISVAXAHUSA-N	-1	0	361.376	-0.682	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262113947	243297315	/nfs/dbraw/zinc/29/73/15/243297315.db2.gz	OORXMAFYTWKWAY-OQPBUACISA-N	-1	0	361.376	-0.682	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262113948	243297495	/nfs/dbraw/zinc/29/74/95/243297495.db2.gz	OORXMAFYTWKWAY-SDBXPKJASA-N	-1	0	361.376	-0.682	10	0		FBAERM
CCS(=O)(=O)N(C)CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262129756	243299809	/nfs/dbraw/zinc/29/98/09/243299809.db2.gz	HJIIBCNWCMAOOH-LLVKDONJSA-N	-1	0	363.436	-0.951	10	0		FBAERM
CCS(=O)(=O)N(C)CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262129757	243299054	/nfs/dbraw/zinc/29/90/54/243299054.db2.gz	HJIIBCNWCMAOOH-NSHDSACASA-N	-1	0	363.436	-0.951	10	0		FBAERM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000262130789	243301112	/nfs/dbraw/zinc/30/11/12/243301112.db2.gz	KIGIJVCLUPYVKV-GWCFXTLKSA-N	-1	0	361.354	-0.220	10	0		FBAERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000262130791	536818335	/nfs/dbraw/zinc/81/83/35/536818335.db2.gz	KIGIJVCLUPYVKV-GXFFZTMASA-N	-1	0	361.354	-0.220	10	0		FBAERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000262130793	536760526	/nfs/dbraw/zinc/76/05/26/536760526.db2.gz	KIGIJVCLUPYVKV-MFKMUULPSA-N	-1	0	361.354	-0.220	10	0		FBAERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000262130796	243300430	/nfs/dbraw/zinc/30/04/30/243300430.db2.gz	KIGIJVCLUPYVKV-ZWNOBZJWSA-N	-1	0	361.354	-0.220	10	0		FBAERM
CC(=O)NCCNC(=O)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000262135078	243298931	/nfs/dbraw/zinc/29/89/31/243298931.db2.gz	GTOIAJFVNKIQGF-NXEZZACHSA-N	-1	0	367.324	-0.260	10	0		FBAERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CNS(=O)(=O)CCOC(C)C)C1	ZINC000262137975	243298969	/nfs/dbraw/zinc/29/89/69/243298969.db2.gz	LLDOCALNFWGCJZ-GHMZBOCLSA-N	-1	0	352.409	-0.969	10	0		FBAERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CNS(=O)(=O)CCOC(C)C)C1	ZINC000262137978	536760337	/nfs/dbraw/zinc/76/03/37/536760337.db2.gz	LLDOCALNFWGCJZ-MNOVXSKESA-N	-1	0	352.409	-0.969	10	0		FBAERM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CNS(=O)(=O)CCOC(C)C)C1	ZINC000262137983	243300487	/nfs/dbraw/zinc/30/04/87/243300487.db2.gz	LLDOCALNFWGCJZ-QWRGUYRKSA-N	-1	0	352.409	-0.969	10	0		FBAERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CNS(=O)(=O)CCOC(C)C)C1	ZINC000262137986	536818481	/nfs/dbraw/zinc/81/84/81/536818481.db2.gz	LLDOCALNFWGCJZ-WDEREUQCSA-N	-1	0	352.409	-0.969	10	0		FBAERM
COC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000262156610	243300141	/nfs/dbraw/zinc/30/01/41/243300141.db2.gz	SANYPRQNCPZOFU-HTQZYQBOSA-N	-1	0	362.326	-0.079	10	0		FBAERM
Cn1c(=O)ccn(CC(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1=O	ZINC000262159976	243299377	/nfs/dbraw/zinc/29/93/77/243299377.db2.gz	PKVHRLGWRHGHSP-GFCCVEGCSA-N	-1	0	365.317	-0.666	10	0		FBAERM
Cn1c(=O)ccn(CC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c1=O	ZINC000262159979	243300524	/nfs/dbraw/zinc/30/05/24/243300524.db2.gz	PKVHRLGWRHGHSP-LBPRGKRZSA-N	-1	0	365.317	-0.666	10	0		FBAERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000262169599	243304101	/nfs/dbraw/zinc/30/41/01/243304101.db2.gz	QJNFVDUZXDGHST-GHMZBOCLSA-N	-1	0	355.372	-0.816	10	0		FBAERM
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000262169603	536760238	/nfs/dbraw/zinc/76/02/38/536760238.db2.gz	QJNFVDUZXDGHST-MNOVXSKESA-N	-1	0	355.372	-0.816	10	0		FBAERM
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000262169606	243302212	/nfs/dbraw/zinc/30/22/12/243302212.db2.gz	QJNFVDUZXDGHST-QWRGUYRKSA-N	-1	0	355.372	-0.816	10	0		FBAERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1	ZINC000262169609	243301765	/nfs/dbraw/zinc/30/17/65/243301765.db2.gz	QJNFVDUZXDGHST-WDEREUQCSA-N	-1	0	355.372	-0.816	10	0		FBAERM
COc1cc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)ccc1OCC(N)=O	ZINC000262172293	243304002	/nfs/dbraw/zinc/30/40/02/243304002.db2.gz	FFSFUYDAKOBSKR-NOZJJQNGSA-N	-1	0	352.343	-0.127	10	0		FBAERM
COc1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1OCC(N)=O	ZINC000262172296	243304075	/nfs/dbraw/zinc/30/40/75/243304075.db2.gz	FFSFUYDAKOBSKR-RNCFNFMXSA-N	-1	0	352.343	-0.127	10	0		FBAERM
CNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])ccc1OC	ZINC000262185724	243302854	/nfs/dbraw/zinc/30/28/54/243302854.db2.gz	SSTUWNVXSBLWBM-GHMZBOCLSA-N	-1	0	372.399	-0.083	10	0		FBAERM
CNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])ccc1OC	ZINC000262185728	243302650	/nfs/dbraw/zinc/30/26/50/243302650.db2.gz	SSTUWNVXSBLWBM-MNOVXSKESA-N	-1	0	372.399	-0.083	10	0		FBAERM
CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])ccc1OC	ZINC000262185731	243302947	/nfs/dbraw/zinc/30/29/47/243302947.db2.gz	SSTUWNVXSBLWBM-QWRGUYRKSA-N	-1	0	372.399	-0.083	10	0		FBAERM
CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1OC	ZINC000262185734	243301794	/nfs/dbraw/zinc/30/17/94/243301794.db2.gz	SSTUWNVXSBLWBM-WDEREUQCSA-N	-1	0	372.399	-0.083	10	0		FBAERM
O=C([O-])c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)o1	ZINC000262195110	243304233	/nfs/dbraw/zinc/30/42/33/243304233.db2.gz	NVXBHIFLZUBHSM-UHFFFAOYSA-N	-1	0	373.387	-0.687	10	0		FBAERM
O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)o1	ZINC000262215338	243304215	/nfs/dbraw/zinc/30/42/15/243304215.db2.gz	UQHNBGDNYJCSST-UHFFFAOYSA-N	-1	0	363.326	-0.589	10	0		FBAERM
Cc1noc(COCC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000262228132	243306612	/nfs/dbraw/zinc/30/66/12/243306612.db2.gz	SBGAICAIGOMRPH-LLVKDONJSA-N	-1	0	354.363	-0.324	10	0		FBAERM
Cc1noc(COCC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000262228134	243304993	/nfs/dbraw/zinc/30/49/93/243304993.db2.gz	SBGAICAIGOMRPH-NSHDSACASA-N	-1	0	354.363	-0.324	10	0		FBAERM
CC(=O)NCCN(C(=O)CCn1nc2ccccn2c1=O)[C@H](C)C(=O)[O-]	ZINC000262248652	534420507	/nfs/dbraw/zinc/42/05/07/534420507.db2.gz	QBVYLBSETKNDIG-LLVKDONJSA-N	-1	0	363.374	-0.676	10	0		FBAERM
CC(=O)NCCN(C(=O)CCn1nc2ccccn2c1=O)[C@@H](C)C(=O)[O-]	ZINC000262248654	534420260	/nfs/dbraw/zinc/42/02/60/534420260.db2.gz	QBVYLBSETKNDIG-NSHDSACASA-N	-1	0	363.374	-0.676	10	0		FBAERM
CN(C)C(=O)CN1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1	ZINC000262254545	243306054	/nfs/dbraw/zinc/30/60/54/243306054.db2.gz	DYUHSWBYAXRDJQ-UHFFFAOYSA-N	-1	0	362.430	-0.190	10	0		FBAERM
COCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262266799	243308868	/nfs/dbraw/zinc/30/88/68/243308868.db2.gz	GAAGIVLNTDJZKX-PSASIEDQSA-N	-1	0	363.392	-0.436	10	0		FBAERM
COCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262266802	243308664	/nfs/dbraw/zinc/30/86/64/243308664.db2.gz	GAAGIVLNTDJZKX-SCZZXKLOSA-N	-1	0	363.392	-0.436	10	0		FBAERM
COCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262266804	243308290	/nfs/dbraw/zinc/30/82/90/243308290.db2.gz	GAAGIVLNTDJZKX-WCBMZHEXSA-N	-1	0	363.392	-0.436	10	0		FBAERM
COCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262266806	243309008	/nfs/dbraw/zinc/30/90/08/243309008.db2.gz	GAAGIVLNTDJZKX-WPRPVWTQSA-N	-1	0	363.392	-0.436	10	0		FBAERM
CCCC[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000262269191	243308392	/nfs/dbraw/zinc/30/83/92/243308392.db2.gz	HZPYOKDNJARSAX-JTQLQIEISA-N	-1	0	365.390	-0.417	10	0		FBAERM
CCCC[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000262269194	534909632	/nfs/dbraw/zinc/90/96/32/534909632.db2.gz	HZPYOKDNJARSAX-SNVBAGLBSA-N	-1	0	365.390	-0.417	10	0		FBAERM
CC(=O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000262274433	243308731	/nfs/dbraw/zinc/30/87/31/243308731.db2.gz	XGDJYCJVTXKKAL-JTQLQIEISA-N	-1	0	373.387	-0.617	10	0		FBAERM
CC(=O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000262274435	243308374	/nfs/dbraw/zinc/30/83/74/243308374.db2.gz	XGDJYCJVTXKKAL-SNVBAGLBSA-N	-1	0	373.387	-0.617	10	0		FBAERM
CCC[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C(=O)[O-]	ZINC000262288410	243307853	/nfs/dbraw/zinc/30/78/53/243307853.db2.gz	AZFYDVSTFSWABW-JTQLQIEISA-N	-1	0	351.425	-0.810	10	0		FBAERM
CCC[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C(=O)[O-]	ZINC000262288414	243307969	/nfs/dbraw/zinc/30/79/69/243307969.db2.gz	AZFYDVSTFSWABW-SNVBAGLBSA-N	-1	0	351.425	-0.810	10	0		FBAERM
CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-]	ZINC000262300050	534922139	/nfs/dbraw/zinc/92/21/39/534922139.db2.gz	PYIQWSBHCALHCK-MRVPVSSYSA-N	-1	0	361.376	-0.584	10	0		FBAERM
CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)C(=O)[O-]	ZINC000262300051	535054079	/nfs/dbraw/zinc/05/40/79/535054079.db2.gz	PYIQWSBHCALHCK-QMMMGPOBSA-N	-1	0	361.376	-0.584	10	0		FBAERM
CN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1=O	ZINC000262301949	243307751	/nfs/dbraw/zinc/30/77/51/243307751.db2.gz	PQMXSHVVUADJEA-PHDIDXHHSA-N	-1	0	351.237	-0.872	10	0		FBAERM
CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-]	ZINC000262304120	534921254	/nfs/dbraw/zinc/92/12/54/534921254.db2.gz	QYLNOUGKBVLOLE-UONOGXRCSA-N	-1	0	355.435	-0.073	10	0		FBAERM
CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)[O-]	ZINC000262304121	534917439	/nfs/dbraw/zinc/91/74/39/534917439.db2.gz	QYLNOUGKBVLOLE-ZIAGYGMSSA-N	-1	0	355.435	-0.073	10	0		FBAERM
NS(=O)(=O)N1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	ZINC000262313440	243311085	/nfs/dbraw/zinc/31/10/85/243311085.db2.gz	QOMVRPMZUGTBCU-RKDXNWHRSA-N	-1	0	373.353	-0.377	10	0		FBAERM
CCCC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-]	ZINC000262321061	243310775	/nfs/dbraw/zinc/31/07/75/243310775.db2.gz	VUEJCGZFKXLBLC-SECBINFHSA-N	-1	0	351.363	-0.807	10	0		FBAERM
CCCC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)[O-]	ZINC000262321064	535051362	/nfs/dbraw/zinc/05/13/62/535051362.db2.gz	VUEJCGZFKXLBLC-VIFPVBQESA-N	-1	0	351.363	-0.807	10	0		FBAERM
O=C([O-])c1coc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1	ZINC000262340755	243310381	/nfs/dbraw/zinc/31/03/81/243310381.db2.gz	CNRHLVCXRPNGII-UHFFFAOYSA-N	-1	0	363.326	-0.589	10	0		FBAERM
CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)Cn1ccc(=O)n(C)c1=O	ZINC000262356473	243312384	/nfs/dbraw/zinc/31/23/84/243312384.db2.gz	CHROTSORMPXVNK-GFCCVEGCSA-N	-1	0	355.391	-0.477	10	0		FBAERM
CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)Cn1ccc(=O)n(C)c1=O	ZINC000262356476	535512897	/nfs/dbraw/zinc/51/28/97/535512897.db2.gz	CHROTSORMPXVNK-LBPRGKRZSA-N	-1	0	355.391	-0.477	10	0		FBAERM
CCCN(CC(=O)[O-])C(=O)CCS(=O)(=O)NCC(=O)NC(C)C	ZINC000262358559	243314265	/nfs/dbraw/zinc/31/42/65/243314265.db2.gz	ICVWSTQTZBCWFX-UHFFFAOYSA-N	-1	0	351.425	-0.856	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCSCC(=O)[O-]	ZINC000262380155	243313388	/nfs/dbraw/zinc/31/33/88/243313388.db2.gz	IGPCHGAGFODFSL-MRVPVSSYSA-N	-1	0	365.433	-0.108	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCSCC(=O)[O-]	ZINC000262380156	243314163	/nfs/dbraw/zinc/31/41/63/243314163.db2.gz	IGPCHGAGFODFSL-QMMMGPOBSA-N	-1	0	365.433	-0.108	10	0		FBAERM
CCC[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000262403466	243316371	/nfs/dbraw/zinc/31/63/71/243316371.db2.gz	VVBIWBQEECEPOK-SECBINFHSA-N	-1	0	351.363	-0.807	10	0		FBAERM
CCC[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000262403469	243316789	/nfs/dbraw/zinc/31/67/89/243316789.db2.gz	VVBIWBQEECEPOK-VIFPVBQESA-N	-1	0	351.363	-0.807	10	0		FBAERM
C[C@](O)(CNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000262408173	243316859	/nfs/dbraw/zinc/31/68/59/243316859.db2.gz	OWFLIXOTMJTGQZ-IZHWHUGBSA-N	-1	0	357.384	-0.093	10	0		FBAERM
C[C@@](O)(CNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000262408174	243316266	/nfs/dbraw/zinc/31/62/66/243316266.db2.gz	OWFLIXOTMJTGQZ-MYYSRTQBSA-N	-1	0	357.384	-0.093	10	0		FBAERM
C[C@](O)(CNC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000262408175	243315371	/nfs/dbraw/zinc/31/53/71/243315371.db2.gz	OWFLIXOTMJTGQZ-OWJWWREXSA-N	-1	0	357.384	-0.093	10	0		FBAERM
C[C@@](O)(CNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000262408176	243316327	/nfs/dbraw/zinc/31/63/27/243316327.db2.gz	OWFLIXOTMJTGQZ-OYLFLEFRSA-N	-1	0	357.384	-0.093	10	0		FBAERM
O=C([O-])C1(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCC1	ZINC000262419725	243316725	/nfs/dbraw/zinc/31/67/25/243316725.db2.gz	APEPEOZIRMRACS-UHFFFAOYSA-N	-1	0	365.386	-0.549	10	0		FBAERM
COCCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C	ZINC000262425929	243316026	/nfs/dbraw/zinc/31/60/26/243316026.db2.gz	NTRUNDFAMXITEE-SECBINFHSA-N	-1	0	363.392	-0.482	10	0		FBAERM
COCCN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C	ZINC000262425930	243316363	/nfs/dbraw/zinc/31/63/63/243316363.db2.gz	NTRUNDFAMXITEE-VIFPVBQESA-N	-1	0	363.392	-0.482	10	0		FBAERM
CCOC(=O)c1c[n-]nc1S(=O)(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1	ZINC000262456690	243318298	/nfs/dbraw/zinc/31/82/98/243318298.db2.gz	IAVRKCXCMOXKEJ-UHFFFAOYSA-N	-1	0	374.419	-0.198	10	0		FBAERM
CC(C)CS(=O)(=O)CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000262482402	243320710	/nfs/dbraw/zinc/32/07/10/243320710.db2.gz	DONPPWVZXFSMAY-UHFFFAOYSA-N	-1	0	362.448	-0.161	10	0		FBAERM
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262525746	243323044	/nfs/dbraw/zinc/32/30/44/243323044.db2.gz	OPWHZEFHBNEUAE-RMLUDKJBSA-N	-1	0	355.372	-0.935	10	0		FBAERM
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262525753	243323232	/nfs/dbraw/zinc/32/32/32/243323232.db2.gz	OPWHZEFHBNEUAE-RTHLEPHNSA-N	-1	0	355.372	-0.935	10	0		FBAERM
C[C@](O)(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000262530207	243324072	/nfs/dbraw/zinc/32/40/72/243324072.db2.gz	PJIDAHYFFGTKGI-DOMZBBRYSA-N	-1	0	356.400	-0.209	10	0		FBAERM
C[C@@](O)(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000262530213	243323440	/nfs/dbraw/zinc/32/34/40/243323440.db2.gz	PJIDAHYFFGTKGI-IUODEOHRSA-N	-1	0	356.400	-0.209	10	0		FBAERM
C[C@@](O)(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000262530220	243322746	/nfs/dbraw/zinc/32/27/46/243322746.db2.gz	PJIDAHYFFGTKGI-SWLSCSKDSA-N	-1	0	356.400	-0.209	10	0		FBAERM
C[C@](O)(CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000262530222	243323649	/nfs/dbraw/zinc/32/36/49/243323649.db2.gz	PJIDAHYFFGTKGI-WFASDCNBSA-N	-1	0	356.400	-0.209	10	0		FBAERM
Cc1nc([C@@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)sc1C(=O)[O-]	ZINC000262539556	243324050	/nfs/dbraw/zinc/32/40/50/243324050.db2.gz	KSLPLFSDPZNTFH-MRVPVSSYSA-N	-1	0	352.372	-0.112	10	0		FBAERM
Cc1nc([C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)sc1C(=O)[O-]	ZINC000262539557	243323185	/nfs/dbraw/zinc/32/31/85/243323185.db2.gz	KSLPLFSDPZNTFH-QMMMGPOBSA-N	-1	0	352.372	-0.112	10	0		FBAERM
CCCC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000262554166	535050727	/nfs/dbraw/zinc/05/07/27/535050727.db2.gz	UNRUMQCKPCTIMZ-VIFPVBQESA-N	-1	0	351.363	-0.807	10	0		FBAERM
CC(C)C[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C(=O)[O-]	ZINC000262617891	243329728	/nfs/dbraw/zinc/32/97/28/243329728.db2.gz	CBHGKPYEVYGXBK-LLVKDONJSA-N	-1	0	365.452	-0.564	10	0		FBAERM
CC(C)C[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C(=O)[O-]	ZINC000262617892	243328025	/nfs/dbraw/zinc/32/80/25/243328025.db2.gz	CBHGKPYEVYGXBK-NSHDSACASA-N	-1	0	365.452	-0.564	10	0		FBAERM
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262623289	243329747	/nfs/dbraw/zinc/32/97/47/243329747.db2.gz	DAQPQUOFBJJIQB-LLVKDONJSA-N	-1	0	363.436	-0.856	10	0		FBAERM
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262623295	243328149	/nfs/dbraw/zinc/32/81/49/243328149.db2.gz	DAQPQUOFBJJIQB-NSHDSACASA-N	-1	0	363.436	-0.856	10	0		FBAERM
CC(=O)NCC(=O)NCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1	ZINC000262627111	534323244	/nfs/dbraw/zinc/32/32/44/534323244.db2.gz	NTWNITPEHJOWJX-UHFFFAOYSA-N	-1	0	361.398	-0.116	10	0		FBAERM
O=C([O-])c1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1	ZINC000262633795	243328003	/nfs/dbraw/zinc/32/80/03/243328003.db2.gz	OWAKXCPHTZIFPA-UHFFFAOYSA-N	-1	0	374.353	-0.787	10	0		FBAERM
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000262666541	243330990	/nfs/dbraw/zinc/33/09/90/243330990.db2.gz	NRXHQWQQOMGOBS-LLVKDONJSA-N	-1	0	363.436	-0.714	10	0		FBAERM
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262666542	243332331	/nfs/dbraw/zinc/33/23/31/243332331.db2.gz	NRXHQWQQOMGOBS-NSHDSACASA-N	-1	0	363.436	-0.714	10	0		FBAERM
CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)[C@H](C)COC)CC1	ZINC000262675660	243331008	/nfs/dbraw/zinc/33/10/08/243331008.db2.gz	AGGBWKNNWHHUER-LLVKDONJSA-N	-1	0	350.437	-0.004	10	0		FBAERM
CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)[C@@H](C)COC)CC1	ZINC000262675663	243331838	/nfs/dbraw/zinc/33/18/38/243331838.db2.gz	AGGBWKNNWHHUER-NSHDSACASA-N	-1	0	350.437	-0.004	10	0		FBAERM
O=C([O-])Cn1cc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)nn1	ZINC000262685951	243332505	/nfs/dbraw/zinc/33/25/05/243332505.db2.gz	AODLNNQURXDZFA-GFCCVEGCSA-N	-1	0	364.406	-0.093	10	0		FBAERM
O=C([O-])Cn1cc(CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)nn1	ZINC000262685953	243330848	/nfs/dbraw/zinc/33/08/48/243330848.db2.gz	AODLNNQURXDZFA-LBPRGKRZSA-N	-1	0	364.406	-0.093	10	0		FBAERM
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262693718	243331940	/nfs/dbraw/zinc/33/19/40/243331940.db2.gz	CWLLRUKJERFCKM-GFCCVEGCSA-N	-1	0	373.435	-0.427	10	0		FBAERM
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262693720	243331082	/nfs/dbraw/zinc/33/10/82/243331082.db2.gz	CWLLRUKJERFCKM-LBPRGKRZSA-N	-1	0	373.435	-0.427	10	0		FBAERM
CCn1c(=O)[nH]c2cc(C(=O)NCc3cn(CC(=O)[O-])nn3)ccc2c1=O	ZINC000262694069	535990837	/nfs/dbraw/zinc/99/08/37/535990837.db2.gz	CZRXNCRFKNGEJX-UHFFFAOYSA-N	-1	0	372.341	-0.272	10	0		FBAERM
CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)Cc2cnn(C)c2)CC1	ZINC000262729394	243334153	/nfs/dbraw/zinc/33/41/53/243334153.db2.gz	APFGZKUGCWQUAZ-UHFFFAOYSA-N	-1	0	372.447	-0.310	10	0		FBAERM
CCS(=O)(=O)N1CCC(N(CC(=O)[O-])C(=O)COCCOC)CC1	ZINC000262730356	243335260	/nfs/dbraw/zinc/33/52/60/243335260.db2.gz	AUYANZSTOITHPP-UHFFFAOYSA-N	-1	0	366.436	-0.623	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000262738064	243335327	/nfs/dbraw/zinc/33/53/27/243335327.db2.gz	IXBXOSSNJJWFNW-AMIZOPFISA-N	-1	0	363.367	-0.017	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000262738065	243334491	/nfs/dbraw/zinc/33/44/91/243334491.db2.gz	IXBXOSSNJJWFNW-ISVAXAHUSA-N	-1	0	363.367	-0.017	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000262738067	243335334	/nfs/dbraw/zinc/33/53/34/243335334.db2.gz	IXBXOSSNJJWFNW-OQPBUACISA-N	-1	0	363.367	-0.017	10	0		FBAERM
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000262738068	243334677	/nfs/dbraw/zinc/33/46/77/243334677.db2.gz	IXBXOSSNJJWFNW-SDBXPKJASA-N	-1	0	363.367	-0.017	10	0		FBAERM
CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)CCc2ccco2)CCO1	ZINC000262744838	243335703	/nfs/dbraw/zinc/33/57/03/243335703.db2.gz	AKNRFAOTAQNRMB-CYBMUJFWSA-N	-1	0	374.415	-0.214	10	0		FBAERM
CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)CCc2ccco2)CCO1	ZINC000262744840	243335179	/nfs/dbraw/zinc/33/51/79/243335179.db2.gz	AKNRFAOTAQNRMB-ZDUSSCGKSA-N	-1	0	374.415	-0.214	10	0		FBAERM
O=C([O-])Cn1cc(CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)nn1	ZINC000262772337	243336885	/nfs/dbraw/zinc/33/68/85/243336885.db2.gz	HMOJEQPUILWRMY-UHFFFAOYSA-N	-1	0	372.341	-0.928	10	0		FBAERM
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000262779102	243337562	/nfs/dbraw/zinc/33/75/62/243337562.db2.gz	XNFRZFYEXLCQPC-LBPRGKRZSA-N	-1	0	351.425	-0.954	10	0		FBAERM
O=C([O-])Cn1cc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)nn1	ZINC000262780453	243336455	/nfs/dbraw/zinc/33/64/55/243336455.db2.gz	IYVZVQXAVJEYOK-UHFFFAOYSA-N	-1	0	357.326	-0.335	10	0		FBAERM
CCOc1ccc(C(=O)NCC(=O)NCc2cn(CC(=O)[O-])nn2)cc1	ZINC000262782978	243338067	/nfs/dbraw/zinc/33/80/67/243338067.db2.gz	JHEBHYNHUJGRBG-UHFFFAOYSA-N	-1	0	361.358	-0.192	10	0		FBAERM
Cn1c(=O)ccn(CC(=O)NCCc2ccc(OCC(=O)[O-])cc2)c1=O	ZINC000262789793	243336678	/nfs/dbraw/zinc/33/66/78/243336678.db2.gz	OCKXQFFDEFXLJS-UHFFFAOYSA-N	-1	0	361.354	-0.631	10	0		FBAERM
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262798216	243337942	/nfs/dbraw/zinc/33/79/42/243337942.db2.gz	MBNOEKZIZHUWDD-MRVPVSSYSA-N	-1	0	373.416	-0.593	10	0		FBAERM
C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262798217	243338374	/nfs/dbraw/zinc/33/83/74/243338374.db2.gz	MBNOEKZIZHUWDD-QMMMGPOBSA-N	-1	0	373.416	-0.593	10	0		FBAERM
C[C@@H](C(=O)NCc1cn(CC(=O)[O-])nn1)n1nnc(-c2ccccc2)n1	ZINC000262801619	243337252	/nfs/dbraw/zinc/33/72/52/243337252.db2.gz	MNIZPUWUHQSWPT-JTQLQIEISA-N	-1	0	356.346	-0.106	10	0		FBAERM
C[C@H](C(=O)NCc1cn(CC(=O)[O-])nn1)n1nnc(-c2ccccc2)n1	ZINC000262801623	243338295	/nfs/dbraw/zinc/33/82/95/243338295.db2.gz	MNIZPUWUHQSWPT-SNVBAGLBSA-N	-1	0	356.346	-0.106	10	0		FBAERM
CN(C)C(=O)COc1ccccc1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262803627	243338259	/nfs/dbraw/zinc/33/82/59/243338259.db2.gz	MXDYRRVWZYYQCC-UHFFFAOYSA-N	-1	0	361.358	-0.240	10	0		FBAERM
CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262809928	536119153	/nfs/dbraw/zinc/11/91/53/536119153.db2.gz	NZOMPKSNLOVAQS-UHFFFAOYSA-N	-1	0	373.416	-0.396	10	0		FBAERM
CCO[C@@H]1C[C@](NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)[O-])C1(C)C	ZINC000262812241	535537038	/nfs/dbraw/zinc/53/70/38/535537038.db2.gz	OGEOPCMQZYHPOM-HWPZZCPQSA-N	-1	0	353.375	-0.678	10	0		FBAERM
CCO[C@H]1C[C@@](NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)[O-])C1(C)C	ZINC000262812243	243337214	/nfs/dbraw/zinc/33/72/14/243337214.db2.gz	OGEOPCMQZYHPOM-MGPLVRAMSA-N	-1	0	353.375	-0.678	10	0		FBAERM
CCO[C@H]1C[C@](NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)[O-])C1(C)C	ZINC000262812245	243337002	/nfs/dbraw/zinc/33/70/02/243337002.db2.gz	OGEOPCMQZYHPOM-QFYYESIMSA-N	-1	0	353.375	-0.678	10	0		FBAERM
CCO[C@@H]1C[C@@](NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)[O-])C1(C)C	ZINC000262812248	535443375	/nfs/dbraw/zinc/44/33/75/535443375.db2.gz	OGEOPCMQZYHPOM-QLJPJBMISA-N	-1	0	353.375	-0.678	10	0		FBAERM
Cn1c(=O)ccn(CC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1=O	ZINC000262828096	243340062	/nfs/dbraw/zinc/34/00/62/243340062.db2.gz	FQLZNTFGCSTUMM-KBPBESRZSA-N	-1	0	357.366	-0.126	10	0		FBAERM
Cn1c(=O)ccn(CC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1=O	ZINC000262828100	243340753	/nfs/dbraw/zinc/34/07/53/243340753.db2.gz	FQLZNTFGCSTUMM-ZIAGYGMSSA-N	-1	0	357.366	-0.126	10	0		FBAERM
CCO[C@@H]1C[C@@](NC(=O)c2cn(CC(=O)N(C)C)nn2)(C(=O)[O-])C1(C)C	ZINC000262838494	535444537	/nfs/dbraw/zinc/44/45/37/535444537.db2.gz	TXVTXXXBFFZURN-BDJLRTHQSA-N	-1	0	367.406	-0.246	10	0		FBAERM
CCO[C@@H]1C[C@](NC(=O)c2cn(CC(=O)N(C)C)nn2)(C(=O)[O-])C1(C)C	ZINC000262838495	243340310	/nfs/dbraw/zinc/34/03/10/243340310.db2.gz	TXVTXXXBFFZURN-BZNIZROVSA-N	-1	0	367.406	-0.246	10	0		FBAERM
CCO[C@H]1C[C@@](NC(=O)c2cn(CC(=O)N(C)C)nn2)(C(=O)[O-])C1(C)C	ZINC000262839139	243339947	/nfs/dbraw/zinc/33/99/47/243339947.db2.gz	TXVTXXXBFFZURN-MEDUHNTESA-N	-1	0	367.406	-0.246	10	0		FBAERM
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COC(=O)CC[C@H](NS(=O)(=O)[N-]C(=O)OC(C)(C)C)C(=O)OC	ZINC000584660528	484620072	/nfs/dbraw/zinc/62/00/72/484620072.db2.gz	QMBFCJPBMGHFFD-QMMMGPOBSA-N	-1	0	354.381	-0.160	10	0		FBAERM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)CCO1	ZINC000681941310	484949962	/nfs/dbraw/zinc/94/99/62/484949962.db2.gz	BWBGYXWMFCDRSI-AWEZNQCLSA-N	-1	0	364.402	-0.078	10	0		FBAERM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccnc(N(C)C)c2)CCO1	ZINC000681941311	484950068	/nfs/dbraw/zinc/95/00/68/484950068.db2.gz	BWBGYXWMFCDRSI-CQSZACIVSA-N	-1	0	364.402	-0.078	10	0		FBAERM
COCCn1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC000886077973	661605220	/nfs/dbraw/zinc/60/52/20/661605220.db2.gz	SMQIPHRVGXYWRR-INIZCTEOSA-N	-1	0	352.391	-0.469	10	0		FBAERM
COCCn1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC000886077974	661605178	/nfs/dbraw/zinc/60/51/78/661605178.db2.gz	SMQIPHRVGXYWRR-MRXNPFEDSA-N	-1	0	352.391	-0.469	10	0		FBAERM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CCO1	ZINC000886084669	661605246	/nfs/dbraw/zinc/60/52/46/661605246.db2.gz	XSMWIPSOMLIRSK-KBPBESRZSA-N	-1	0	355.391	-0.842	10	0		FBAERM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)CCO1	ZINC000886084670	661605261	/nfs/dbraw/zinc/60/52/61/661605261.db2.gz	XSMWIPSOMLIRSK-KGLIPLIRSA-N	-1	0	355.391	-0.842	10	0		FBAERM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)CCO1	ZINC000886084671	661605155	/nfs/dbraw/zinc/60/51/55/661605155.db2.gz	XSMWIPSOMLIRSK-UONOGXRCSA-N	-1	0	355.391	-0.842	10	0		FBAERM
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Cc1nn(C)c(C)c1CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC000886096685	661605122	/nfs/dbraw/zinc/60/51/22/661605122.db2.gz	ITIYZHRSDJGEOP-KRWDZBQOSA-N	-1	0	350.419	-0.033	10	0		FBAERM
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