smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c([O-])c(-n2[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)c(=O)n(C)c1=O	ZINC000001566725	210360560	/nfs/dbraw/zinc/36/05/60/210360560.db2.gz	FFXXBGIOBIOYEN-UHFFFAOYSA-N	-1	0	365.733	-0.428	40	0		FBABRM
CC(=O)N[C@H](CSCN(C)c1nc(N(C)C)nc(N(C)C)n1)C(=O)[O-]	ZINC000001608073	204013255	/nfs/dbraw/zinc/01/32/55/204013255.db2.gz	RBXYQZJGORPFDN-SNVBAGLBSA-N	-1	0	371.467	-0.280	40	0		FBABRM
[NH3+][C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001638013	204014369	/nfs/dbraw/zinc/01/43/69/204014369.db2.gz	ZWQVYZXPYSYPJD-VXGBXAGGSA-N	-1	0	351.359	-0.893	40	0		FBABRM
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001638015	204015433	/nfs/dbraw/zinc/01/54/33/204015433.db2.gz	ZWQVYZXPYSYPJD-NWDGAFQWSA-N	-1	0	351.359	-0.893	40	0		FBABRM
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-]	ZINC000001704128	483397169	/nfs/dbraw/zinc/39/71/69/483397169.db2.gz	MIFYHUACUWQUKT-QSKNDCFUSA-N	-1	0	359.404	-0.800	40	0	in-vivo	FBABRM
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000002384697	484682475	/nfs/dbraw/zinc/68/24/75/484682475.db2.gz	ARQXEQLMMNGFDU-NJURLYQPSA-N	-1	0	352.295	-0.628	40	0		FBABRM
COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]2O)ccc1O	ZINC000003804531	483820885	/nfs/dbraw/zinc/82/08/85/483820885.db2.gz	RAGZUCNPTLULOL-KJJWLSQTSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000003864013	483471857	/nfs/dbraw/zinc/47/18/57/483471857.db2.gz	ARQXEQLMMNGFDU-SRTKAIALSA-N	-1	0	352.295	-0.628	40	0		FBABRM
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-]	ZINC000004096831	484777383	/nfs/dbraw/zinc/77/73/83/484777383.db2.gz	MIFYHUACUWQUKT-GTQWGBSQSA-N	-1	0	359.404	-0.800	40	0	in-vivo	FBABRM
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000004282239	485008501	/nfs/dbraw/zinc/00/85/01/485008501.db2.gz	ARQXEQLMMNGFDU-SQCNAZHOSA-N	-1	0	352.295	-0.628	40	0		FBABRM
COc1ccccc1NC(=O)CSc1nc(O)c(NC(C)=O)c(=O)[n-]1	ZINC000004313506	483409983	/nfs/dbraw/zinc/40/99/83/483409983.db2.gz	FXHGLBOEFVELMK-UHFFFAOYSA-N	-1	0	364.383	-0.116	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@@]1=O	ZINC000004501893	483411029	/nfs/dbraw/zinc/41/10/29/483411029.db2.gz	FCZNNHHXCFARDY-HCSQJCMLSA-N	-1	0	350.396	-0.124	40	0		FBABRM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@@]1=O	ZINC000004501894	263333681	/nfs/dbraw/zinc/33/36/81/263333681.db2.gz	FCZNNHHXCFARDY-KGLRPVCUSA-N	-1	0	350.396	-0.124	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2[S@@]1=O	ZINC000004501895	207023096	/nfs/dbraw/zinc/02/30/96/207023096.db2.gz	FCZNNHHXCFARDY-RRJWCGLDSA-N	-1	0	350.396	-0.124	40	0		FBABRM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2[S@@]1=O	ZINC000004501896	483410937	/nfs/dbraw/zinc/41/09/37/483410937.db2.gz	FCZNNHHXCFARDY-XPDDVULCSA-N	-1	0	350.396	-0.124	40	0		FBABRM
Nc1ncnc2c1nc(Cl)n2[C@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@H]1O	ZINC000004514118	204143099	/nfs/dbraw/zinc/14/30/99/204143099.db2.gz	CLLFEJLEDNXZNR-HFXAWCPLSA-N	-1	0	363.654	-0.164	40	0		FBABRM
Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@H]1O	ZINC000004514121	204143400	/nfs/dbraw/zinc/14/34/00/204143400.db2.gz	CLLFEJLEDNXZNR-FULWYAMNSA-N	-1	0	363.654	-0.164	40	0		FBABRM
Nc1ncnc2c1nc(Cl)n2[C@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC000004514123	207024450	/nfs/dbraw/zinc/02/44/50/207024450.db2.gz	CLLFEJLEDNXZNR-GIMIYPNGSA-N	-1	0	363.654	-0.164	40	0		FBABRM
Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC000004514126	207023702	/nfs/dbraw/zinc/02/37/02/207023702.db2.gz	CLLFEJLEDNXZNR-WUZBBMAGSA-N	-1	0	363.654	-0.164	40	0		FBABRM
O=C([N-][C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccccc1)C(F)(F)F	ZINC000004530820	263333755	/nfs/dbraw/zinc/33/37/55/263333755.db2.gz	ODWVAEKVYDDEDH-QWQWKMKNSA-N	-1	0	365.304	-0.311	40	0		FBABRM
O=C([N-][C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccccc1)C(F)(F)F	ZINC000004530822	263333886	/nfs/dbraw/zinc/33/38/86/263333886.db2.gz	ODWVAEKVYDDEDH-WJTVCTBASA-N	-1	0	365.304	-0.311	40	0		FBABRM
O=C([N-][C@@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@H]1O)C(F)(F)F	ZINC000004530823	263333716	/nfs/dbraw/zinc/33/37/16/263333716.db2.gz	ODWVAEKVYDDEDH-IEECTRCBSA-N	-1	0	365.304	-0.311	40	0		FBABRM
[NH3+][C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545839	483411127	/nfs/dbraw/zinc/41/11/27/483411127.db2.gz	ZWQVYZXPYSYPJD-NEPJUHHUSA-N	-1	0	351.359	-0.893	40	0		FBABRM
[NH3+][C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545840	204145137	/nfs/dbraw/zinc/14/51/37/204145137.db2.gz	ZWQVYZXPYSYPJD-RYUDHWBXSA-N	-1	0	351.359	-0.893	40	0		FBABRM
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]3O)ccc12	ZINC000004557044	483721815	/nfs/dbraw/zinc/72/18/15/483721815.db2.gz	ARQXEQLMMNGFDU-SGPHBRAGSA-N	-1	0	352.295	-0.628	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2[S@@]1=O	ZINC000004713374	206182520	/nfs/dbraw/zinc/18/25/20/206182520.db2.gz	FMUOCDAKZPUAPU-FJEYWBBVSA-N	-1	0	365.411	-0.666	40	0		FBABRM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2[S@@]1=O	ZINC000004713375	484152239	/nfs/dbraw/zinc/15/22/39/484152239.db2.gz	FMUOCDAKZPUAPU-QDPYXSJPSA-N	-1	0	365.411	-0.666	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2[S@@]1=O	ZINC000004713376	484152301	/nfs/dbraw/zinc/15/23/01/484152301.db2.gz	FMUOCDAKZPUAPU-CEZPTFSTSA-N	-1	0	365.411	-0.666	40	0		FBABRM
CC1(C)[C@@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2[S@@]1=O	ZINC000004713377	484153147	/nfs/dbraw/zinc/15/31/47/484153147.db2.gz	FMUOCDAKZPUAPU-YKWZDMTOSA-N	-1	0	365.411	-0.666	40	0		FBABRM
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-]	ZINC000004995219	484300524	/nfs/dbraw/zinc/30/05/24/484300524.db2.gz	MIFYHUACUWQUKT-HLFIEIIFSA-N	-1	0	359.404	-0.800	40	0	in-vitro	FBABRM
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-]	ZINC000004995221	484900641	/nfs/dbraw/zinc/90/06/41/484900641.db2.gz	MIFYHUACUWQUKT-YXYNTAJPSA-N	-1	0	359.404	-0.800	40	0		FBABRM
O=C([O-])CNC(=O)CN1C(=O)C[C@H](NC(=O)OCc2ccccc2)C1=O	ZINC000005028659	483413921	/nfs/dbraw/zinc/41/39/21/483413921.db2.gz	YVYUFBQTSPMVJO-NSHDSACASA-N	-1	0	363.326	-0.759	40	0		FBABRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000005055880	484331007	/nfs/dbraw/zinc/33/10/07/484331007.db2.gz	CVYWDLSWROCWAV-UHFFFAOYSA-N	-1	0	353.356	-0.329	40	0		FBABRM
O=C([O-])CC1(CC(=O)N2CCN3C(=O)N(CCO)C(=O)[C@H]3C2)CCCC1	ZINC000005415798	219676752	/nfs/dbraw/zinc/67/67/52/219676752.db2.gz	XYKDRAKLQLALFB-GFCCVEGCSA-N	-1	0	367.402	-0.121	40	0	biogenic,in-vitro	FBABRM
CSCC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000005459075	204209796	/nfs/dbraw/zinc/20/97/96/204209796.db2.gz	ACGHQVIJJJPPRY-VIFPVBQESA-N	-1	0	363.436	-0.050	40	0		FBABRM
O=S(=O)([N-]C(CO)(CO)CO)c1c(F)c(F)c(F)c(F)c1F	ZINC000005479795	204210618	/nfs/dbraw/zinc/21/06/18/204210618.db2.gz	ZIKSXTHCGSILGW-UHFFFAOYSA-N	-1	0	351.249	-0.624	40	0		FBABRM
Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000005577494	204215813	/nfs/dbraw/zinc/21/58/13/204215813.db2.gz	ARQXEQLMMNGFDU-SSZWKKLZSA-N	-1	0	352.295	-0.628	40	0		FBABRM
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C1=C([O-])OC	ZINC000005660077	484056377	/nfs/dbraw/zinc/05/63/77/484056377.db2.gz	JSLGMRZAPBTPRI-UHFFFAOYSA-N	-1	0	356.283	-0.299	40	0		FBABRM
CSCC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000005714121	210638074	/nfs/dbraw/zinc/63/80/74/210638074.db2.gz	ACGHQVIJJJPPRY-SECBINFHSA-N	-1	0	363.436	-0.050	40	0		FBABRM
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000005724670	207113475	/nfs/dbraw/zinc/11/34/75/207113475.db2.gz	ARQXEQLMMNGFDU-ZHMBSYLPSA-N	-1	0	352.295	-0.628	40	0	in-vitro	FBABRM
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1(C(=O)[N-]C(=O)NC1=O)N1CCC[C@@H]21	ZINC000006885355	483851353	/nfs/dbraw/zinc/85/13/53/483851353.db2.gz	AJZAUELQWCPFGC-SRVKXCTJSA-N	-1	0	368.349	-0.625	40	0		FBABRM
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	ZINC000008076491	483426861	/nfs/dbraw/zinc/42/68/61/483426861.db2.gz	ORIIRLCDJGETQD-AVGNSLFASA-N	-1	0	359.423	-0.760	40	0		FBABRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(N)=O	ZINC000008110803	484406080	/nfs/dbraw/zinc/40/60/80/484406080.db2.gz	JQFPAOBHWMZYJN-UHFFFAOYSA-N	-1	0	353.718	-0.038	40	0		FBABRM
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)[n-]1	ZINC000008652677	207240266	/nfs/dbraw/zinc/24/02/66/207240266.db2.gz	WXSRTFBRJIXEAX-BDXYJKHTSA-N	-1	0	368.209	-0.483	40	0		FBABRM
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)[n-]1	ZINC000008652678	207240725	/nfs/dbraw/zinc/24/07/25/207240725.db2.gz	WXSRTFBRJIXEAX-UUOKFMHZSA-N	-1	0	368.209	-0.483	40	0		FBABRM
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)[n-]1	ZINC000008652679	204338012	/nfs/dbraw/zinc/33/80/12/204338012.db2.gz	WXSRTFBRJIXEAX-FJFJXFQQSA-N	-1	0	368.209	-0.895	40	0		FBABRM
COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]2O)ccc1O	ZINC000012153723	483599209	/nfs/dbraw/zinc/59/92/09/483599209.db2.gz	RAGZUCNPTLULOL-KQJPBSFVSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000013029821	484818813	/nfs/dbraw/zinc/81/88/13/484818813.db2.gz	QDPSCYPVNLTYAK-SNVBAGLBSA-N	-1	0	363.413	-0.042	40	0		FBABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1	ZINC000013029823	484817969	/nfs/dbraw/zinc/81/79/69/484817969.db2.gz	QDPSCYPVNLTYAK-JTQLQIEISA-N	-1	0	363.413	-0.042	40	0		FBABRM
N#Cc1cccc(S(=O)(=O)N(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)c1	ZINC000013030134	484817943	/nfs/dbraw/zinc/81/79/43/484817943.db2.gz	DWMUZYWIEANJCJ-LLVKDONJSA-N	-1	0	358.397	-0.179	40	0		FBABRM
N#Cc1cccc(S(=O)(=O)N(CC(=O)[O-])[C@H]2CCS(=O)(=O)C2)c1	ZINC000013030137	484817808	/nfs/dbraw/zinc/81/78/08/484817808.db2.gz	DWMUZYWIEANJCJ-NSHDSACASA-N	-1	0	358.397	-0.179	40	0		FBABRM
O=[P@]1([O-])OC[C@H]2O[C@@H](n3cnc4c5nccn5cnc43)[C@H](O)[C@@H]2O1	ZINC000013516347	220071290	/nfs/dbraw/zinc/07/12/90/220071290.db2.gz	YQXDYNIFOXNXEP-WOUKDFQISA-N	-1	0	353.231	-0.147	40	0		FBABRM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000016249209	220181735	/nfs/dbraw/zinc/18/17/35/220181735.db2.gz	CHTDWDUTVGOQOR-UHFFFAOYSA-N	-1	0	358.445	-0.325	40	0		FBABRM
CCCC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000017047677	483481292	/nfs/dbraw/zinc/48/12/92/483481292.db2.gz	VTHCVIXENYOZQB-CFVSHZOBSA-N	-1	0	357.432	-0.589	40	0		FBABRM
CC(=O)N[C@@H](CSCN(C)c1nc(N(C)C)nc(N(C)C)n1)C(=O)[O-]	ZINC000017174801	220208770	/nfs/dbraw/zinc/20/87/70/220208770.db2.gz	RBXYQZJGORPFDN-JTQLQIEISA-N	-1	0	371.467	-0.280	40	0		FBABRM
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)[n-]1	ZINC000017175382	211180704	/nfs/dbraw/zinc/18/07/04/211180704.db2.gz	WXSRTFBRJIXEAX-ICKFSKTQSA-N	-1	0	368.209	-0.895	40	0		FBABRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](N2CCN(CCO)CC2)C1=O	ZINC000023476893	211390202	/nfs/dbraw/zinc/39/02/02/211390202.db2.gz	KZHJTNDWPPRZCA-OAHLLOKOSA-N	-1	0	361.398	-0.065	40	0		FBABRM
COC(=O)[C@@H](CO[P@@](=O)([O-])OC[C@H](O)CO)NC(=O)OC(C)(C)C	ZINC000026522642	483502769	/nfs/dbraw/zinc/50/27/69/483502769.db2.gz	VBJSYOZHOZOVOV-RKDXNWHRSA-N	-1	0	373.295	-0.461	40	0		FBABRM
COC(=O)[C@H](CO[P@@](=O)([O-])OC[C@H](O)CO)NC(=O)OC(C)(C)C	ZINC000026522646	483502581	/nfs/dbraw/zinc/50/25/81/483502581.db2.gz	VBJSYOZHOZOVOV-BDAKNGLRSA-N	-1	0	373.295	-0.461	40	0		FBABRM
COc1ccc(/C=C/C(=O)OC2[C@@H](O)CC(O)(C(=O)[O-])C[C@@H]2O)cc1O	ZINC000031155186	206505479	/nfs/dbraw/zinc/50/54/79/206505479.db2.gz	HPBJJSKSRVQRQK-VEHXKUGBSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
COc1ccc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)[O-])C[C@@H]2O)cc1O	ZINC000031155189	483894277	/nfs/dbraw/zinc/89/42/77/483894277.db2.gz	HPBJJSKSRVQRQK-UROYKSDHSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
COc1ccc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)[O-])C[C@H]2O)cc1O	ZINC000031155197	484988171	/nfs/dbraw/zinc/98/81/71/484988171.db2.gz	HPBJJSKSRVQRQK-XQCMRRNBSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
O=C([O-])c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O	ZINC000031157466	484988741	/nfs/dbraw/zinc/98/87/41/484988741.db2.gz	SGTNXGSCHXKQJX-OQAPJDJNSA-N	-1	0	366.322	-0.578	40	0	biogenic,in-vitro	FBABRM
O=C([O-])CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031158287	220635523	/nfs/dbraw/zinc/63/55/23/220635523.db2.gz	OHMWGMHIZWOKHV-USACIQFYSA-N	-1	0	368.338	-0.371	40	0	biogenic,in-vitro	FBABRM
O=C([O-])/C=C/c1ccc2occc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031164241	220634719	/nfs/dbraw/zinc/63/47/19/220634719.db2.gz	CAMYXILYLXYDFE-PJDHSCROSA-N	-1	0	366.322	-0.291	40	0	biogenic,in-vitro	FBABRM
O=C([O-])CNC(=O)CN1C(=O)C[C@@H](NC(=O)OCc2ccccc2)C1=O	ZINC000031672663	483537591	/nfs/dbraw/zinc/53/75/91/483537591.db2.gz	YVYUFBQTSPMVJO-LLVKDONJSA-N	-1	0	363.326	-0.759	40	0		FBABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)nc1C	ZINC000032554018	483561246	/nfs/dbraw/zinc/56/12/46/483561246.db2.gz	AZNVRDPDNWDNRG-UHFFFAOYSA-N	-1	0	360.373	-0.194	40	0		FBABRM
O=C([O-])C[C@@H](CCc1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000040949810	574414815	/nfs/dbraw/zinc/41/48/15/574414815.db2.gz	HRYIDVZLDQBLFF-FPUJXFPJSA-N	-1	0	356.371	-0.721	40	0	endogenous,in-man	FBABRM
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000044170127	208311650	/nfs/dbraw/zinc/31/16/50/208311650.db2.gz	ARQXEQLMMNGFDU-UTHRFFRBSA-N	-1	0	352.295	-0.628	40	0		FBABRM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OCC(=O)[O-]	ZINC000069593090	571156337	/nfs/dbraw/zinc/15/63/37/571156337.db2.gz	WGIVURYDDUMTGJ-GWZLXJJCSA-N	-1	0	369.370	-0.744	40	0		FBABRM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1OCC(=O)[O-]	ZINC000069593095	571156250	/nfs/dbraw/zinc/15/62/50/571156250.db2.gz	WGIVURYDDUMTGJ-WSOGKROESA-N	-1	0	369.370	-0.744	40	0		FBABRM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1OCC(=O)[O-]	ZINC000069593099	571156333	/nfs/dbraw/zinc/15/63/33/571156333.db2.gz	WGIVURYDDUMTGJ-LMLQULGWSA-N	-1	0	369.370	-0.744	40	0		FBABRM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@H]1OCC(=O)[O-]	ZINC000069593103	571156228	/nfs/dbraw/zinc/15/62/28/571156228.db2.gz	WGIVURYDDUMTGJ-BTYMGIQYSA-N	-1	0	369.370	-0.744	40	0		FBABRM
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@H]3O)ccc12	ZINC000071757370	483724712	/nfs/dbraw/zinc/72/47/12/483724712.db2.gz	ARQXEQLMMNGFDU-UTGUJQJDSA-N	-1	0	352.295	-0.628	40	0	in-vitro	FBABRM
CS(=O)(=O)N1CCN2C[C@H](C(=O)[O-])CN(Cc3ccoc3)C[C@@H]2C1	ZINC000096092128	209111192	/nfs/dbraw/zinc/11/11/92/209111192.db2.gz	QAHIIXJYXNEPAD-ZIAGYGMSSA-N	-1	0	357.432	-0.258	40	0		FBABRM
Cn1ccnc1CN1CCC[C@]2(C(=O)[O-])CN(S(C)(=O)=O)C[C@@H]2C1	ZINC000096185198	222071424	/nfs/dbraw/zinc/07/14/24/222071424.db2.gz	OLYPGRVKBKWKJU-WFASDCNBSA-N	-1	0	356.448	-0.022	40	0		FBABRM
COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)[O-])C[C@H]2O)ccc1O	ZINC000100060075	206222073	/nfs/dbraw/zinc/22/20/73/206222073.db2.gz	VTMFDSJJVNQXLT-KSQYBWRXSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
COC(=O)CSc1nn2c([n-]1)nc(CSc1nnnn1C)cc2=O	ZINC000100071846	484257585	/nfs/dbraw/zinc/25/75/85/484257585.db2.gz	ZNHNHWVPLHPSED-UHFFFAOYSA-N	-1	0	368.404	-0.502	40	0		FBABRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H](N2CCN(CCO)CC2)C1=O	ZINC000101274502	222266398	/nfs/dbraw/zinc/26/63/98/222266398.db2.gz	KZHJTNDWPPRZCA-HNNXBMFYSA-N	-1	0	361.398	-0.065	40	0		FBABRM
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CCCN1C21C(=O)[N-]C(=O)NC1=O	ZINC000101647144	222279193	/nfs/dbraw/zinc/27/91/93/222279193.db2.gz	AJZAUELQWCPFGC-UTUOFQBUSA-N	-1	0	368.349	-0.625	40	0		FBABRM
CNC(=O)CN1Cc2c(C(=O)[O-])ncn2-c2ccccc2S1(=O)=O	ZINC000105201479	222366863	/nfs/dbraw/zinc/36/68/63/222366863.db2.gz	CCZYNCLPTNAFIN-UHFFFAOYSA-N	-1	0	350.356	-0.179	40	0		FBABRM
CS(=O)(=O)N1CCN2C[C@H](C(=O)[O-])CN(Cc3ccoc3)C[C@H]2C1	ZINC000107819497	483846130	/nfs/dbraw/zinc/84/61/30/483846130.db2.gz	QAHIIXJYXNEPAD-KGLIPLIRSA-N	-1	0	357.432	-0.258	40	0		FBABRM
CS(=O)(=O)N1CCN2C[C@@H](C(=O)[O-])CN(Cc3ccoc3)C[C@H]2C1	ZINC000107819502	209279815	/nfs/dbraw/zinc/27/98/15/209279815.db2.gz	QAHIIXJYXNEPAD-KBPBESRZSA-N	-1	0	357.432	-0.258	40	0		FBABRM
Cc1nc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)sc1C(=O)N(C)C	ZINC000223284207	483886006	/nfs/dbraw/zinc/88/60/06/483886006.db2.gz	HBXXHECVTNSGDK-UHFFFAOYSA-N	-1	0	359.389	-0.669	40	0		FBABRM
Cc1nc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)sc1C(=O)N(C)C	ZINC000223285515	483885924	/nfs/dbraw/zinc/88/59/24/483885924.db2.gz	PGGGDCQQXVQGAD-UHFFFAOYSA-N	-1	0	373.416	-0.361	40	0		FBABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCOCC2)s1	ZINC000225339787	483893119	/nfs/dbraw/zinc/89/31/19/483893119.db2.gz	WFVSFPDGNFWKHB-UHFFFAOYSA-N	-1	0	363.465	-0.113	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2[S@@]1=O	ZINC000245229778	520648573	/nfs/dbraw/zinc/64/85/73/520648573.db2.gz	FMUOCDAKZPUAPU-LJKAUXDKSA-N	-1	0	365.411	-0.666	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2[S@@]1=O	ZINC000245229779	520649094	/nfs/dbraw/zinc/64/90/94/520649094.db2.gz	FMUOCDAKZPUAPU-QAKIVEDESA-N	-1	0	365.411	-0.666	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2[S@]1=O	ZINC000245229780	520648198	/nfs/dbraw/zinc/64/81/98/520648198.db2.gz	FMUOCDAKZPUAPU-HCEKYPPXSA-N	-1	0	365.411	-0.666	40	0		FBABRM
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2[S@]1=O	ZINC000245229781	520648809	/nfs/dbraw/zinc/64/88/09/520648809.db2.gz	FMUOCDAKZPUAPU-LAKFKYRLSA-N	-1	0	365.411	-0.666	40	0		FBABRM
O=C([O-])COCCOC(=O)[C@H](Cc1ccccc1)NC(=O)COCCO	ZINC000247382421	484180240	/nfs/dbraw/zinc/18/02/40/484180240.db2.gz	JNAOZPPVHXEGPD-AWEZNQCLSA-N	-1	0	369.370	-0.633	40	0		FBABRM
O=C([O-])COCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCO	ZINC000247382427	484180586	/nfs/dbraw/zinc/18/05/86/484180586.db2.gz	JNAOZPPVHXEGPD-CQSZACIVSA-N	-1	0	369.370	-0.633	40	0		FBABRM
CS(=O)(=O)N1CCN2C[C@@H](C(=O)[O-])CN(Cc3ccoc3)C[C@@H]2C1	ZINC000247534658	484182563	/nfs/dbraw/zinc/18/25/63/484182563.db2.gz	QAHIIXJYXNEPAD-UONOGXRCSA-N	-1	0	357.432	-0.258	40	0		FBABRM
C[C@@H]([NH2+]CCCC[C@@H](NC(=O)[C@H](C)O)C(=O)O[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000247944149	484186146	/nfs/dbraw/zinc/18/61/46/484186146.db2.gz	OIKIPCNQUGRWOR-LMLFDSFASA-N	-1	0	362.379	-0.899	40	0		FBABRM
C[C@@H](OC(=O)[C@@H](CCCC[NH2+][C@@H](C)C(=O)[O-])NC(=O)[C@H](C)O)C(=O)[O-]	ZINC000247944153	222956403	/nfs/dbraw/zinc/95/64/03/222956403.db2.gz	OIKIPCNQUGRWOR-UKKRHICBSA-N	-1	0	362.379	-0.899	40	0		FBABRM
C[C@@H]([NH2+]CCCC[C@@H](NC(=O)[C@H](C)O)C(=O)O[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000247944157	222956887	/nfs/dbraw/zinc/95/68/87/222956887.db2.gz	OIKIPCNQUGRWOR-VPOLOUISSA-N	-1	0	362.379	-0.899	40	0		FBABRM
C[C@H](O)C(=O)N[C@H](CCCC[NH2+][C@@H](C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)[O-]	ZINC000247944161	206567160	/nfs/dbraw/zinc/56/71/60/206567160.db2.gz	OIKIPCNQUGRWOR-XWLWVQCSSA-N	-1	0	362.379	-0.899	40	0		FBABRM
COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@@](O)(C(=O)[O-])C[C@@H]2O)cc1O	ZINC000253390527	523399632	/nfs/dbraw/zinc/39/96/32/523399632.db2.gz	HPBJJSKSRVQRQK-KELUSVLXSA-N	-1	0	368.338	-0.343	40	0	biogenic,in-vitro	FBABRM
O=C([O-])C[C@@H](CCc1ccccc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500652	527624687	/nfs/dbraw/zinc/62/46/87/527624687.db2.gz	HRYIDVZLDQBLFF-DWOGQGFVSA-N	-1	0	356.371	-0.721	40	0	endogenous,in-man	FBABRM
O=C([O-])C[C@H](CCc1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500653	527633516	/nfs/dbraw/zinc/63/35/16/527633516.db2.gz	HRYIDVZLDQBLFF-OMDCEGJDSA-N	-1	0	356.371	-0.721	40	0	endogenous,in-man	FBABRM
O=C([O-])C[C@H](CCc1ccccc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500654	527633200	/nfs/dbraw/zinc/63/32/00/527633200.db2.gz	HRYIDVZLDQBLFF-WNCKCILZSA-N	-1	0	356.371	-0.721	40	0	endogenous,in-man	FBABRM
Nc1nc2c(c(N)n1)C[C@@]1(CCCN(C(=O)COCC(=O)[O-])CC1)O2	ZINC000257201332	484264910	/nfs/dbraw/zinc/26/49/10/484264910.db2.gz	AHFXTYLAEVWBLC-HNNXBMFYSA-N	-1	0	351.363	-0.572	40	0		FBABRM
Nc1nc2c(c(N)n1)C[C@]1(CCCN(C(=O)COCC(=O)[O-])CC1)O2	ZINC000257201333	534748304	/nfs/dbraw/zinc/74/83/04/534748304.db2.gz	AHFXTYLAEVWBLC-OAHLLOKOSA-N	-1	0	351.363	-0.572	40	0		FBABRM
O=C([O-])c1ccc(=O)n([C@@H]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)c1	ZINC000257203678	206597948	/nfs/dbraw/zinc/59/79/48/206597948.db2.gz	ARBYHGZFCQFAJX-DMTCVQMQSA-N	-1	0	363.326	-0.893	40	0		FBABRM
Cc1cn([C@@H]2CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000257212125	484264768	/nfs/dbraw/zinc/26/47/68/484264768.db2.gz	CCAXYJQBAQHNNY-DMTCVQMQSA-N	-1	0	369.374	-0.946	40	0		FBABRM
Cc1cn([C@@H]2CC[C@@H](NC(=O)CCCC(=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000257212126	534502952	/nfs/dbraw/zinc/50/29/52/534502952.db2.gz	CCAXYJQBAQHNNY-MHWZDGSBSA-N	-1	0	369.374	-0.946	40	0		FBABRM
Nc1ncnc2c1ncn2[C@H]1C[C@H](n2cc(C(=O)[O-])ccc2=O)[C@@H](CO)O1	ZINC000257330133	223068187	/nfs/dbraw/zinc/06/81/87/223068187.db2.gz	XMZOKLOYNDOMEB-HOSYDEDBSA-N	-1	0	372.341	-0.211	40	0		FBABRM
O=C([O-])c1cccc(O[C@@H]2CN(CC(=O)N3CCOCC3)C[C@H]2O)c1	ZINC000257332375	223069348	/nfs/dbraw/zinc/06/93/48/223069348.db2.gz	XXAGQJOZLXTCJQ-HUUCEWRRSA-N	-1	0	350.371	-0.333	40	0		FBABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@H](n2cc(F)c(=O)[nH]c2=O)C1	ZINC000257341108	526970816	/nfs/dbraw/zinc/97/08/16/526970816.db2.gz	ZIVSKLNBKPBIRZ-NXEZZACHSA-N	-1	0	357.338	-0.277	40	0		FBABRM
O=C([O-])CNc1nc(NCCN2CCOCC2)cc(-c2ccncc2)n1	ZINC000329017848	223128971	/nfs/dbraw/zinc/12/89/71/223128971.db2.gz	NNDQNEMXLCLTDC-UHFFFAOYSA-N	-1	0	358.402	-0.377	40	0		FBABRM
O=C([O-])CNc1nc(NCCN2CCOCC2)cc(-c2cccnc2)n1	ZINC000329045502	484114149	/nfs/dbraw/zinc/11/41/49/484114149.db2.gz	TVXRUKSZEHFOQT-UHFFFAOYSA-N	-1	0	358.402	-0.377	40	0		FBABRM
O=C([O-])CNc1nc(NCCN2CCOCC2)cc(-c2ccccn2)n1	ZINC000329050600	484114822	/nfs/dbraw/zinc/11/48/22/484114822.db2.gz	UTOHCMUCDUBTAY-UHFFFAOYSA-N	-1	0	358.402	-0.377	40	0		FBABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)ccc1OCC(N)=O	ZINC000408587902	263476177	/nfs/dbraw/zinc/47/61/77/263476177.db2.gz	AMXCAINUFOVISC-BJMVGYQFSA-N	-1	0	363.326	-0.073	40	0		FBABRM
C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000408720594	483425650	/nfs/dbraw/zinc/42/56/50/483425650.db2.gz	WHESIPFFAUCSPE-DJIHRAIXSA-N	-1	0	354.359	-0.388	40	0		FBABRM
C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000408720595	483425088	/nfs/dbraw/zinc/42/50/88/483425088.db2.gz	WHESIPFFAUCSPE-DNIRFERGSA-N	-1	0	354.359	-0.388	40	0		FBABRM
C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(=O)[O-]	ZINC000408720596	483425259	/nfs/dbraw/zinc/42/52/59/483425259.db2.gz	WHESIPFFAUCSPE-UKJIMTQDSA-N	-1	0	354.359	-0.388	40	0		FBABRM
C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000408720597	483424823	/nfs/dbraw/zinc/42/48/23/483424823.db2.gz	WHESIPFFAUCSPE-URBCHYCLSA-N	-1	0	354.359	-0.388	40	0		FBABRM
CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccc(C(=O)[O-])c3)C2)C1	ZINC000514289546	483886871	/nfs/dbraw/zinc/88/68/71/483886871.db2.gz	NWXVFQLDLHTATL-HZPDHXFCSA-N	-1	0	373.409	-0.123	40	0	biogenic,in-vitro	FBABRM
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccc(C(=O)[O-])c3)C2)C1	ZINC000514289547	263774232	/nfs/dbraw/zinc/77/42/32/263774232.db2.gz	NWXVFQLDLHTATL-JKSUJKDBSA-N	-1	0	373.409	-0.123	40	0	biogenic,in-vitro	FBABRM
O=C([O-])CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575423151	484542777	/nfs/dbraw/zinc/54/27/77/484542777.db2.gz	OMPHDNAVFLRFCO-GHMZBOCLSA-N	-1	0	367.376	-0.941	40	0		FBABRM
O=C([O-])CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575423154	484542353	/nfs/dbraw/zinc/54/23/53/484542353.db2.gz	OMPHDNAVFLRFCO-MNOVXSKESA-N	-1	0	367.376	-0.941	40	0		FBABRM
O=C([O-])CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575423155	484542439	/nfs/dbraw/zinc/54/24/39/484542439.db2.gz	OMPHDNAVFLRFCO-QWRGUYRKSA-N	-1	0	367.376	-0.941	40	0		FBABRM
O=C([O-])CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575423566	484542464	/nfs/dbraw/zinc/54/24/64/484542464.db2.gz	OMPHDNAVFLRFCO-WDEREUQCSA-N	-1	0	367.376	-0.941	40	0		FBABRM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575426028	484545244	/nfs/dbraw/zinc/54/52/44/484545244.db2.gz	LAMCNZOQTHHPMI-BDAKNGLRSA-N	-1	0	369.804	-0.526	40	0		FBABRM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575426029	484545765	/nfs/dbraw/zinc/54/57/65/484545765.db2.gz	LAMCNZOQTHHPMI-DTWKUNHWSA-N	-1	0	369.804	-0.526	40	0		FBABRM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575426030	484545162	/nfs/dbraw/zinc/54/51/62/484545162.db2.gz	LAMCNZOQTHHPMI-IUCAKERBSA-N	-1	0	369.804	-0.526	40	0		FBABRM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575426031	484545094	/nfs/dbraw/zinc/54/50/94/484545094.db2.gz	LAMCNZOQTHHPMI-RKDXNWHRSA-N	-1	0	369.804	-0.526	40	0		FBABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426748	484544870	/nfs/dbraw/zinc/54/48/70/484544870.db2.gz	ZEYLAUPUCAKKQV-GHMZBOCLSA-N	-1	0	363.413	-0.528	40	0		FBABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426749	484544912	/nfs/dbraw/zinc/54/49/12/484544912.db2.gz	ZEYLAUPUCAKKQV-MNOVXSKESA-N	-1	0	363.413	-0.528	40	0		FBABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426750	484545641	/nfs/dbraw/zinc/54/56/41/484545641.db2.gz	ZEYLAUPUCAKKQV-QWRGUYRKSA-N	-1	0	363.413	-0.528	40	0		FBABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426751	484545351	/nfs/dbraw/zinc/54/53/51/484545351.db2.gz	ZEYLAUPUCAKKQV-WDEREUQCSA-N	-1	0	363.413	-0.528	40	0		FBABRM
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(=O)[nH]c3cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000575598468	484194687	/nfs/dbraw/zinc/19/46/87/484194687.db2.gz	FECWRMCLWLJFHA-GOVZDWNOSA-N	-1	0	361.690	-0.542	40	0	in-vitro	FBABRM
CN1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1=O	ZINC000585273132	483829395	/nfs/dbraw/zinc/82/93/95/483829395.db2.gz	QXBXNNXDBYYDAK-MRVPVSSYSA-N	-1	0	369.424	-0.117	40	0		FBABRM
CN1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1=O	ZINC000585273140	483829438	/nfs/dbraw/zinc/82/94/38/483829438.db2.gz	QXBXNNXDBYYDAK-QMMMGPOBSA-N	-1	0	369.424	-0.117	40	0		FBABRM
CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)CCC(=O)[O-])C2)C1	ZINC000604382051	483865742	/nfs/dbraw/zinc/86/57/42/483865742.db2.gz	AZPVLWIUAPAJFD-CYBMUJFWSA-N	-1	0	353.419	-0.369	40	0	biogenic,in-vitro	FBABRM
CC(C)N(C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1	ZINC000663254241	483957292	/nfs/dbraw/zinc/95/72/92/483957292.db2.gz	XBTBGNIVZICVAA-LLVKDONJSA-N	-1	0	351.425	-0.506	40	0		FBABRM
CC(C)N(C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1	ZINC000663254242	483957512	/nfs/dbraw/zinc/95/75/12/483957512.db2.gz	XBTBGNIVZICVAA-NSHDSACASA-N	-1	0	351.425	-0.506	40	0		FBABRM