smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)CNC(=O)[C@H](c1cccc(OC)c1OC)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6547157	SGVOWECLHIVNIQ-NRFANRHFSA-N	555.613	1.904	0	40	KDAB	
O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	103096850	MEBBFPQKQCLUDC-GOSISDBHSA-N	546.639	1.352	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)C[C@H](O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	123306343	TVKZNMSOZWTGQU-ISJHMNPLSA-N	554.633	1.426	0	40	KDAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCCN2CCOCC2)cc1	222939027	PHRMVHMSOSUCIC-QFIPXVFZSA-N	546.690	1.323	0	40	KDAB	
Cc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225626030	JVGVFIDDUGGSQR-UHFFFAOYSA-N	510.638	1.344	0	40	KDAB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@@]56OC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)C[C@@H]5O[C@@H](O)[C@@H]6O	253394134	AJNHZNGIYWGSEM-KTTQCXRFSA-N	542.581	1.404	0	40	KDAB	biogenic,in-vitro
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)[nH]c2c1	257325643	WTUMOXPEGKODMF-KBMIEXCESA-N	520.594	1.884	0	40	KDAB	
O=C(CCN1CCCC1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578855	JQSIVEOTSWECPY-LOSJGSFVSA-N	516.683	1.817	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6905125	HDHLXKMFTPSIKK-FQEVSTJZSA-N	513.576	1.992	0	40	KDAB	
CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12	11866998	ACEFRWYFDOKEAJ-UZTOHYMASA-N	513.591	1.510	0	40	KDAB	biogenic
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1	20465459	BIMCYXIFJMOZHB-CLAROIROSA-N	515.554	1.295	0	40	KDAB	biogenic,in-vitro
COCCN(C(=O)COC(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140448	GROCNQSVPRLMPK-UHFFFAOYSA-N	533.541	1.967	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)NCCCNC(=O)C2)cc1	68604785	JTICEIIGBYJPCL-UHFFFAOYSA-N	536.676	1.011	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O	96021397	JLJHFFHGZDRNFO-RUZDIDTESA-N	563.032	1.801	0	40	KDAB	
Cc1cccnc1N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	97976779	HRSNVYGVZVOCLT-UHFFFAOYSA-N	614.702	1.919	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O	585661908	VNONINPVFQTJOC-KBNWSYQKSA-N	869.055	1.242	0	40	KDAB	biogenic,in-vitro
CC1(C)NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643567990	CUDZTTLDRCAOGY-NOZRDPDXSA-N	563.699	1.792	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1	2037940862	WCRBICRXELMAKR-MUUNZHRXSA-N	542.608	1.963	0	40	KDAB	
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1OC	17434283	YTTBYIGPMXFNNH-HXUWFJFHSA-N	538.601	1.225	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](c2c(OC(C)=O)cc3oc(=O)ccc3c2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70670080	ODBNKIQVXUKUDR-GZCVLSHOSA-N	592.506	1.442	0	40	KDAB	biogenic
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCO2	101264790	FYHBRGDBKLEORK-HXUWFJFHSA-N	547.534	1.912	0	40	KDAB	
C[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	101486010	VDCJZLSXVUKCOD-BHYGNILZSA-N	542.010	1.406	0	40	KDAB	
CCOc1ccc(C(=O)c2ccccc2C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OCC	102798797	HWWARNMGSCQXGE-UHFFFAOYSA-N	544.674	1.965	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	106041661	UXRGMYFQEBYUQU-HYPCABPSSA-N	505.476	1.136	0	40	KDAB	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224372949	QJWCLYYQLCKQAP-UHFFFAOYSA-N	507.590	1.201	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl	260890824	SKMWHCRYBGBCFQ-OAHLLOKOSA-N	534.056	1.949	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCN(C)C1=O	643565825	OJEKTOWGLQUTGI-VXKWHMMOSA-N	509.607	1.311	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573494	WJLNVTFMWFGEAL-SGOMLOLCSA-N	663.772	1.772	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CC(=O)N(Cc2ccccc2)CC1=O	643574597	CSSHYYYRWHHFFU-BHYZAODMSA-N	710.832	1.911	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(O)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582503	DAXPBLSJLCJCEJ-ZEQRLZLVSA-N	536.629	1.127	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@@H](N)Cc1ccccc1)C(=O)O	2037879759	ONSOUEOKOOIBHG-RWUSJYOISA-N	533.025	1.878	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@@H]1CCS(=O)(=O)C1	3393750	CDERZESWMQHRGX-OAQYLSRUSA-N	520.629	1.626	0	40	KDAB	
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1	3807186	NYQPLPNEESYGNO-IBGZPJMESA-N	573.570	1.288	0	40	KDAB	biogenic,investigational
CCOC(=O)c1c(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)sc(C(=O)N(C)C)c1C	12884400	RDQPWZNVBUFJJP-UHFFFAOYSA-N	500.533	1.896	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	20031367	TZIKHEJXJWCRMF-INIZCTEOSA-N	511.622	1.472	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	27082564	FAXGPCHRFPCXOO-HTTVNUKOSA-N	685.904	1.467	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O	96019894	BJCSUCQSIPLGPL-XMMPIXPASA-N	566.995	1.550	0	40	KDAB	
O=C(N[C@@]12[C@@H]3[C@H]4[C@@H]5[C@@H]1[C@H]2[C@@](Br)([C@H]43)C51OCCO1)N[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1	101474124	RCJDUXLRIPBMPW-LUONMZLXSA-N	566.246	1.047	0	40	KDAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4Br)C3=O)CC2)c1	102851438	YZUYOPLSUPWJPN-DEOSSOPVSA-N	577.457	1.952	0	40	KDAB	
COC(=O)[C@@H]1O[C@H](Oc2cc(I)cc(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	106051266	HHCLYQKBEARFJZ-FKAKKMJLSA-N	594.307	1.288	0	40	KDAB	
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCC(F)(F)CC3)N1)[C@@H](O)[C@H]2O	225444289	BZONFBIOSFTCRY-NRTHNPGXSA-N	628.664	1.024	0	40	KDAB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O	242463692	DHQFYEJMFMYGCV-RGBOLSRASA-N	591.786	1.711	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)[C@@]3(C)CO)OC[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	257543932	SOLICHUQXFAOEP-QZISDQJRSA-N	913.108	1.345	0	40	KDAB	biogenic,in-vitro
COc1ncccc1C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O	643580696	NAFBQZKJRPJJFZ-ABYARXGNSA-N	751.882	1.739	0	40	KDAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)N(C)C)c1	9694790	CXLUCRXHKDBECD-UHFFFAOYSA-N	510.638	1.576	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	12880249	YXVRQRMCDKEEOU-DEOSSOPVSA-N	516.576	1.512	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCCOCCOCCOCCOCC2)cc1	39988441	LQXXIAJXXAGNLT-QHCPKHFHSA-N	514.641	1.073	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1OC	70670033	UZZQNHQHEZLKKC-MJGOQNOKSA-N	554.669	1.738	0	40	KDAB	
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CC[C@@H](O)N4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	72131393	AHRNWGXNCFKOII-ZRWQJYFDSA-N	599.688	1.400	0	40	KDAB	in-vitro
CC1(C)NC(=O)N(C[C@H](O)COc2ccc(-c3ccc(OC[C@@H](O)CN4C(=O)NC(C)(C)C4=O)cc3)cc2)C1=O	97999518	DMWTVOZXRFPKEG-PMACEKPBSA-N	554.600	1.494	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	224472966	MXOLBBUXWVQCJL-GOSISDBHSA-N	543.689	1.365	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)cc1	408659515	SSBGDLMMXHQLDZ-KRWDZBQOSA-N	513.503	1.556	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	4461130	QVBZGGOZXMIRMA-PGGUJSHWSA-N	507.568	1.671	0	40	KDAB	
COc1ccc2c(c1)CCc1cnn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c1-2	5410403	SWJRKNKSOYQLAM-BDVBWOLYSA-N	530.530	1.913	0	40	KDAB	
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	14092971	WGSNVNIRTKAVBP-RUZDIDTESA-N	512.588	1.602	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712226	VOEBONRNAWTOGV-LBRNTXKHSA-N	564.617	1.451	0	40	KDAB	biogenic
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1	77301899	OVOPSQNVVWGEQG-RTCYWULBSA-N	599.044	1.805	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	113490820	KNQPSXXYALIUKS-UHFFFAOYSA-N	540.664	1.584	0	40	KDAB	
COc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c(OC)cc1Cl	224252481	QLKRGJAPAIRSJH-UHFFFAOYSA-N	550.055	1.569	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2)cc1	408650481	AZHLSUWUSJDAOF-QGZVFWFLSA-N	513.503	1.556	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O	1547138087	ULGZDMOVFRHVEP-WMDMHDFQSA-N	733.937	1.786	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4cccnc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548889018	DWTFTRRXIBGAEE-RPWUZVMVSA-N	566.684	1.540	0	40	KDAB	
CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12	2111514	LCHGMGJQGGYDMD-XHCCPWGMSA-N	513.591	1.429	0	40	KDAB	biogenic
CN(Cc1cnc2nc(N)nc(N)c2n1)c1cc(Cl)c(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1Cl	8628655	WGCHJFVQYMDTAB-GFCCVEGCSA-N	523.337	1.575	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O	23077594	IQKWZTLDKRFLLF-UHFFFAOYSA-N	521.640	1.695	0	40	KDAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1	60263594	UJQSVYRTXDQLPC-UHFFFAOYSA-N	538.604	1.676	0	40	KDAB	
COc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc(OC)c1OC	102871388	LJWGXVBBFPFSQN-RUZDIDTESA-N	546.602	1.903	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(N)n(Cc2ccccc2)c1=O	103128124	JALFSZUZUXRTMY-IBGZPJMESA-N	552.565	1.043	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(N)=O)cc3Br)C2=O)o1	409399135	GBSZIKRPVHAIGT-ACAGNQJTSA-N	508.281	1.794	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565258	FGRQNJWYUWXAIO-GOTSBHOMSA-N	542.608	1.891	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1	1831748	HNHVWECGZJUEIE-GDLUXTLDSA-N	524.576	1.995	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N5CCOCC5)c4)CO[C@H]23)cc1	4147787	MFAIZJKZUFTBAL-MYDTUXCISA-N	528.591	1.296	0	40	KDAB	biogenic,in-vitro
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C	5273601	FAXGPCHRFPCXOO-MGYMUNTPSA-N	685.904	1.467	0	40	KDAB	in-vitro
COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC	6239488	IYPDCILTRIHGKP-UUOWRZLLSA-N	549.588	1.851	0	40	KDAB	
C[C@@]12CC[C@@]3(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@](C)(CO)C[C@H]3C1=CC[C@@H]1[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]3CC[C@]12C	49898836	FZEKJLLBSCAOPU-ZIFCEQGUSA-N	666.849	1.408	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277439	DURWVYJGVQVMMN-DFIYOIEZSA-N	554.604	1.994	0	40	KDAB	
Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224442902	MHWJTMVGCVYREW-UHFFFAOYSA-N	546.067	1.631	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N2CCC[C@H]2C(=O)N1	643572139	PZPUKZCXIBIWBT-HJOGWXRNSA-N	535.645	1.843	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576414	XTAMCUOOVLDEFJ-QYDYLWNGSA-N	648.805	1.544	0	40	KDAB	
CCCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1c(N)n(CCC)c(=O)[nH]c1=O	2660926	DRTCNGJVLYWSQH-UHFFFAOYSA-N	528.031	1.650	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4ncc(Cl)c4C)[C@@H]3SC2)s1	2732740	CMDBCEFATJNRLA-WFASDCNBSA-N	501.015	1.536	0	40	KDAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1	20032215	ORAHQZXBXYXTSY-OAHLLOKOSA-N	502.014	1.713	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1OC	35807557	YWKGSECTELBOFJ-GPNHVJLWSA-N	526.977	1.586	0	40	KDAB	biogenic
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)c2ccccc2F)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551372	HQADNOHBMIYGMC-JWMZNBFRSA-N	512.619	1.705	0	40	KDAB	
CC(C)[C@@H]1OC(=O)C2(C=Cc3ccc4ccc(nc4c3)[C@@H](C)NC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C)NC1=O)COCOC2	1772768821	IVDFPOWAIHEKAG-QTMQCHBFSA-N	593.681	1.998	0	40	KDAB	
CC(=O)O[C@H]1[C@H](C)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5048979	MYVHPLAZTWAKDL-LPUYTWIDSA-N	511.491	1.791	0	40	KDAB	
CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCC2	16020745	RYNCOXCQSCAITC-XBPVFXAYSA-N	522.583	1.604	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	59838471	IHBFALGAWNMEQY-UHFFFAOYSA-N	537.660	1.433	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c(=O)[nH]c1=O	103024729	FSGCWVBZAZBVTE-UHFFFAOYSA-N	532.623	1.693	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216305255	AEDVJDMITHPZNB-PVBJTCARSA-N	525.532	1.506	0	40	KDAB	
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1	224239906	SPMZRTCSQPWQTQ-UHFFFAOYSA-N	523.677	1.982	0	40	KDAB	
CC(=O)N1CCCN(C)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)Cc2ccccc21	643554199	NDZIIJRCCBZQHT-HSZRJFAPSA-N	530.695	1.846	0	40	KDAB	
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643573290	SDMUUVBFTXQYPC-HPKXWHFBSA-N	639.750	1.702	0	40	KDAB	
CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1	224270482	GJXRJRFQUZPTQK-UHFFFAOYSA-N	501.652	1.475	0	40	KDAB	
CN(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	224481287	RMAWSJVDWSBNCY-UHFFFAOYSA-N	547.655	1.676	0	40	KDAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCC(=O)O	409128091	ILKJJAMENOZWPO-VIZOYTHASA-N	515.338	1.816	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	2037940818	IZZSCYDVXHGQTI-PMERELPUSA-N	568.671	1.759	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1cc(Cl)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(Cl)c1	1728420	WTRBJWCGFNGLNY-LBPRGKRZSA-N	523.337	1.575	0	40	KDAB	
COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(C)cc2)cc(OC)c1OC	1815434	BYVYMBSGWAVVPP-QHCPKHFHSA-N	534.447	2.000	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)c(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC)c(OC)c1	1879256	ZOXIYCJHLRJPSU-OCBOALCKSA-N	568.604	1.194	0	40	KDAB	
CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	6074339	SHRUHAPNBPSCFN-QNGWXLTQSA-N	531.587	1.822	0	40	KDAB	
CC(C)CN(C(=O)CCC(=O)OCC(=O)N(C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	24764821	ULBZYGJREBEXRD-UHFFFAOYSA-N	501.584	1.750	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O	70700536	SMEKSEYFODSNDF-BCPWGIMGSA-N	518.570	1.729	0	40	KDAB	biogenic
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	71788392	PCABJSJDUSQDNF-MZBJOSPHSA-N	635.718	1.839	0	40	KDAB	
CCOc1ccc(OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc2ccc(OCC)cc2)cc1	103128227	AOVIEPSZCYBFDR-UHFFFAOYSA-N	532.546	1.261	0	40	KDAB	
COc1ccc(CCc2nnc(S[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3NC(C)=O)n2C)cc1OC	103504986	XYKXKKAJJSYDFW-OJGLOBPSSA-N	608.670	1.366	0	40	KDAB	
COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1S(=O)(=O)N1CCOCC1	140002500	BRLGYGORIOWVNA-IBGZPJMESA-N	546.023	1.535	0	40	KDAB	
C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777408	MBBZRQOJIBSSAP-GOSISDBHSA-N	540.038	1.266	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C	257199108	SKHJNNFXCKTDBG-ORLIZGFOSA-N	708.886	2.000	0	40	KDAB	
O=S(=O)(c1cnc(O)nc1O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1	618256878	NBDZCWHXDFGVIY-UHFFFAOYSA-N	522.937	1.930	0	40	KDAB	
CC(C)N1CCC(CCNC(=O)[C@@H]2CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643577159	GFTWANIBIRNWKY-CPCREDONSA-N	747.942	1.176	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H](OC2CCCCC2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339414	IMCJHVQTBGINBO-NURQPWONSA-N	502.513	1.351	0	40	KDAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1	7059752	DOVNCQAEQONNMA-ABSDTBQOSA-N	517.608	1.491	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(N)n(Cc2ccccc2)c1=O	13017180	HLNJNIPPTXSGJH-UHFFFAOYSA-N	510.503	1.001	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852184	IJVFXIBINJTJGJ-UHFFFAOYSA-N	574.077	1.077	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253400869	MBSCVOBEYHYKMU-MKJAEOQWSA-N	673.771	1.853	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	260855888	FSWXBZMLBJPWAX-QGZVFWFLSA-N	505.593	1.786	0	40	KDAB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)cc1OC	524730858	ZQXXAXNNKBOEQW-UHFFFAOYSA-N	533.603	1.576	0	40	KDAB	biogenic
CCOCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643576628	XNVHSSOIEMLBDU-KCHLEUMXSA-N	637.778	1.827	0	40	KDAB	
Nc1cc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)ccn1	643578026	LORUJVGRLRIXDA-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
CC1(C)C(=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)[C@@]3(C)CC(=O)[C@@]21C	1772591434	BWLJNNFSQWDPOQ-COHUDPMDSA-N	664.833	1.814	0	40	KDAB	
CC(C)[C@H](NC(=O)c1cc(Cl)ccc1OC[C@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O	2037879592	GGBHDJBVBOZDFI-ALALXSPKSA-N	505.999	1.993	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O	2332242343	IAGSHEHQJJTLLR-QCGHIWALSA-N	883.082	1.984	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	6135064	WLYZGKRYLZBQQG-KHUIQGCPSA-N	571.675	1.462	0	40	KDAB	
CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C	12525489	JTVIORFZOPPLPD-UHFFFAOYSA-N	517.583	1.763	0	40	KDAB	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1	14092969	VVBTYXQKDYQUOR-XMMPIXPASA-N	516.576	1.892	0	40	KDAB	
Cc1c(-n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	17595770	BWBJSKIFZULHLL-IBGZPJMESA-N	553.666	1.921	0	40	KDAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O	24770150	GMTDGOBWTSISKK-UHFFFAOYSA-N	535.667	1.993	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](CSC(=O)N(O)c1ccc(Br)cc1)NC(=O)CC[C@@H](N)C(=O)OCC	26387428	PYPKSBBTQSNXLR-CVEARBPZSA-N	577.454	1.333	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O	70707644	IPCNGLXNPBRUGQ-RJGXRXQPSA-N	580.642	1.022	0	40	KDAB	biogenic
Cc1cccc(N2C[C@@H](C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2=O)c1C	103038459	QMHISAKBCYEMLG-FQEVSTJZSA-N	540.665	1.892	0	40	KDAB	
CO[C@H]1C=C2[C@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)[C@H](O)[C@@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12	253532252	NFGQKKGYMKRYEF-QLABSLMASA-N	813.035	1.550	0	40	KDAB	biogenic,in-vitro
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1cnc[nH]1)C2	514287643	SPDIUQPTIZPDDG-QIJYUAQKSA-N	546.628	1.652	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCO[C@H](c3cc(O)n(C)n3)C2)c1	643584778	KCCYESDBKLAWSN-NDIKAFPESA-N	689.851	1.745	0	40	KDAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1	7059805	DOVNCQAEQONNMA-FUHIMQAGSA-N	517.608	1.491	0	40	KDAB	
CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl	12541602	AXECFAYKEOQFEV-NSHDSACASA-N	501.410	1.388	0	40	KDAB	
COc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(OC)c1OC	66167236	MLDQIKNUPTUIEN-UHFFFAOYSA-N	545.536	1.994	0	40	KDAB	
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CC[C@@H](O)N4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	72131391	AHRNWGXNCFKOII-QABMWQEJSA-N	599.688	1.400	0	40	KDAB	in-vitro
Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	100306893	FBPTUDDCVOPFQW-UHFFFAOYSA-N	531.616	1.640	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103053907	REMPRYAZHFFIHY-UHFFFAOYSA-N	560.050	1.399	0	40	KDAB	
COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2=O)cc1OC	103058246	XRFAKDSRPQFJDL-SFHVURJKSA-N	533.603	1.527	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1N1C(=O)CCC1=O	222799732	KFPMTOGQHFFRCQ-UHFFFAOYSA-N	509.562	1.170	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)NCCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1C	575426696	YIBVGCCVWPKSMK-QZTJIDSGSA-N	571.526	1.737	0	40	KDAB	
Cc1cccnc1C(=O)NCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC1=O	643580364	DNQWDXLFWASWFT-QSLMFXOGSA-N	658.756	1.190	0	40	KDAB	
Cc1ccccc1CN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888917	CPCASHKASIYWIN-FTJBHMTQSA-N	584.739	1.889	0	40	KDAB	
COc1ccc([C@@H](c2c(O)n(C)c(S)nc2=O)c2c(O)nc(S)n(C)c2=O)cc1CN1CCCC1	9007772	QMTKZTNPXSKTJA-OAHLLOKOSA-N	517.633	1.647	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCCN1CCOCC1	13624277	VAUOABKPMJLDTJ-SBUREZEXSA-N	500.596	1.733	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OC(C)=O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70672404	UKPWCZKLSZPHDA-STNJJRRMSA-N	585.562	1.648	0	40	KDAB	biogenic
C[C@@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	97981345	ARIOUURTYJYSES-HNNXBMFYSA-N	558.777	1.849	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1	223619253	BHBHCTSNIHKTDJ-UHFFFAOYSA-N	527.621	1.756	0	40	KDAB	
CSc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224483334	XAPQNQQGEUWGFG-UHFFFAOYSA-N	543.689	1.391	0	40	KDAB	
CC(=O)CO[C@]1(COC(C)=O)[C@H]2[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)OC=C[C@H]2[C@H](OC(=O)c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O	250531610	TXTNFCNOFALFTO-HXYMQNADSA-N	850.776	1.192	0	40	KDAB	
CC(=O)N[C@@H](CC[S@](C)=O)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829058	JZTIIXMOXOQOAA-NIVBLSCUSA-N	600.782	1.467	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC	6631470	ZNMNHIYAALUXGR-OAQYLSRUSA-N	541.586	1.996	0	40	KDAB	
CC(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H]([C@H](OC(C)=O)[C@@H](C)OC(C)=O)CN2	8384358	ZJCHEBFBFOKHNK-OHOZJJFFSA-O	563.591	1.388	0	40	KDAB	
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1	14357916	CJKJBMMMYIJJKO-IBGZPJMESA-N	515.588	1.805	0	40	KDAB	
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1	15912131	OPOBZIDCZQVMOR-UHFFFAOYSA-N	515.997	1.958	0	40	KDAB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	77319313	GSKNTGPRELRWGP-RVBRMEHISA-N	510.624	1.484	0	40	KDAB	in-vitro
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3ncccn3)CC2)CC1	102920303	QVHXYFWUHANWIG-UHFFFAOYSA-N	540.650	1.082	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](OC(C)=O)[C@H]1OC(C)=O	245266173	JAFHRXBUMPKHBC-RVDAZCDBSA-N	520.318	1.806	0	40	KDAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)cc1	408667764	KPNLXIFFVYSAKL-KRWDZBQOSA-N	527.530	1.946	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409172011	AURCYKVRVMVPJS-ASZHOJRSSA-N	591.642	1.765	0	40	KDAB	
CCOc1cc(CN(C)C[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585274523	XYOFZXBOPQRUPV-HHHXNRCGSA-N	514.671	1.726	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643566304	WOERQIZUEZURJP-XZOQPEGZSA-N	529.682	1.549	0	40	KDAB	
CN(C)CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643567090	RTNATDGXVOBVRU-VJTSUQJLSA-N	549.672	1.354	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1OC	643569503	HWJOWKAUDPOSJF-YDXRHMNESA-N	657.740	1.036	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Cl	2015690	MCEHFIXEKNKSRW-LBPRGKRZSA-N	523.337	1.575	0	40	KDAB	
COc1cc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc(CN2C(=O)c3ccccc3C2=O)c1OC	3377561	QBTYNBDZAYBQFR-QGZVFWFLSA-N	530.555	1.302	0	40	KDAB	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	95601335	CWVYINXKSHJGFX-JOCHJYFZSA-N	563.698	1.931	0	40	KDAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700764	AOBFAKXGSRAXNG-OAQYLSRUSA-N	533.647	1.656	0	40	KDAB	
O=C1C[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643567141	SLXZHLPTNWXFMO-NHTMILBNSA-N	518.614	1.812	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573207	QKXYMDPRYABCET-DCABOPQKSA-N	664.804	1.256	0	40	KDAB	
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)O[C@@H]1CCC=CCCC1	953097399	TZGDGNPQUCQZSR-JGCGQSQUSA-N	759.891	1.182	0	40	KDAB	
CCOC(=O)CC[C@H](NC(=O)CCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	13152330	MAOXMQLAZLLHCM-HDICACEKSA-N	516.588	1.329	0	40	KDAB	
Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1	19822660	NLNQZVJCPHSKGY-UHFFFAOYSA-N	501.697	1.958	0	40	KDAB	
CCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72140949	KXPGPGKDOQHVRH-UHFFFAOYSA-N	529.553	1.646	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@H](O)CC(=O)O	76945591	QNPQJKICJQEMBY-WSPDZVNNSA-N	671.877	1.077	0	40	KDAB	in-vitro
Cc1c(CCC(=O)NCC(=O)NCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12	97957021	LXPJUQRIWUQBMV-UHFFFAOYSA-N	563.607	1.925	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274617	LLKQJFNDFHFTJU-NDEPHWFRSA-N	549.615	1.777	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OP(=O)(O)O	618072473	LIQODXNTTZAGID-CQSUJDBGSA-N	668.541	1.105	0	40	KDAB	in-vitro
CC(C)NCCOc1ccc(Cl)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879749	NUMVKUQYJDEUPJ-SFTDATJTSA-N	533.025	1.893	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1	13097492	MPIJNXCSWVVJHH-RXVVDRJESA-N	511.597	1.763	0	40	KDAB	
COC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C	103556762	PVXVBVRGZUTEDV-QKLQHJQFSA-N	594.662	1.735	0	40	KDAB	
CC(C)Oc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1	224252730	VDVCTZWJVUTGAG-UHFFFAOYSA-N	513.638	1.685	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O	224485031	RNONGIXFYKWTDT-QGZVFWFLSA-N	529.612	1.196	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225531748	QRVYUTWSUJXTRO-KRWDZBQOSA-N	511.597	1.886	0	40	KDAB	
CC(C)CC(=O)N1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCCOC[C@@H](O)[C@H](O)[C@@H](O)C1	643586427	ADXOLYVLJKINIY-YZUZCNPQSA-N	573.613	1.590	0	40	KDAB	
Cc1cccnc1CN1CCC2(CCOc3cc(-c4ncnn4C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891005	VPLINDPFGCBEBV-GGAORHGYSA-N	581.699	1.243	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	1565538045	IGDRBOZJSYPRRZ-FPDPHYFHSA-N	573.668	1.967	0	40	KDAB	biogenic
CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCNC1=O	2037916319	LOARPFVCPJEICJ-IGVZRYHESA-N	728.847	1.406	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1	1815602	BLWFDBNTGVCNJS-OCBOALCKSA-N	568.604	1.369	0	40	KDAB	
C[C@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	8692899	KDXCANJAXNUASH-QCUIPMNBSA-N	521.617	1.932	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)ccc1OCC(=O)N1CCOCC1	32991104	TVBBMMMONPZDBW-UHFFFAOYSA-N	531.631	1.696	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2)c(=O)n(C)c1=O	103102536	CYWZQBFHPFJLNG-CPJLOUKISA-N	532.619	1.295	0	40	KDAB	
Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)CN2S(C)(=O)=O	224324375	JMQGFQBFGQGNEU-JOCHJYFZSA-N	523.633	1.502	0	40	KDAB	
COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1	1802386	KIDRGWXHRHDOOW-UHFFFAOYSA-N	563.614	1.568	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)c1ccc2c(c1)OCCO2	20037846	BRKHXGYMWPFMGX-UHFFFAOYSA-N	527.621	1.948	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	20237180	DYBVOUOPNMLJGW-UHFFFAOYSA-N	513.594	1.129	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccccc1	100227230	AKBNTCWQSDMOMS-OAHLLOKOSA-N	531.367	1.410	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC[C@]2(C)O)n(C)c1=O	257312826	UPSMZNSVPWDVMR-XDHUDOTRSA-N	547.538	1.807	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O	1565537604	OVMSOCFBDVBLFW-HYBWVAMXSA-N	586.634	1.653	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(F)cc2)CC1	19973388	QSVOVIGTMZDYRD-QHCPKHFHSA-N	507.526	1.940	0	40	KDAB	
CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)sc(C(=O)NC)c1C	32957559	PMMWPHUNLVJYIH-UHFFFAOYSA-N	511.578	1.443	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	59816404	VVNIVZCOTFBJOA-HSZRJFAPSA-N	542.036	1.995	0	40	KDAB	
CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)n1nc(C)c(Cl)c1C	97945440	NXNMTXPUPIYCKG-BTJLNZGRSA-N	527.032	1.159	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c(N)n(Cc2ccccc2)c1=O	97980057	GMYDZJUNRCOHDG-FMIVXFBMSA-N	543.479	1.854	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C(=O)O)CC[C@@]12O	118923251	HIWAUMHEHZRTHX-OQGWKEEASA-N	568.616	1.518	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1	224240748	RAUNJYJRYRYYKX-UHFFFAOYSA-N	501.652	1.594	0	40	KDAB	
CN1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	514287383	QKLQSBGHECRADL-DXLYGPJMSA-N	597.757	1.265	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566123	PKCYNELSRASLEO-VXKWHMMOSA-N	600.598	1.833	0	40	KDAB	
CCCNC(=O)N1CCC2(CCOc3cc(C(C)C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889618	JAOWMVRCRPOMAB-UXHICEINSA-N	522.668	1.787	0	40	KDAB	
CCN(C(=O)CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)[C@@H]1CCS(=O)(=O)C1	2037884824	ONEJODCROGUQOC-ZZXHUEHTSA-N	614.809	1.703	0	40	KDAB	
CN1C(=O)C(C(c2cccc(Br)c2)C2C(=O)N(C)C(=S)N(C)C2=O)C(=O)N(C)C1=S	8983435	KHAMOYOTODFODS-UHFFFAOYSA-N	511.423	1.196	0	40	KDAB	
COc1cc(C(C)=O)ccc1COc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC	12541524	XFOYUSGIPKRYOF-LJQANCHMSA-N	505.545	1.946	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	34633325	ARPVHNFYZHWCNQ-MNVIUDHYSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(CC(=O)N3CCCCC3)CC2)nc1N	71771980	WFBORROFZMTEKR-UHFFFAOYSA-N	509.032	1.688	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1	85643484	TVBJKPLTBPGHDJ-YRLRESSOSA-N	660.669	1.447	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C(=O)OC[C@@]23CC[C@@]4(C)O[C@@H]4[C@@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C\C(=O)OCC[C@H]1C)[C@]3(C)[C@@]21CO1	100623171	JDFKYDYICWYZMF-QLJFLLJJSA-N	560.596	1.953	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1	224446652	OWZSFMBCGUIKIG-UHFFFAOYSA-N	623.491	1.273	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5cccnc5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253398417	HENRTCLMVVRICZ-JGDRUYDSSA-N	575.670	1.834	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	253532145	FNIRVWPHRMMRQI-BAPKHSFOSA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5cncn5)cc4)CO[C@H]23)cc1	4259866	MNYHEHIMXDBZAN-UWHLTILDSA-N	505.495	1.584	0	40	KDAB	biogenic,in-vitro
COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC	6239530	IYPDCILTRIHGKP-MHECFPHRSA-N	549.588	1.851	0	40	KDAB	
Cc1cc(N2C(=O)C[C@H](N3CCC(C4CCN([C@@H]5CC(=O)N(c6cc(C)on6)C5=O)CC4)CC3)C2=O)no1	12363521	OCLAZKRVHDCWIQ-BGYRXZFFSA-N	524.578	1.667	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1	13145781	LDQNHQZJIIIVPA-UHFFFAOYSA-N	500.650	1.962	0	40	KDAB	
CCCCOC(=O)NC(=O)c1cn(CCCOC(=O)NCCCCCCNC(=O)OCCCn2cc(C(=O)NC(=O)OCCCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	95551336	WIHGURALTYKUFI-UHFFFAOYSA-N	794.816	1.213	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	102642654	LNEUAIUQRAFMSN-COPCDDAFSA-N	549.671	1.786	0	40	KDAB	
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103101145	BEJZRNCDCMSRBH-UHFFFAOYSA-N	588.060	1.177	0	40	KDAB	
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O	150345357	VQBTUIJFUPRJOH-LXOXETEGSA-N	857.113	1.786	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1	224442496	KKHZHEKWLNCVLZ-UHFFFAOYSA-N	566.485	1.976	0	40	KDAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	504705268	NEZKPXFSPBYPFW-MKQKURRLSA-N	562.601	1.334	0	40	KDAB	biogenic
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	5273602	FAXGPCHRFPCXOO-DZNUPQDASA-N	685.904	1.467	0	40	KDAB	in-vitro
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	15959686	ZILUMCFGNWJGCM-RLLIMONSSA-N	506.559	1.159	0	40	KDAB	biogenic
CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	30756273	AWMIRYODRYNOLK-UHFFFAOYSA-N	503.562	1.885	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(=O)c2ccc3ccccc3c2O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216306212	YRCXXSRBHWKKJC-HSULDRTQSA-N	517.487	1.358	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	224282317	GUQAHKKGFAHNKT-UHFFFAOYSA-N	511.622	1.538	0	40	KDAB	
COC(=O)[C@H](Oc1cc(OCC(=O)OCC(=O)O)c2c(=O)c(-c3ccc(C)cc3)coc2c1)C(=O)O	263583634	OUXHFPOSYBFSEG-JOCHJYFZSA-N	500.412	1.780	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc3ccccc3c2O)c(N)n(Cc2ccccc2)c1=O	3443529	QKQGBXOGKNFQIY-UHFFFAOYSA-N	517.494	1.712	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1	19941078	NFMUBSTUHRVEOY-HSZRJFAPSA-N	524.626	1.843	0	40	KDAB	
COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1	35529667	SCCFHVYGANHZBI-DOQJBMMISA-N	507.609	1.692	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O	97957503	DHKMYMIJHXNAKC-UHFFFAOYSA-N	544.645	1.528	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(F)c(F)c1F)c(=O)n2Cc1ccccc1	103054376	DWVDJXFYEXNZCU-UHFFFAOYSA-N	545.474	1.654	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1	223221328	AAFLDLFHWIIPHF-LJAQVGFWSA-N	611.717	1.844	0	40	KDAB	
COc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224487385	QGVFJROUEOVLPB-UHFFFAOYSA-N	555.675	1.458	0	40	KDAB	
COc1cc2c(cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2	224497587	LXYNFWRPBDGOJM-UHFFFAOYSA-N	510.634	1.952	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643567000	OMLUJWQGLGCAFK-ABJGWWJUSA-N	610.683	1.428	0	40	KDAB	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCCOCC1	4018365	LHEYSHVCIFZJHZ-ACHIHNKUSA-N	740.942	1.855	0	40	KDAB	
COc1cccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)c1OC	19702895	RMFKOAZRDBNMJJ-MJGOQNOKSA-N	508.575	1.564	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)C(C)C)cc1	102837300	WVXKFQOKRARDFH-OAQYLSRUSA-N	539.632	1.229	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1	102896021	CWARLBSLVQICSP-NRFANRHFSA-N	592.740	1.442	0	40	KDAB	
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	103001001	RYPIGQXYBRNARN-UHFFFAOYSA-N	529.402	1.499	0	40	KDAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1	222966980	WTJPHNVIXCEMPY-QFIPXVFZSA-N	572.728	1.934	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1	260719623	KPGYANAJXHKOLM-DNQXCXABSA-N	517.648	1.822	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	299817796	TUFDSEMWRYIOBO-SWIFBREWSA-N	799.008	1.328	0	40	KDAB	biogenic,in-vitro
COc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408625989	YZCROLMJEULTDV-UHFFFAOYSA-N	507.609	1.746	0	40	KDAB	
Cc1onc(C(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)c1CN(C)C	643565315	CKNFLTMRNUTGGP-LEWJYISDSA-N	500.596	1.130	0	40	KDAB	
CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2C1	643576337	XLJRNRULCIRIEV-UHFFFAOYSA-N	508.685	1.612	0	40	KDAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	12863076	FFYMBAHMSYIJOC-GCJKJVERSA-N	506.669	1.651	0	40	KDAB	biogenic
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1	13523442	SSMZHVYBWAVLIR-UHFFFAOYSA-N	515.997	1.643	0	40	KDAB	
COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C	24746067	UFYLRQWPOSPIBZ-UHFFFAOYSA-N	525.562	1.745	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(S(C)(=O)=O)ccc21	100876541	VZPWENZRYMENOU-FCQUAONHSA-N	537.641	1.805	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253498794	YFGQJKBUXPKSAW-FBGMNWMDSA-N	969.128	1.642	0	40	KDAB	biogenic
CO[C@H]1C[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4[C@H](O)[C@@H](O)[C@]4(C)[C@@H](C(C)=O)CC[C@]54O)C3)C[C@H]2OC)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O	253529812	UPGNUKWUJCJKHN-YHODCXDTSA-N	798.964	1.494	0	40	KDAB	biogenic,in-vitro
O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)O[C@@H](CO)[C@H](O)[C@H]1O	254823554	GWQICLAGXZQERP-VGHCVYDRSA-N	580.542	1.953	0	40	KDAB	
Cc1cn([C@@H]2C[C@@H](CNC(=O)c3cccc(OCCCNC(=O)OC(C)(C)C)c3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257269313	MPLJKGLOVSJJAM-OYNPSCLESA-N	532.594	1.264	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643565617	KZXWHVDFEVZLAX-GOTSBHOMSA-N	540.665	1.314	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC	643568913	OIDUOFCYJJEYMR-ZEQRLZLVSA-N	606.680	1.291	0	40	KDAB	
O=C(c1ccnc(O)c1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580432	IOKCULJPOIZHSK-XZOQPEGZSA-N	512.607	1.746	0	40	KDAB	
COc1ccc([C@H](C(=O)NCCC(C)C)N(CCCO)C(=O)c2snc(C(N)=O)c2N)cc1OC	6134120	WGLWXVWFZLFPIS-LJQANCHMSA-N	507.613	1.570	0	40	KDAB	
O=c1ccc2cc(S(=O)(=O)N3CCCN(S(=O)(=O)c4ccc5oc(=O)ccc5c4)CC3)ccc2o1	8816473	NLIQOIMDNJBWLH-UHFFFAOYSA-N	516.553	1.985	0	40	KDAB	
COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(OC)c1	13129898	DDMYZRIJMFXTPY-UHFFFAOYSA-N	520.608	1.612	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@H]2C1	67902988	DZVIFFMYEULLBY-MQFMYOJZSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1	101008042	ZAEVSQKXFHEPGV-UHFFFAOYSA-N	540.577	1.231	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224484874	PBOLZWRUABBDGL-INIZCTEOSA-N	547.602	1.335	0	40	KDAB	
CS(=O)(=O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253404816	RKFRYFWRSSSAFO-QZWXMGDUSA-N	668.813	1.774	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@@H]5C[C@@H]5O[C@@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O	253534745	VNONINPVFQTJOC-YKYDQMNZSA-N	869.055	1.242	0	40	KDAB	biogenic,in-vitro
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	256119761	VNONINPVFQTJOC-ZRKMERODSA-N	869.055	1.242	0	40	KDAB	
C[C@]1(O)COC2(CCN(C(=O)c3ccc(OCCCN)cc3)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21	257205099	AXQYKONTSMSFRJ-UUOWRZLLSA-N	510.599	1.106	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cncnc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613788	YFSCODFDXQZRKH-PWWKTKHKSA-N	525.631	1.369	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1C	9577519	AUTUUVWONSSMDF-HSZRJFAPSA-N	514.604	1.697	0	40	KDAB	
COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	12427983	MXNNJPAWNWFNJN-PDGQHHTCSA-N	516.539	1.542	0	40	KDAB	biogenic
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	12560431	WROYGNIGFCQRQG-UHFFFAOYSA-N	522.649	1.810	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4ccccc4OC(=O)[C@H]2CS3)cc1	16754236	CHKVPCYBFAIFEC-WMLDXEAASA-N	503.583	1.969	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccncc3)n2CCC)c(=O)[nH]c1=O	23078187	UBNHHVAWBCDFSA-UHFFFAOYSA-N	516.628	1.754	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOC)cc1	100872885	NOFNCBVVNWTTDC-LNVKXUELSA-N	526.662	1.768	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)c2)C[C@H](C)O1	150685721	WHSPVTQWAMOMHP-URSFVKLHSA-N	652.744	1.865	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1	224240226	QCHBVEAWZREAEG-UHFFFAOYSA-N	527.640	1.813	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@]1(O)[C@@H]2OC	249698256	VSUODASNSRJNCP-CQPCIMEMSA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
O=C(CN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)CC1)N1CCOCC1	514382972	ACLFEZMHKSQPGX-UHFFFAOYSA-N	500.669	1.383	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573242	RCICEALUKSSAQX-XTGFQOFXSA-N	690.842	1.791	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	2037940863	WCRBICRXELMAKR-NDEPHWFRSA-N	542.608	1.963	0	40	KDAB	
CCOC(=O)N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	19961767	MVDVNQMCPWNASF-HSZRJFAPSA-N	523.590	1.909	0	40	KDAB	
CCCOc1ccc(/C=c2/s/c(=C\C(=O)OCC)n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1OCC	33491409	LDYUIIROYKVHHJ-YAZMKEHNSA-N	518.632	1.565	0	40	KDAB	
CN1CCN(C(=O)Cc2ccc(-c3nn4c(CC(=O)N5CCN(C)CC5)nnc4s3)cc2Cl)CC1	41126988	PZEQBRCMNVJPID-UHFFFAOYSA-N	517.059	1.139	0	40	KDAB	
CC1(C)NC(=O)N(C[C@H](O)COc2ccc(-c3ccc(OC[C@H](O)CN4C(=O)NC(C)(C)C4=O)cc3)cc2)C1=O	97999516	DMWTVOZXRFPKEG-BGYRXZFFSA-N	554.600	1.494	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(C)cc1	100228102	ACGOGXSZPUJRCQ-INIZCTEOSA-N	545.394	1.718	0	40	KDAB	
COc1ccc(C2=NO[C@H](CO[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1	100230683	IXGOAUDJFVQZQQ-DCXKTVFBSA-N	537.518	1.288	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O	103012327	FJGAUOIRURNIFJ-UHFFFAOYSA-N	591.646	1.988	0	40	KDAB	
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	169301684	MUEUOXPTUMGVJS-BQCKFNBUSA-N	838.985	1.562	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225536953	HKSQFASFUJUQQP-KRWDZBQOSA-N	541.623	1.895	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	226082834	SVXPFSCHERANMP-UHFFFAOYSA-N	560.094	1.787	0	40	KDAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@@H]4C(=O)NC(=S)N(c5ccccc5)C4=O)c(=O)n32)cc1OCC	408939836	UMICQVMORUMNQN-IQUHHMSDSA-N	606.682	1.831	0	40	KDAB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)nn1	409381672	VJNHXXVHTOLQQS-DQEYMECFSA-N	641.542	1.827	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643574615	DRRPSQMRNRNBPJ-HFMPRLQTSA-N	538.601	1.027	0	40	KDAB	
Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC[C@@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc21	2037879924	XQRPPLNHGALTQR-PMERELPUSA-N	560.655	1.783	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2F)CN1C(=O)c1cccn1C)C(N)=O	3839077	MBENWKRJQVRYAE-QSFXBCCZSA-N	504.538	1.724	0	40	KDAB	biogenic,in-vitro
Cn1cccc1C(=O)N[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2C[C@@H](NC(=O)c3cccs3)C[C@H]2C(=O)O)C1	4221505	KBQYLYAXTCCSAU-BLQWBTBKSA-N	613.693	1.161	0	40	KDAB	biogenic,in-vitro
CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	13012111	HYDZKJMYQYFJHZ-UHFFFAOYSA-N	520.656	1.302	0	40	KDAB	
COc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1	19824726	KGTSVAZGTORCCS-UHFFFAOYSA-N	517.696	1.658	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@H](OC(C)=O)[C@H]1OC(C)=O	36416717	JFXMZRLCBGFDRB-BLXXFGQISA-N	501.488	1.653	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Br)c3C)[C@H]2SC1	97945314	POBGHJCKWKQXDA-BLLLJJGKSA-N	523.312	1.193	0	40	KDAB	
Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	101363438	QRJQNNVSPHQUOP-PVPMGCCUSA-N	575.611	1.117	0	40	KDAB	
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1	169723064	GIWDXSHGENFEES-UHFFFAOYSA-N	928.076	1.653	0	40	KDAB	
CC(C)[C@]1(O)NC(=O)[C@H](C[C@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@@H]32)n2c1nc1ccccc1c2=O	252517045	ZCTHXQVUJKDGDA-ZYROZYFVSA-N	503.559	1.201	0	40	KDAB	biogenic,in-vitro
NC(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	408824880	AVXMMHXPUMMXCP-JOCHJYFZSA-N	528.612	1.488	0	40	KDAB	
O=C1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCCCC2)NC(=O)c2cc(Cl)ccc2OCCCCCN1	643570521	DGWIWTQJXBUYKM-FQEVSTJZSA-N	543.086	1.829	0	40	KDAB	
Cn1ccnc1CN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890616	UFQKHIFOBXWTEJ-PKTZIBPZSA-N	566.684	1.540	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccccc3F)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548891350	ZTAIAKBVRWRLMH-GGAORHGYSA-N	584.674	1.679	0	40	KDAB	
CCOC(=O)[C@H](O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1	4683264	IKELOMNOWOLYKT-KZXFCMPVSA-N	510.492	1.391	0	40	KDAB	
O=C(CNc1ccc(N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	101406024	KTURMKIPVGMCEH-UHFFFAOYSA-N	545.662	1.431	0	40	KDAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@@H]54)[C@H]23)cc(OC)c1O	245228894	IHWRBHBKLZOBIG-STPDWVFKSA-N	518.569	1.717	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]45C)[C@@]3(C)CO)OC[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	257543930	SOLICHUQXFAOEP-JATZXSKZSA-N	913.108	1.345	0	40	KDAB	biogenic,in-vitro
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)S(C)(=O)=O	260716930	HAQUIKYJCDSNLI-PKTZIBPZSA-N	505.612	1.952	0	40	KDAB	
CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(CCC(F)(F)F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1	1534612748	KGBVFFAJUZCVTR-VWPQPMDRSA-N	548.628	1.381	0	40	KDAB	
COc1ccc(-c2oc3c(c(O)cc4oc(C(C)(C)OC)cc43)c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1	1565750574	FCQPTLCOIYPKAB-MZUTXMFJSA-N	688.679	1.860	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	6546754	WZGPTCPNFHPWIB-OAQYLSRUSA-N	557.585	1.614	0	40	KDAB	
Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c(=O)n(-c2ccccc2)n1C	12569461	HNSZLPZANHQCBS-UHFFFAOYSA-N	523.537	1.847	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(N)n(Cc2ccccc2)c1=O	97979310	BFLBNXQYCNTHNB-ZHACJKMWSA-N	567.551	1.279	0	40	KDAB	
C[C@H]1Cc2ccc(S(=O)(=O)N3CCOCC3)cc2N1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1	98005219	PQFJQPFCCLCPBU-INIZCTEOSA-N	541.673	1.381	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C(=O)O)CC[C@@]12O	123306849	HIWAUMHEHZRTHX-HRURYCNWSA-N	568.616	1.518	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C	253501971	SKHJNNFXCKTDBG-AVWBUIFBSA-N	708.886	2.000	0	40	KDAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@@]4(C)O	257626171	XQDBHSNYTFRCNJ-MIAYHHPKSA-N	883.853	1.271	0	40	KDAB	biogenic
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ncc[nH]4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	514287378	NASBLINAYFEGIG-GEMTWJNPSA-N	580.686	1.094	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC(=O)N[C@@H](CCC(N)=O)C1=O	643569162	XVMPWIRJUXZYHL-VXKWHMMOSA-N	588.061	1.015	0	40	KDAB	
O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCN(c2ccccc2F)CC1	9434341	YBWJZGOCNUWMEI-UHFFFAOYSA-N	500.552	1.651	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	20031883	RQMMHLVHAFGHPE-LJQANCHMSA-N	525.624	1.564	0	40	KDAB	
COc1cc(C(=O)NCCCN2CCCCC2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	70664541	JBFGPMHGXURSSQ-OVFYEYCDSA-N	622.668	1.763	0	40	KDAB	biogenic
COC(=O)CCCCC(=O)N1CCOCCOCCN(C(=O)CCCCC(=O)OC)CCOCCOCC1	97951431	PMZWKGZPOFCWJG-UHFFFAOYSA-N	546.658	1.190	0	40	KDAB	
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1=O	102896350	LITOKWYTFAGZOM-RUZDIDTESA-N	548.593	1.533	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1S(=O)(=O)N1CCOCC1	103128610	JUWQUXXTHHVHQI-NSYGIPOTSA-N	528.587	1.573	0	40	KDAB	
CNC(=O)CCC(=O)N[C@H]1O[C@H]2CC[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C	104295058	SWJNZTGFSRJUQQ-XUANQMSGSA-N	582.742	1.538	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N[C@@H](Cc2cnc[nH]2)C1=O	643568124	KVWPURGNBRGWIK-ZEQRLZLVSA-N	578.645	1.710	0	40	KDAB	
CC(C)[C@@H]1CC[C@]2(O)COC(=O)[C@@H]2[C@@H]1/C=C(\CO)C(=O)OC[C@@]1(O)CC[C@@H](C(C)C)[C@@H]2C=C(C(=O)O)COC(=O)[C@H]21	1772592005	WHDXIPRXUGLIGZ-GPIHUEETSA-N	578.655	1.632	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6546305	ISSQYYMUBOZMOM-RCZVLFRGSA-N	554.579	1.916	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6546618	FYIDBEPJDPMLNR-HXUWFJFHSA-N	561.642	1.966	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)CC1	9599490	QYQVVEQMPXCTCV-UHFFFAOYSA-N	520.568	1.014	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCCCN1CCOCC1)OCO3	19940503	XLKCLZWVUCRFQC-UHFFFAOYSA-N	531.679	1.378	0	40	KDAB	
CC[C@H](C)N1[C@H]2OC3O[C@@H]4[C@@H](OC3O[C@@H]2N([C@H](C)CC)S1(=O)=O)N([C@@H](C)CC)S(=O)(=O)N4[C@@H](C)CC	98003533	SVAAECYOBWQVFI-APPXITIPSA-N	554.732	1.955	0	40	KDAB	
Cc1nc(N2CCN(C(=O)CNC(=O)CNS(=O)(=O)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3	100340150	FVOUJMMBYVSUCQ-UHFFFAOYSA-N	542.687	1.622	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873621	GTNJXMQYAWLUTA-PBPKIEIKSA-N	582.726	1.926	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O	102805043	PHWAJZBFJSWBIQ-HBMCJLEFSA-N	636.699	1.455	0	40	KDAB	biogenic
Cc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1S(=O)(=O)N1CCN(C)CC1	225661870	JPCWRGYMCMTFJY-UHFFFAOYSA-N	536.661	1.836	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)C2CCC2)CC3=O)CC1	958317793	NXVMJAJHUNOBCQ-ZEQRLZLVSA-N	522.646	1.919	0	40	KDAB	
O=C1C=CCC2(CCN(CC(=O)Nc3cccc(F)c3)CC2)C(=O)NCCNC(=O)c2ccccc2OCCN1	2037879883	VRBSPPXBXCQSCX-UHFFFAOYSA-N	551.619	1.848	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1C(F)(F)F	1728060	ZHVNNTSMRZRPNO-LBPRGKRZSA-N	522.444	1.287	0	40	KDAB	
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc1OC	4789439	JTEDVNFIPPZBEN-UHFFFAOYSA-N	591.690	1.950	0	40	KDAB	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)O)(c2ccccc2)CC1	70704510	YPECUESEJFCLSL-ZWKOTPCHSA-N	534.635	1.302	0	40	KDAB	biogenic
O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CC1	100771514	TWNWNLQUGGAJEQ-YRPNKDGESA-N	565.454	1.473	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226085896	QZBGCPQHPOFORT-UHFFFAOYSA-N	521.661	1.993	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCC1	408693525	YOSYWXDLOHINIU-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575425234	ROPRTGGPFKWAIE-VQTJNVASSA-N	530.690	1.047	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	643567693	QMXWOSNICBNXID-DQEYMECFSA-N	578.597	1.451	0	40	KDAB	
CS(=O)(=O)Nc1ccnn1CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2	643573589	ZBGYJACOASSLRX-UHFFFAOYSA-N	527.603	1.414	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)c1ccc(=O)n(CC(=O)N(C)C)c1)CC2	2037879610	HCORKZKFQNBYPQ-DSNGMDLFSA-N	583.730	1.561	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	13146129	SYACUFUNVRXTRW-NRFANRHFSA-N	523.633	1.898	0	40	KDAB	
CN(C)S(=O)(=O)c1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl	14017283	YRHQCHDZFXVDJQ-UHFFFAOYSA-N	503.986	1.669	0	40	KDAB	
COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(I)cc1)CN=3)C(=O)N2	97952645	LFZAKKWGNXBAJM-MSUUIHNZSA-N	518.336	1.729	0	40	KDAB	
C[C@@H](NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	100869535	JIUQQLFQWGFIKL-LMMOZFOSSA-N	576.628	1.722	0	40	KDAB	
CCOc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)C2=O)cc1	102988060	BWTBLXGECPLKQN-HXUWFJFHSA-N	501.561	1.495	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	247663377	UPADPCUOTDTWHH-RBUPCFJHSA-N	768.982	1.752	0	40	KDAB	biogenic,in-vitro
CN(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)S(C)(=O)=O	260714727	FBKXVQOYTZINBN-DEOSSOPVSA-N	502.637	1.096	0	40	KDAB	
Nc1nc(O)c2ncn([C@@H]3C[C@H]4O[Sn](c5ccccc5)(c5ccccc5)OC[C@@H]4O3)c2n1	263612798	YOHYHZSELJKFII-UCOVVUBWSA-N	538.152	1.074	0	40	KDAB	
CC(=O)O[C@]12CO[C@@H]1C[C@@H](O)[C@]1(C)C(=O)[C@@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C	4262239	YWLXLRUDGLRYDR-SGJNGEONSA-N	544.597	1.082	0	40	KDAB	
COC(=O)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)C1CCCCC1	12490861	QGTFZYKZSXYFIP-UHFFFAOYSA-N	504.613	1.787	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	13148727	QIZPRLBJLWMEMK-UHFFFAOYSA-N	509.606	1.024	0	40	KDAB	
CC(C)CN(C(=O)CCC(=O)OCC(=O)NCCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	15925062	MRZFJYSOKSPHLI-UHFFFAOYSA-N	515.611	1.446	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4ccc(C(F)(F)F)n4)[C@H]3SC2)s1	98045680	HTPRWZYSQLXDQD-BXUZGUMPSA-N	520.540	1.593	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876642	NNXLCFHPWLKFHI-LNVKXUELSA-N	538.629	1.049	0	40	KDAB	
COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	225791166	KTMMAJCFQGUESR-UHFFFAOYSA-N	511.622	1.901	0	40	KDAB	
CS(=O)(=O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253398252	GTJYVRAOLWUMNZ-OAFYVUHTSA-N	557.669	1.224	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]3O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	253529673	LHVARDGCCWIXJA-MMBSOEAGSA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc(C(=O)OC)c1	408592296	JWQBRDAHVFUTNI-UHFFFAOYSA-N	526.951	1.952	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@H](C)O1	643582565	LSCWMZWYALWDLM-JVODISISSA-N	536.629	1.389	0	40	KDAB	
O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643586550	PTBASSQNEAIQMQ-VIJSBHFFSA-N	544.576	1.432	0	40	KDAB	
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CN(C4CCN(CCO)CC4)C3=O)cc2)CC1	675007947	GSGZVVBUUPURET-UHFFFAOYSA-N	515.611	1.605	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1	3356553	OVGSELZJOAPEBR-UHFFFAOYSA-N	551.474	1.654	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C(=O)N1CCCC1	13670931	AVGKCRXDKMBGBV-UHFFFAOYSA-N	507.634	1.935	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	15959568	RSYMITBROVGXDY-WGXFTBGVSA-N	526.977	1.586	0	40	KDAB	biogenic
COC(=O)[C@@]1(Cl)O[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H]1Sc1ccccc1	77269848	UCRSUTGMKNMKAW-OEIHHWEHSA-N	618.057	1.517	0	40	KDAB	in-vitro
COCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc(C(N)=O)c1C	103113433	KMNTYKGZGPDPNZ-UHFFFAOYSA-N	553.615	1.539	0	40	KDAB	
CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C	135671732	SJDDOCKBXFJEJB-UVELEOGVSA-N	509.003	1.852	0	40	KDAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	224457765	VQXARKMGZHUJFJ-KRWDZBQOSA-N	576.093	1.719	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1	224948589	QTCXNCFUNJURPL-UHFFFAOYSA-N	529.662	1.697	0	40	KDAB	
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	225451912	FMVLBMNNXUNVHE-UHFFFAOYSA-N	518.013	1.629	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6547162	IHWHEIPMOOXXJE-NRFANRHFSA-N	571.612	1.917	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1	19818671	ISZFMHKEYCBIHP-IBGZPJMESA-N	504.513	1.578	0	40	KDAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NC(=O)NCc1ccccc1	103057114	PKDYNPYYSJXRHL-UHFFFAOYSA-N	544.630	1.881	0	40	KDAB	
Cc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	103099388	KVXZDXRZBBRHRM-UHFFFAOYSA-N	531.008	1.868	0	40	KDAB	
COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(=O)CO)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O	123278906	UHXRPNKSNMPJSI-QOSOAQSMSA-N	524.651	1.573	0	40	KDAB	
C[C@@H]([C@H](O)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)N1CCC(Cc2ccccc2)CC1	137276304	GXHMRNLUBONADM-NZGFEQQPSA-N	501.576	1.334	0	40	KDAB	
COc1ccc(N(CC(=O)NCCSc2ncn[nH]2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	226012293	NQOFLZJAIQPMSI-UHFFFAOYSA-N	507.594	1.934	0	40	KDAB	
O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccc(OC(=O)C[C@@H]4SC(=O)NC4=O)cc3)c3sc(=O)[nH]c3S[C@H]12	245225851	UHDMFVBATFETCL-ZKPGQUKFSA-N	615.667	1.641	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@@H](O)[C@]12C)C(=O)O	253529822	WIKNHJPJHDNAME-BDWQSZHMSA-N	782.965	1.463	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)c2c(ncn2[C@@H]2CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)C[C@@]2(C)O)n(C)c1=O	257326332	WWVILTRQYFQLTN-SPLOXXLWSA-N	505.457	1.167	0	40	KDAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccs2)(C(F)(F)F)C(=O)N3)cc1OC	1858253	VSUHIAUOHDAOEY-OAQYLSRUSA-N	524.477	1.998	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	4177603	ICWOBLRWDHMGJE-OQCQCTNUSA-N	571.675	1.462	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152293	NRZYCQNTPQAFQE-QGZVFWFLSA-N	547.568	1.384	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc(O)c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N2C)cc1	95548068	TWOWSRSKGJSZHZ-HHFUIDEQSA-N	772.856	1.034	0	40	KDAB	in-vitro
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(I)cc1	102139102	JJOVPOMGAIBSLV-RCCFBDPRSA-N	535.287	1.588	0	40	KDAB	
CCn1cc(C(=O)N2CCN(c3ncccn3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	102920563	BSTZNQIYYDQUBV-UHFFFAOYSA-N	545.069	1.820	0	40	KDAB	
CCSc1ccc2c(cc1=O)[C@H](N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCc1cc(OC)c(OC)c(OC)c1-2	104155483	GQVWLSDYJIVSGP-MZSWWZDSSA-N	549.642	1.228	0	40	KDAB	
C[C@H](N)[C@@H](O)CCCCCCCCCCCCCC[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253612038	TYKXJOPGAYUOGL-YTXAUZKYSA-N	507.709	1.722	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C	257505963	ORKLEZFXASNLFJ-UKEBKTSASA-N	943.996	1.628	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	257549095	TVXISIJXIXGTQS-SHJMJYSXSA-N	869.055	1.594	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409164618	LACKLUYFEWUANC-GVZDMDPYSA-N	621.668	1.773	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CS(=O)(=O)C[C@@H]2N(S(=O)(=O)c2cc(Cl)ccc2C)[C@@H]2CS(=O)(=O)C[C@@H]21	575424993	DFTZJXQYMDPTHN-JVSBHGNQSA-N	643.614	1.637	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1OC	12929098	QIFUXWUIPIKTCN-GOSISDBHSA-N	502.655	1.776	0	40	KDAB	
CCOc1cc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)ccc1O	16040142	GJFXPZKOXXFGFY-MOPGFXCFSA-N	508.575	1.651	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1	35678176	IUTVAJOSFKUTOP-DBASEOGUSA-N	515.386	1.200	0	40	KDAB	
COc1cc(OC)c(OC)cc1CC1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C(=O)N(C)C1=O	70669913	ORSPKOGLIZTSTG-MJGOQNOKSA-N	538.601	1.573	0	40	KDAB	biogenic
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(I)cc1	97986738	BACZETLXMXQASX-MDMHHNQBSA-N	549.314	1.326	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1	100230077	SERTVDGCALBHKI-FQEVSTJZSA-N	523.449	1.172	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	253388523	IPWQJEONCUFCOR-DHYINBOBSA-N	710.821	1.952	0	40	KDAB	
CCC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	253613656	PRGWPEPFIYKYJJ-LKTXNROYSA-N	510.492	1.750	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565887	RDWYFTFBZTYXFP-XZOQPEGZSA-N	540.665	1.266	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643568117	KQJAIQVWUDRNKO-DQEYMECFSA-N	620.707	1.633	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)[C@H]1CN(c3cnccn3)CCO1)CC2	2037879543	COUDFTSFQYUMCH-ZFFYZDHPSA-N	568.719	1.693	0	40	KDAB	
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1	25392011	VMZADIUZEVZPHI-UHFFFAOYSA-N	516.554	1.810	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	38784399	KPSNSENMSBKCPP-HSZRJFAPSA-N	527.025	1.776	0	40	KDAB	
O=C(N[C@@H]1CCS(=O)(=O)C1)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1	98000198	NPSOXMZJKHYXEE-HZPDHXFCSA-N	572.639	1.070	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1	100337138	DZVVFSBUROFASJ-KDYSTLNUSA-N	568.598	1.880	0	40	KDAB	
S=C(Sc1nc(SC(=S)N2CCOCC2)nc(SC(=S)N2CCOCC2)n1)N1CCOCC1	8767972	JSZPBCPRIUJFFB-UHFFFAOYSA-N	564.831	1.999	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16032570	GBHHLVBZMNCURY-AZKGINQHSA-N	506.460	1.563	0	40	KDAB	in-vitro
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940680	PUPRGENMJBERRN-AUSIDOKSSA-N	519.562	1.843	0	40	KDAB	
Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1	96306504	AQUZSXLWSWGRCK-UHFFFAOYSA-N	501.385	1.601	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cccc(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101459117	SSPAAUHWLHOCSS-VYJAJWGXSA-N	561.407	1.819	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)OCCO2	224230532	JUSITHWUTTUUQO-UHFFFAOYSA-N	527.621	1.059	0	40	KDAB	
CCN(C(=O)CN1CCC2(CCCCNC(=O)c3cccc(C)c3OCCCNC2=O)CC1)[C@H]1CCS(=O)(=O)C1	643557208	WSNXNQFITPFRHT-QHCPKHFHSA-N	576.760	1.912	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)COc3ccccc3C(=O)N2)n1	643572374	BTLGSJPWARBYTP-ICPLQIHGSA-N	529.663	1.727	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574828	TUEREDWIPJXHAC-CCNCKIRNSA-N	662.832	1.886	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CCO)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582718	VFLHTZVYVWIGQI-FTJBHMTQSA-N	564.683	1.765	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O	1547138085	ULGZDMOVFRHVEP-GRPCQLQOSA-N	733.937	1.786	0	40	KDAB	
CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl	3380248	DJGZOTGACXONNH-ZETCQYMHSA-N	505.174	1.812	0	40	KDAB	
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](CCCNC(=N)N)C(=O)O)CC1	12296223	KFDGYYKEYONTAZ-NHCUHLMSSA-N	532.642	1.399	0	40	KDAB	biogenic
C/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCCc3ccc(O)c(c3)Oc3ccc(cc3)CCOC(=O)C[C@H]21	67911218	YRQNFHSTTZXQBU-HTVHDVGDSA-N	628.627	1.379	0	40	KDAB	biogenic,in-vitro
C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(N)=O	70665721	GPMQUFLHTOTVNB-IOMROCGXSA-N	605.689	1.534	0	40	KDAB	biogenic
COC(=O)c1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc(C(=O)OC)c1	97980034	KLGHKHYILPKIEG-BDUNBXCCSA-N	553.977	1.973	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	100392844	HRNMOJZLZGYPOJ-SQVSVBCWSA-N	521.651	1.644	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@@H]1c1ccco1	102220669	IACZDTQYYNQNNJ-HXUWFJFHSA-N	553.977	1.982	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl	103122160	MYPOCBQKDHQPSP-GOSISDBHSA-N	555.009	1.651	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(N)n(Cc2ccccc2)c1=O	103128121	JALFSZUZUXRTMY-LJQANCHMSA-N	552.565	1.043	0	40	KDAB	
O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	224471047	BYFCPMCOFDJQBZ-UHFFFAOYSA-N	509.606	1.192	0	40	KDAB	
COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	245230532	UAUWJXZXZBNZOI-XLGIIRLISA-N	571.652	1.884	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(C)C)C(=O)N1CCC[C@H]1C(N)=O	245380287	VOBAMTUXDLOETR-ZPFZUWPUSA-N	571.675	1.462	0	40	KDAB	
CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253400822	LYPXOBZYMNGFNM-WVAUJHLCSA-N	536.629	1.779	0	40	KDAB	
C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	253603711	KRQDMAXNTWLTDZ-CDTDDJAJSA-N	721.929	1.963	0	40	KDAB	endogenous,in-man
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC1=O	643566512	SXVFBGBMGYKZOI-CVDCTZTESA-N	549.628	1.017	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643569515	ZAIOJWMKCDDLJH-QZBIDKIJSA-N	625.723	1.312	0	40	KDAB	
O=C1CN(C(=O)c2cnccn2)Cc2ccccc2OCC=C[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1	958317834	RDWKZBNRIUYBMC-QNWVGRARSA-N	519.602	1.516	0	40	KDAB	
COCCN(C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12908434	OJWXWOMHHYDEEL-UHFFFAOYSA-N	510.591	1.906	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)n1	30752633	JIMJFMNZTBZLQQ-LJQANCHMSA-N	503.562	1.752	0	40	KDAB	
Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1	96021637	VEWJLTJENFIWLR-UHFFFAOYSA-N	538.648	1.989	0	40	KDAB	
O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1	97957223	CURCSRJBTARHQB-KXUMESBHSA-N	548.640	1.850	0	40	KDAB	
COc1ccc(N(CCCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1	223305553	HKCAOIAZGFYQPV-UHFFFAOYSA-N	541.648	1.910	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2	224387069	UDKMZGPASSFOLH-UHFFFAOYSA-N	553.659	1.941	0	40	KDAB	
CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@](C)(O)[C@@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1	257204335	AUBHLNMYEGIAQQ-DCFHFQCYSA-N	521.622	1.912	0	40	KDAB	
Cc1noc(C)c1CN1CCC2(CCOc3cc(-c4ncnn4C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889604	ICFKUAROYRPFJI-IRLDBZIGSA-N	585.687	1.144	0	40	KDAB	
CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1nnnn1-c1ccccc1	9124018	GUPMXEGPSSHUOO-UHFFFAOYSA-N	503.592	1.838	0	40	KDAB	
COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1	12599770	IFMZWZDQJGYHTR-OAHLLOKOSA-N	505.549	1.859	0	40	KDAB	
CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C	12889279	FLRUXAUWDKIEPL-LCWLCAASSA-N	533.662	2.000	0	40	KDAB	biogenic
COCN1c2ccccc2S[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	105416630	VKCGIKJXWXVQAJ-JGSPDANKSA-N	541.575	1.819	0	40	KDAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222930924	INIPJNRRCREZMP-SFHVURJKSA-N	505.593	1.258	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@](O)(COc2ccccc2)C1	585272937	POCZNBSTYAYPDT-MUUNZHRXSA-N	513.635	1.498	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@](O)(COc2ccccc2)C1	585272945	POCZNBSTYAYPDT-NDEPHWFRSA-N	513.635	1.498	0	40	KDAB	
CC(=O)N1CC=CCN(C)C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC[C@H]1CC(C)C	1615190213	DBYIIEJWUMQNST-OAQYLSRUSA-N	506.669	1.907	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)C1CCCCC1	4277891	HKYSRIBRKFYNCF-XZOQPEGZSA-N	503.688	1.546	0	40	KDAB	biogenic,in-vitro
CC(C)CN(C(=O)COC(=O)COc1ccc(C=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	62575455	BHVOJTNGHSMSCQ-UHFFFAOYSA-N	508.531	1.591	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(C4COC4)C[C@@H]13)CC[C@@H]2O	253395640	CAJVVHXAARUPET-WVAUJHLCSA-N	521.614	1.686	0	40	KDAB	
CN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3	253400099	KMUBZMOKSSPCCE-DEXHYYOUSA-N	500.640	1.810	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O	14134957	XRYVEYGNLOPADV-DEOSSOPVSA-N	514.560	1.648	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	97971720	WCMJLEULXWUCRF-WJEONYHBSA-N	796.992	1.854	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C(=O)O)CC[C@@]12O	123306664	HIWAUMHEHZRTHX-ISJHMNPLSA-N	568.616	1.518	0	40	KDAB	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225571557	RWWQCCBFLRFPLY-UHFFFAOYSA-N	506.650	1.968	0	40	KDAB	
COC(=O)C[C@H](c1ccc(OCc2nccn2C)cc1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O	524730668	SBFHGLOFVRNGAB-OAQYLSRUSA-N	510.547	1.627	0	40	KDAB	biogenic
CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(OCCCN3CCCC3=O)cc2)CCCCOC[C@H](O)[C@@H]1O	643585015	NLDILZBUINEPHV-YCVJPRETSA-N	549.709	1.666	0	40	KDAB	
O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	13136949	ODPMESNQUXILQE-OAQYLSRUSA-N	511.560	1.290	0	40	KDAB	
CCN(C(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32667857	CDGNCQQMTADVAU-UHFFFAOYSA-N	510.555	1.424	0	40	KDAB	
CN1C(=S)N(CCCN2CCOCC2)C(=O)/C1=C\c1ccc(/C=C2\C(=O)N(CCCN3CCOCC3)C(=S)N2C)s1	35982603	HBJDYFDZDLHKPX-BLVCXSLXSA-N	618.851	1.992	0	40	KDAB	
CC(C)CN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	67337221	RKRJPNYALCRXKO-UHFFFAOYSA-N	509.076	1.998	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)C(C)C	70699779	AFDUFVPNZWQZMI-FKBYEOEOSA-N	540.642	1.937	0	40	KDAB	biogenic
CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103007088	RPFVXXZIAWXAHM-UHFFFAOYSA-N	555.101	1.424	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C)C(=O)O	253500737	KAGUOCQKGRJBBP-NIGNBQOHSA-N	796.992	1.853	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@H](O[C@H]2[C@@H](O[C@@H]3C[C@@]4(C)[C@@H](C[C@H](O)[C@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]54C)[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	584578310	JBGYSAVRIDZNKA-MQOJAMMQSA-N	801.024	1.359	0	40	KDAB	
C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NC2CCC2)CCC(=O)N[C@H](Cc2ccccc2)C(=O)N1	643559798	BGLZZPOXCBQFGB-OFAXGOBFSA-N	506.603	1.859	0	40	KDAB	
CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N	19941032	RCALPRHQEWCMCJ-SFHVURJKSA-N	506.604	1.394	0	40	KDAB	
CCOC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1	32682358	XNTJHCWXQJCVAB-PSWAGMNNSA-N	530.618	1.837	0	40	KDAB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CNS(=O)(=O)c1ccc3ccccc3c1)n2CC	32745326	RZOUHNZWHGONFX-UHFFFAOYSA-N	513.576	1.881	0	40	KDAB	
COCCN(C(=O)COC(=O)/C=C/c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140445	SSEICNMJKRZUQW-BUHFOSPRSA-N	529.553	1.951	0	40	KDAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)CC2)c1	96021394	HFGHYOCJMMCAPC-DEOSSOPVSA-N	530.628	1.567	0	40	KDAB	
CCOC(=O)Cn1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	96901721	RMTGWWXYZKUNDE-UHFFFAOYSA-N	530.629	1.904	0	40	KDAB	
COc1ccc(-n2nnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	103077927	VGXISEFCQJLLFW-UHFFFAOYSA-N	575.673	1.259	0	40	KDAB	
C=C(Oc1cc(C(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](OC(C)=O)[C@@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O	229762630	QPTBIDGWTVNLQQ-QUKDMSEQSA-N	656.553	1.154	0	40	KDAB	biogenic,in-vitro
CC(=O)CO[C@@]1(COC(C)=O)[C@H]2[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)OC=C[C@H]2[C@H](OC(=O)c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O	250531613	TXTNFCNOFALFTO-HZLJNARSSA-N	850.776	1.192	0	40	KDAB	
C[C@@]1(CO)[C@H]2CC[C@]3(C)[C@H](C=C[C@]45C[C@@]43CC[C@@]3(C(=O)O)[C@@H](O)C[C@](C)(CO)C[C@H]35)[C@@]2(C)[C@@H](O)[C@@H](O)[C@@H]1O	253389364	IXIMDUAPYHOVHL-PISNDSIISA-N	534.690	1.701	0	40	KDAB	biogenic,in-vitro
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408676366	CYXOWPHKFHBQNI-DXTKOSGQSA-N	521.614	1.435	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572841	JPJJAJHZIFYIOW-ARFQCTDUSA-N	676.815	1.353	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575856	MCHCXPWIVONNMI-VWYPKUQYSA-N	645.761	1.345	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1	30848296	UFWYVMWCVZYCMS-UHFFFAOYSA-N	509.606	1.952	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1	102415857	CNTMFKVDWFMNLX-UHFFFAOYSA-N	532.040	1.701	0	40	KDAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	103093491	GQDKHJDLIAMFNE-UHFFFAOYSA-N	557.672	1.352	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1C	226084551	FYGWOBDTQXWXNN-LJQANCHMSA-N	509.650	1.807	0	40	KDAB	
COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1OC	930461	REMHIRZTTHUGID-UHFFFAOYSA-N	523.615	1.950	0	40	KDAB	
CN(C(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24772172	PFDPHWSGKDFSHQ-UHFFFAOYSA-N	521.574	1.401	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@H]2SC1	33356843	KXYQZNHPBBGJLK-RMLUDKJBSA-N	527.275	1.117	0	40	KDAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(=O)[nH]c1=O	38140802	BZEUQJHHMKACOM-UHFFFAOYSA-N	539.630	1.772	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC	59838297	YMDGRADUCXGSFR-NRFANRHFSA-N	533.628	1.557	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	105968775	BPDBXEVYPPWFPU-MVPXGEJYSA-N	551.618	1.566	0	40	KDAB	
Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1	224533096	QJTLGHXWJDTQQO-UHFFFAOYSA-N	566.702	1.887	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	244909670	AQKPXOWLUQPPRH-GZUHDBDYSA-N	531.514	1.661	0	40	KDAB	
Cc1ccc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)nc2c1	257295704	QZNHNOZYDMUVMY-DCFHFQCYSA-N	549.632	1.325	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643566431	YHYWGQYLFDIIEC-ILWGZMRPSA-N	515.655	1.157	0	40	KDAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NC(=O)Nc1ccc2c(c1)OCCO2	3358333	CLVQSVJEBVQRCM-UHFFFAOYSA-N	523.495	1.123	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	15969362	BNUMKFBPNOFSJR-MPSBGVKKSA-N	520.586	1.549	0	40	KDAB	biogenic
CCCCn1c(N)c(N(CCOC)C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O	32957699	LADWAATYJWUWMC-IZHWHUGBSA-N	506.604	1.035	0	40	KDAB	
COc1ccc(OCCN(C)CC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@H]2CC(C)C)cc1	643586684	OARCEIOAUBTVMB-AZUODYCOSA-N	581.751	1.645	0	40	KDAB	
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750587	NZDCGZOHJTWGOX-CJDCTATNSA-N	801.024	1.120	0	40	KDAB	
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1848349821	NZDCGZOHJTWGOX-VLHGREIWSA-N	801.024	1.120	0	40	KDAB	
C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2	16044757	CFAZKIQGIOILHV-HYBUGGRVSA-N	517.629	1.670	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C=O)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O	67913205	YINNEDVQUNYQEZ-FFCUNUKGSA-N	664.833	1.613	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2cc(CO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1	100238930	RSFOBATZWJSMJB-ABZQKAAASA-N	535.502	1.950	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	257498115	NWPTUAQJIALPLJ-AWWDXYBMSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643570252	UOZIBLKRAIXKDE-ZCYQVOJMSA-N	589.693	1.415	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6904972	LALXSFVQYFYGOE-HXUWFJFHSA-N	527.559	1.405	0	40	KDAB	
O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4c[nH]c(=O)[nH]c4=O)C5=O)c3)cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O	98043414	LGBOKHARKPVCNG-UHFFFAOYSA-N	620.490	1.626	0	40	KDAB	
C[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	101486017	VDCJZLSXVUKCOD-USXIJHARSA-N	542.010	1.406	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	514295962	HSZAHEFETRHONJ-UHFFFAOYSA-N	553.659	1.448	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2ccc3c(c2)OCO3)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551393	JAZNYOQOPPKKPR-HFZXRTBZSA-N	564.676	1.694	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643566311	WRAKVXROXWKDSR-WIOPSUGQSA-N	540.617	1.371	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)CC(=O)N[C@@H](CC(C)C)C1=O	1615160868	RKPDVAXAOGBHEY-VXKWHMMOSA-N	516.639	1.586	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4ccccc4OC(=O)[C@@H]2CS3)cc1	16754239	CHKVPCYBFAIFEC-PBHICJAKSA-N	503.583	1.969	0	40	KDAB	
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941057	STSSECTWCXRNFY-FQEVSTJZSA-N	516.668	1.953	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20030941	NSUISFLOBLHRMA-UHFFFAOYSA-N	511.622	1.043	0	40	KDAB	
C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(N)=O	70665725	GPMQUFLHTOTVNB-DZFGPLHGSA-N	605.689	1.534	0	40	KDAB	biogenic
COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	224852910	KGSRNSXPCRHRPB-UHFFFAOYSA-N	569.658	1.672	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2C[C@@H](O)CN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)C[C@@]2(C)O)n(C)c1=O	257303258	SGKMYRNHEBLIOO-LNJIKXCHSA-N	577.564	1.168	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	2061001096	HICKWUOOLVNEHW-KGSFOVLBSA-N	738.912	1.362	0	40	KDAB	
COCCn1c(N)c(NCc2ccccc2)c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O	13134450	AOFJWRPPJRHIBL-UHFFFAOYSA-N	511.579	1.227	0	40	KDAB	
NC(=O)c1nsc(C(=O)N(CCN2CCOCC2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N	19941124	KLMPPZDQYCWKAX-OAQYLSRUSA-N	532.642	1.928	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1N1CCCC1=O	20459968	ABOJQVDVDUFWFB-UHFFFAOYSA-N	525.605	1.652	0	40	KDAB	
COc1ccc([C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)N2CCCCC2)cc1OC	55104327	PJSXBUNHEIKCFJ-HXUWFJFHSA-N	502.593	1.750	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)O[C@H](CO)[C@H]1O	67902908	BEHIONSZUBFJLA-FBWFMKCTSA-N	580.542	1.953	0	40	KDAB	biogenic,in-vitro
CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1	96900350	BKZYFLNRUZJXTD-OAQYLSRUSA-N	501.561	1.510	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Sc3ccccc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	150663644	OJVHDCHVHOISBO-CUSQQDKASA-N	728.722	1.398	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O	252286748	HRKNNHYKWGYTEN-HWMAKXHNSA-N	734.969	1.559	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389469	MLRZPRGBFKQPOT-DVWVDVGISA-N	940.134	1.099	0	40	KDAB	biogenic,in-vitro
COCCCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643566135	QAUSYPRBSDPNMJ-RRPUWOKSSA-N	524.618	1.295	0	40	KDAB	
Cc1cc(N2CCOCC2)nc(SCC(=O)c2sc3nc(N4CCOCC4)cc(C)[n+]3c2O)n1	3078709	IXQYCVYUDDBNBI-UHFFFAOYSA-O	503.630	1.642	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6089350	APAFOMJJPYMHHE-IBGZPJMESA-N	514.539	1.421	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O	38145787	FAUSPUYJVFVVQE-VWLOTQADSA-N	530.603	1.820	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](OC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	150396406	KQPACFUEGAAHNG-XFLKXUIRSA-N	669.721	1.904	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1	223538657	KXSKALAFLKDSQB-LADGPHEKSA-N	503.621	1.952	0	40	KDAB	
CC(=O)CO[C@]1(COC(C)=O)[C@H]2[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)OC=C[C@H]2[C@H](OC(=O)c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O	250531617	TXTNFCNOFALFTO-QEYMJCBBSA-N	850.776	1.192	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)N2CCC[C@@H]2C(=O)N1	643570608	GHGBHQLLOVEFSU-BHDDXSALSA-N	515.655	1.157	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCN(C)C)CC(=O)N[C@@H](CC(C)C)C1=O	1615159261	MXEHVLVVZBAFMB-VXKWHMMOSA-N	517.671	1.405	0	40	KDAB	
O=C(O)COCCCCCOCCOCCCCCOCC(=O)NCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	1775937464	KDYIZKATTGMJTL-XMMPIXPASA-N	648.710	1.108	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	2061000873	TUFDSEMWRYIOBO-QCKKKNSJSA-N	799.008	1.328	0	40	KDAB	
NC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(N)=O)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1	1662465	FNXIZGCMHLSQBQ-UHFFFAOYSA-N	538.568	1.089	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CCCNC(=O)C=C(C)C)C(N)=O)N(C(=O)C=C(C)C)C2)c1	4200908	XQQZOEFYNWMXNV-PMVMPFDFSA-N	556.664	1.585	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6546225	ISSQYYMUBOZMOM-RDGATRHJSA-N	554.579	1.916	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O	12975866	QARCRLWOIKYWRD-GOSISDBHSA-N	531.610	1.007	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1O	67903588	DRZYJIXQEOTQDA-STBUIISPSA-N	666.849	1.405	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)c(F)c4)C3=O)CC2)cc1OC	102866063	LCXNSBUVAIRZJC-DEOSSOPVSA-N	552.556	1.282	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@@]2(O)[C@@H](O)[C@H](O[C@H]3C[C@H]4[C@]5(C)C[C@H](O)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@]5(C)CC[C@]45C[C@@]54CCCC(C)(C)[C@@H]34)O[C@H](CO)[C@H]2O)OC[C@@H](O)[C@@H]1O	253617681	LFJNPJBIDAQEHH-ICQRJRJVSA-N	827.018	1.644	0	40	KDAB	
NCCCOc1cccc(C(=O)N[C@@H]2C[C@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@H](O)[C@@H]2O)c1	257217507	CZGPQPAZNPENRW-JSRBNTPPSA-N	517.590	1.631	0	40	KDAB	
CCN1C[C@@]2(COC)CC[C@H](OC)[C@]34[C@H]2[C@@H](OC)[C@H]([C@@H]13)[C@]1(OC(C)=O)[C@H](O)[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1	2060993616	PHASMOUKYDUAOZ-LQQJSQHVSA-N	629.747	1.677	0	40	KDAB	
CC[C@H](C)[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O	3927805	UMKHUVRCCMAOBN-RGZKPZSGSA-N	612.728	1.125	0	40	KDAB	
COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc5c(c4)OCO5)CO[C@H]23)c1	4147757	BUGPRUZVHLAPEN-XAMWDVODSA-N	526.531	1.675	0	40	KDAB	biogenic,in-vitro
Cc1ccc(NC(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1	12542902	CHYGSXSTUUQGMM-BXKMTCNYSA-N	500.577	1.810	0	40	KDAB	
COc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)CC2=O)c(OC)c1	32992613	XXFJCXMFBGLWQX-HNNXBMFYSA-N	509.531	1.868	0	40	KDAB	
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	97971610	NRRXDXZXLJSBPH-QRADSROOSA-N	724.885	1.339	0	40	KDAB	biogenic,in-vitro
COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(I)cc3)CC2)cc1OC	97996133	OWVDLHPJMWRTPT-UHFFFAOYSA-N	566.396	1.821	0	40	KDAB	
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	224388470	YACNGBMSMCQKQC-UHFFFAOYSA-N	524.665	1.913	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	252694964	SKHJNNFXCKTDBG-QSTSEHSFSA-N	708.886	2.000	0	40	KDAB	biogenic
COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)N(CC(=O)OCc3ccccc3)c3ccccc32)C(C(=O)OC)=C(N)O1	1868874	RSNMVGZSWIEGJO-NDEPHWFRSA-N	550.520	1.378	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1	12467539	WAHSGGBTGVAWNF-LJQANCHMSA-N	517.564	1.894	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(OC)cc1	22843265	IMCGZNMSWHIJNK-YJADQXIJSA-N	518.595	1.997	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)CC2)cc1	34805301	YXRGVCNUKFIEBH-LEOXJPRUSA-N	531.631	1.073	0	40	KDAB	biogenic
CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1	38152366	RDWAOZLACONENR-CQSZACIVSA-N	527.448	1.583	0	40	KDAB	
COc1ccc(N2C(=O)NC(=O)[C@H](C(c3ccncc3)[C@@H]3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1	100218400	QWUODEQDUJXXOL-FRIKZZABSA-N	557.519	1.981	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(O)c(OC)c3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1	102662741	BLWFDBNTGVCNJS-FVIRYLMMSA-N	568.604	1.369	0	40	KDAB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O	242463694	DHQFYEJMFMYGCV-TXCDWIEUSA-N	591.786	1.711	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	245224278	ULGZDMOVFRHVEP-FTPPHIPBSA-N	733.937	1.786	0	40	KDAB	
CC(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643565089	SCZPUSRDBUAZSX-PPJWLVRDSA-N	557.692	1.320	0	40	KDAB	
O=C1C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566005	NOFCNQDXSBUBET-NSOVKSMOSA-N	611.699	1.850	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1F)CC2	1548889924	MGIHLCOAFQETPJ-QUCCMNQESA-N	504.584	1.278	0	40	KDAB	
O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	103052363	YLBOUXFGTGMZOQ-UHFFFAOYSA-N	599.091	1.348	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	123307407	AMRMTJOEQNHFBE-QBTSGSQLSA-N	596.670	1.996	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1C	260734091	FYGWOBDTQXWXNN-IBGZPJMESA-N	509.650	1.807	0	40	KDAB	
COC(=O)c1cc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc(C(=O)OC)c1	408588960	DFNYOMLJKGIUOZ-OAHLLOKOSA-N	506.533	1.687	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccncc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548890949	VBAVARAQURVURI-RPWUZVMVSA-N	566.684	1.540	0	40	KDAB	
O=C(/C=C\c1ccc(O)cc1)OC[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@@H](O)[C@@H](O)[C@H]1O	5707341	PLORCKNHUZJPKH-LDCMNNEFSA-N	580.542	1.953	0	40	KDAB	
Cc1ccc(OC[C@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1	9292797	QLFOJUMFXKRGIQ-QUCCMNQESA-N	507.547	1.290	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	12467545	DUYKQHYREPJUKA-SFHVURJKSA-N	501.521	1.605	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(SC)cc2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2	33491418	HZLQMCMNHXDNTO-BMRNSMCBSA-N	512.609	1.849	0	40	KDAB	
CC1(C)O[C@H]2[C@@H](CO)O[C@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(Br)cc5)nc43)[C@@H]2O1	98048062	PELIPSXWAUNANX-XIEZEKGWSA-N	536.339	1.309	0	40	KDAB	
O=C(C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1	257203022	AOIHCPMFHIZTDV-RXVVDRJESA-N	510.429	1.626	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@@H](N)CCCCN)CCCCOC[C@@H](O)[C@H]1O	643551363	GZKVNPNAXXPTHG-FICKONGGSA-N	568.731	1.516	0	40	KDAB	
COc1ccc(CCN(CC(=O)NCc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	12467054	FDWTUQIYYYZFHU-UHFFFAOYSA-N	515.567	1.982	0	40	KDAB	
Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	12716413	BUHPUQPWMWZZIE-UHFFFAOYSA-N	517.589	1.963	0	40	KDAB	
Cn1nnnc1N1CCC(N(CC(=O)NCc2ccccc2F)CC(=O)NCc2ccccc2F)CC1	69518720	JYNWZDGJZOLRRH-UHFFFAOYSA-N	512.565	1.392	0	40	KDAB	
Cc1ccc(NC(=O)[C@H](C)N2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1S(=O)(=O)N1CCOCC1	103128612	JUWQUXXTHHVHQI-GKVSMKOHSA-N	528.587	1.573	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	215934160	AQKPXOWLUQPPRH-RKHYJKSUSA-N	531.514	1.661	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)CCc4nc5ccccc5[nH]4)CC3)OC[C@]2(C)O)n(C)c1=O	257305520	SQKGANANFFZJDG-SIBVEZHUSA-N	535.605	1.016	0	40	KDAB	
O=C(O)CN1C(=O)N/C(=C/c2cc(I)c(O)c(I)c2)C1=O	408594241	OAVXWCKWGBIDHR-FPYGCLRLSA-N	514.013	1.579	0	40	KDAB	
CC1(C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N1	643574723	MKEKZQSCAORWNZ-SFTDATJTSA-N	538.601	1.171	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C	76945588	FAXGPCHRFPCXOO-VCBFDHLISA-N	685.904	1.467	0	40	KDAB	in-vitro
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2cccc(C)c2)n1C	101575230	YTBVPOCZQCDXAS-SMQFJCFBSA-N	564.617	1.451	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	169289799	ULGZDMOVFRHVEP-VUPLIFCVSA-N	733.937	1.786	0	40	KDAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CC(=O)O)C(=O)[C@@H]23)cc(OC)c1O	245228892	IHWRBHBKLZOBIG-FTLGDJJOSA-N	518.569	1.717	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643565931	LXUJISICWNQXQP-YDLSIGKMSA-N	522.602	1.047	0	40	KDAB	
COC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1	2362477	GNLJLESLCWFQBT-MTMYEVCSSA-N	510.549	1.604	0	40	KDAB	
CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(CSc4nnc(C)s4)CS[C@@H]23)n1	2747828	CRWUJGVQONLEQC-NHYWBVRUSA-N	501.015	1.861	0	40	KDAB	
Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	12712151	XCNWCGUZGKJDMT-UHFFFAOYSA-N	517.589	1.932	0	40	KDAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(OC)c(OC)c1	19817804	REPQWFAWIFYBPR-ZEQRLZLVSA-N	524.574	1.957	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)O[C@H](CO)[C@H]1O	67902905	BEHIONSZUBFJLA-QNZXPIALSA-N	580.542	1.953	0	40	KDAB	biogenic,in-vitro
COC(=O)Cn1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	96306526	BSPPWLMWVXMTHO-UHFFFAOYSA-N	516.602	1.514	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4ccc(C(F)(F)F)n4)[C@@H]3SC2)s1	98045681	HTPRWZYSQLXDQD-RISCZKNCSA-N	520.540	1.593	0	40	KDAB	
OCC(CO)(CO)NC[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21	98048115	QFUNDOVMQXMILT-CQSZACIVSA-N	596.203	1.670	0	40	KDAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1	575426388	SLHHVQJYCRMSQF-BJKOFHAPSA-N	696.782	1.775	0	40	KDAB	
COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@](O)(COc2cccc(F)c2)C1	585281854	CQWSXKLJWILTSJ-MHZLTWQESA-N	519.589	1.897	0	40	KDAB	
Cc1cccc2c1OCCCNC(=O)C1(CCCCNC2=O)CCN(CC(=O)Nc2nonc2C)CC1	643556260	HHVWKZYWHIZXNC-UHFFFAOYSA-N	512.611	2.206	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582760	WFAXUTMZUDFMDC-GOTSBHOMSA-N	506.603	1.766	0	40	KDAB	
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)NCc1ccccc1	72103064	AGXALDIAFGLCIY-KDOFPFPSSA-N	530.386	1.687	0	40	KDAB	
COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1	97979008	ZEDUPAWGFZSSFX-YRNVUSSQSA-N	543.598	1.803	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccco1	103634485	HNHVWECGZJUEIE-ZSFFSCSXSA-N	524.576	1.995	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1	222948954	YZDYQEJXJARXHS-QFIPXVFZSA-N	560.717	1.792	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2	253397814	FZUMUQICFVEBDS-ONLLFZDPSA-N	600.694	1.106	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@@H](O)[C@]12C)C(=O)O	253529823	WIKNHJPJHDNAME-WLTSUNBISA-N	782.965	1.463	0	40	KDAB	biogenic,in-vitro
CC(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)NC3(CC3)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569876	FPLOUUQWNSMPEA-BDYUSTAISA-N	603.720	1.757	0	40	KDAB	
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1	5545634	NYQPLPNEESYGNO-LJQANCHMSA-N	573.570	1.288	0	40	KDAB	biogenic
CCOC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1cccc(OC)c1	8965009	XSLKIPUMCHKLFF-ACSPXDACSA-N	522.579	1.567	0	40	KDAB	
COc1ccc(CCN2C(=O)C[C@H](N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)C2=O)cc1OC	12539564	OYIYUTTXHGYTAI-BVZCLVNKSA-N	513.616	1.992	0	40	KDAB	
COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC	12541725	ZNNZQEOBIMXVMP-CQSZACIVSA-N	525.605	1.906	0	40	KDAB	
Nc1ccn([C@@H]2O[C@H]([C@@H](O)c3ccccc3C(=O)O)[C@](O)(c3ccccc3C(=O)O)C2(F)F)c(=O)n1	71605787	FLEGKVSBDHUCTC-VTAPXXACSA-N	503.414	1.376	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(Cl)c1	222836908	WSZIOMQIQPHMTF-UHFFFAOYSA-N	520.029	1.841	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(OC)cc2)CC(=O)N(C)CC1=O	643570563	JITXWTXISCKMFT-QFIPXVFZSA-N	526.590	1.078	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC(=O)N(C)CC1=O	643570654	NEFDBMHLKLLGSM-NRFANRHFSA-N	538.601	1.005	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN(C)CCc2ccccn2)CCCCOC[C@@H](O)[C@H]1O	643586661	LEHCRFVESGGVNM-IYUNARRTSA-N	536.714	1.195	0	40	KDAB	
CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	4277956	PVJAOUZLDRQAIV-PKTZIBPZSA-N	540.646	1.174	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1	12865016	PTOOQKNTJVEKGC-LRQRDZAKSA-N	525.624	1.361	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	13671055	IBXAJMJTSLDGGY-UHFFFAOYSA-N	523.633	1.171	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	20031795	WDGUIILFJWDYMY-OAQYLSRUSA-N	521.661	1.733	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1	95566298	YFYGWSCMDCTAKZ-UHFFFAOYSA-N	525.939	1.329	0	40	KDAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc(CC3(CN4C[C@@H]5C[C@@H](C4)c4cccc(=O)n4C5)C(=O)N(C)C(=O)N(C)C3=O)cc2)(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O	150611403	QKUFYFUSJMGILO-YDPTYEFTSA-N	818.932	1.407	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225510130	MPNIHWGFSLKJFU-SFHVURJKSA-N	523.633	1.756	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)NC2(CCCCC2)C(=O)N1	643577051	BJFJEJGLHZSURU-XZOQPEGZSA-N	543.709	1.985	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750555	DVUHIYFVLVFKRW-YSGQKJNOSA-N	801.024	1.120	0	40	KDAB	
COc1nc(N(C)C)nc(N(CN2C(=O)c3ccccc3S2(=O)=O)S(=O)(=O)c2ccc(C)cc2)n1	3112035	VJSDDRRLHZNDAM-UHFFFAOYSA-N	518.577	1.252	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(F)cc1)c(=O)n2Cc1ccccc1	12541077	UZYAXQDMUCIPNH-UHFFFAOYSA-N	509.494	1.375	0	40	KDAB	
C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2	16044760	CFAZKIQGIOILHV-RDPSFJRHSA-N	517.629	1.670	0	40	KDAB	
CCOc1ccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1	32971927	LYFVEEIYDLEILS-UHFFFAOYSA-N	503.600	1.700	0	40	KDAB	
O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C(c1ccccn1)c1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O	103770580	AAVHRYFGALQXDO-UHFFFAOYSA-N	533.447	1.630	0	40	KDAB	
O=C1NCCOCCOc2ccc(C(=O)NCCS(=O)(=O)N3CCCC3)cc2Cc2cccc1c2	643573377	UJVFOSYWSOOAKY-UHFFFAOYSA-N	501.605	1.572	0	40	KDAB	
COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	4994457	HZASFOJVNSQXLC-DNVJHFABSA-N	513.591	1.705	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1	9694802	XGZUZMGSWGXTGJ-UHFFFAOYSA-N	500.574	1.098	0	40	KDAB	
CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	14357971	XPFBBEUNQMOLRI-UHFFFAOYSA-N	517.604	1.917	0	40	KDAB	
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)ccc1Cl	25422360	UJHRZZBDSIJNKB-ZHACJKMWSA-N	515.997	1.662	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCOCCOCCOCCOCC2)cc1	39988429	CWKOWDQSNWOZLV-XMMPIXPASA-N	530.684	1.613	0	40	KDAB	
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	67911565	CCJGGIKEFAWREN-WBPIOOJSSA-N	652.690	1.863	0	40	KDAB	biogenic
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1	100277302	CVOKLYCZQMLUER-BVAGGSTKSA-N	569.638	1.968	0	40	KDAB	
O=C1C(=O)N(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(Br)cc21	101090788	WCYOMSRKURJAMU-OAQYLSRUSA-N	540.418	1.475	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	224208756	CUGHKGAAHQPHTM-UHFFFAOYSA-N	534.454	1.661	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1	224299317	VDGXFJYPBOHPEP-UHFFFAOYSA-N	510.638	1.279	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	245190508	MQTOSJVFKKJCRP-AXQYOOGUSA-N	748.996	1.901	0	40	KDAB	
CO[C@H]1C[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4[C@H](O)[C@@H](O)[C@]4(C)[C@@H](C(C)=O)CC[C@]54O)C3)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O	253529809	UPGNUKWUJCJKHN-ALRGOVBJSA-N	798.964	1.494	0	40	KDAB	biogenic,in-vitro
CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	408924726	LVNJUMYFWVOBQH-QGZVFWFLSA-N	511.622	1.899	0	40	KDAB	
O=S1(=O)CC[C@H](N(N[C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425374	YQTMFZOYXQAMSW-NEPJUHHUSA-N	566.315	1.081	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643572822	JGXPOSHVGLBVFQ-WDXDTELGSA-N	611.715	1.852	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCN(C)C1=O	1615157228	JKMKYMGZPWHYRZ-ZEQRLZLVSA-N	543.709	1.891	0	40	KDAB	
COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5cncn5)cc4)CO[C@H]23)c1	4147819	JUWQZLZBZBCSPA-UWHLTILDSA-N	549.573	1.527	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1OC	59838463	CKNXLSIHSFUJIT-UHFFFAOYSA-N	567.686	1.442	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@@H]2C1	253389264	DZVIFFMYEULLBY-HZAPBWRVSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)c2c(ncn2[C@H]2CN(C(=O)CCc3nc4cc(Cl)ccc4n3C)CC[C@]2(C)O)n(C)c1=O	257220204	DJZRCHAUIXKJSB-XDHUDOTRSA-N	513.986	1.131	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN[C@H](C)c2cc(O)n3nc(C)cc3n2)CCCCOC[C@@H](O)[C@H]1O	643586620	AXQVNLPFWYCXQO-RWOJCYMMSA-N	592.738	1.033	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1	3315074	BIAZTXXNBUDRKM-QGFLDLQWSA-N	502.545	1.756	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@@H](OC2CCCCC2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339415	IMCJHVQTBGINBO-RCTKEMKKSA-N	502.513	1.351	0	40	KDAB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1	102854211	PTQHLEGUCFTSBU-SFHVURJKSA-N	536.673	1.081	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(OC)cc3)C(C)C)CC2)cc1	103019039	YKWHFDDRUIRGSX-QHCPKHFHSA-N	567.686	1.708	0	40	KDAB	
CCOc1ccc(N([C@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	260888171	IZFNBENUDWEFOF-XMMPIXPASA-N	569.702	1.846	0	40	KDAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(N)=O	409011688	ICVLEGMGWGWFKB-KGENOOAVSA-N	510.572	1.944	0	40	KDAB	
O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409023640	ABGIHUPUVLJBKL-SANMLTNESA-N	612.730	1.824	0	40	KDAB	
O=C1C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N1	643574710	LEBHTCJKDXPLSH-GSDHBNRESA-N	586.645	1.613	0	40	KDAB	
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)CC[C@@]3(C)[C@H]12	1857789672	UEBSUYXDXSNJSV-JUSBGNBJSA-N	813.035	1.385	0	40	KDAB	
COC[C@]12CN(C)[C@H]3[C@H]4[C@H](OC)[C@H]1[C@]3([C@H]1C[C@]3(O)[C@@H](OC)CC[C@H](O)[C@@]4(C)[C@H]1[C@H]3OC(=O)c1ccccc1)[C@H](OC)C[C@H]2O	2061000068	CLNODDZVJJQWNZ-XZZKKEIUSA-N	615.764	1.743	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C)c(Br)c4C)[C@@H]3SC2)s1	2809486	FAJXDHVELXZOSA-BBRMVZONSA-N	559.493	1.953	0	40	KDAB	
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@@H]1C[C@H]2O	4534333	OVMSOCFBDVBLFW-PFJFUWRNSA-N	586.634	1.653	0	40	KDAB	
Cc1cccc(OC[C@@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)c1	9292465	UPNPBXQPNPSPDZ-ICSRJNTNSA-N	507.547	1.290	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1	13640314	VGUUDSNUJASRMW-GJCVFUNYSA-N	510.878	1.726	0	40	KDAB	
O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NC(=O)[C@H]1COc2ccccc2O1	34873144	GHKWBKHSSNCDDA-VQIMIIECSA-N	508.936	1.519	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852051	PXSAHUXJAUJJSK-UHFFFAOYSA-N	551.687	1.886	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70670062	QNUXZEWIJXLGKZ-JJMUUSAGSA-N	604.609	1.432	0	40	KDAB	biogenic
O=c1n(CN2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2n1CN1CCN(S(=O)(=O)c2cccs2)CC1	96021743	WZEDKRSLCXKBML-UHFFFAOYSA-N	622.820	1.854	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H]1n1nc(-c2ccncc2)n(C(C)C)c1=S	102489220	RNSUCGKBHJJDII-OZOVBHBASA-N	549.606	1.886	0	40	KDAB	
Cc1c(CC(=O)N2CCC[C@H](C(=O)NCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)NCC(=O)O)C2)c(=O)oc2cc(O)c(Cl)cc12	150457229	NRIJKQSEBRDWGM-CUBQBAPOSA-N	754.237	1.963	0	40	KDAB	
COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224497913	WXLNEWHLRMTWAV-UHFFFAOYSA-N	535.438	1.836	0	40	KDAB	
CCN1C[C@]2(COC)[C@@H](O)C[C@@H](OC)[C@@]34[C@@H]2[C@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1	584567120	PHDZNMWTZQPAEW-LLRLMUGYSA-N	629.747	1.677	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)CC[C@@H](C(=O)N2CCN(CC)CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569809	SBELZPOTZUWWOZ-PTLVVNQVSA-N	515.655	1.111	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccs1)CC2	1548888782	AILHWZZHTSKUNO-GGAORHGYSA-N	576.741	1.642	0	40	KDAB	
Cc1ccc2c(c1)S(=O)(=O)NCCOCCNS(=O)(=O)c1cc(C)ccc1OCCOCCO2	4066075	QNECCOZWYTWYPJ-UHFFFAOYSA-N	514.622	1.365	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	8767077	ZVDXJYALDKTVHK-ZBXXMNEPSA-N	536.610	1.872	0	40	KDAB	
CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](CC(N)=O)C(=O)O	8791567	PINOSKUWZDNSAQ-UYAOXDASSA-N	518.611	1.541	0	40	KDAB	biogenic
COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(OC)c1	15982156	SCCFHVYGANHZBI-KIMHZCHSSA-N	507.609	1.692	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	20031371	TZIKHEJXJWCRMF-MRXNPFEDSA-N	511.622	1.472	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032668	QTGYRQJPQFNWPI-UHFFFAOYSA-N	525.649	1.433	0	40	KDAB	
CCCN(C(=O)COC(=O)COc1ccc(OCC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	62572075	VLCIGDSNIYRZAY-UHFFFAOYSA-N	510.547	1.931	0	40	KDAB	
CCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338395	ADNSWMMTMDNJFE-UHFFFAOYSA-N	502.641	1.335	0	40	KDAB	
N=C1C(C(=O)N2CCOCC2)=C(NCCN2CCOCC2)S[C@@H]1C(=O)Nc1ccc(Br)cc1	102928121	VRVWOZOVHDKCMX-IBGZPJMESA-N	538.468	1.515	0	40	KDAB	
COc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1S(=O)(=O)N1CCOCC1	103130329	MAXRNCOTWDXWME-FQEVSTJZSA-N	541.586	1.299	0	40	KDAB	
CC1(C)S[C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@@H]1NC(=O)N[C@H]1N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2SC1(C)C	150379388	QOHBYLZHUZCIDD-AGKOZTPSSA-N	660.734	1.655	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224484233	LWLLFQPCCBYYKI-QGZVFWFLSA-N	529.612	1.196	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2	253405877	TWFRXGHOVNGVEA-STCFVSJZSA-N	562.714	1.439	0	40	KDAB	
COc1ccc(C[C@@H](NC(=O)NSc2ccccc2)C(=O)N[C@@H]2[C@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1	4803633	CKCKOHXJUYIKSC-NYUMYXOLSA-N	622.708	1.254	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1	12529323	JMYBFVHJIORBII-UHFFFAOYSA-N	501.652	1.981	0	40	KDAB	
O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)Nc1ccccc1	104217550	WBHJSLDBCXZLLZ-RTWAWAEBSA-N	537.660	1.952	0	40	KDAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	150358176	SSNBFKNPGFMLFA-XDIGFQIYSA-N	885.079	1.368	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1	257549096	TVXISIJXIXGTQS-XFPPZFBFSA-N	869.055	1.594	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO[C@@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	257619569	XERVTTUAMKCJIM-RSUWNMJXSA-N	740.928	1.442	0	40	KDAB	endogenous,in-man
COc1ccc(OCCN(C)CC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]2CC(C)C)cc1	643586685	OARCEIOAUBTVMB-SAWAIYNCSA-N	581.751	1.645	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NCc1ccccc1)CC2	1548890551	SSRDGESAMKOFDW-RPBOFIJWSA-N	613.737	1.290	0	40	KDAB	
CC1(C)O[C@@H]2[C@H](CO)O[C@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(Br)cc5)nc43)[C@@H]2O1	98048059	PELIPSXWAUNANX-GJZVTGKDSA-N	536.339	1.309	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)[C@@H](O)[C@H](O)[C@H]1O	100825723	PLORCKNHUZJPKH-BEUVXGGJSA-N	580.542	1.953	0	40	KDAB	endogenous,in-man
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2ccc(OC(=O)C[C@H]4SC(=O)NC4=O)cc2)c2sc(=O)[nH]c2S[C@H]31	101174733	UHDMFVBATFETCL-VFJPAEPKSA-N	615.667	1.641	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	224387221	MYXUZLVSVJXXAA-UHFFFAOYSA-N	509.650	1.720	0	40	KDAB	
Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1C	224443832	XIANRLRAJKZOSH-UHFFFAOYSA-N	525.649	1.286	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1Cl	226061557	LMWWOUASVJNUPZ-UHFFFAOYSA-N	504.030	1.762	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643567002	ORAUKOHQMVYJJM-SVBPBHIXSA-N	588.709	1.901	0	40	KDAB	
Cc1cccc(OC[C@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)c1	2408627	UPNPBXQPNPSPDZ-QUCCMNQESA-N	507.547	1.290	0	40	KDAB	
COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O	5723997	WXEKURFGFTYXMX-OAQYLSRUSA-N	555.499	1.974	0	40	KDAB	
C[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	17576718	VDCJZLSXVUKCOD-XIRDDKMYSA-N	542.010	1.406	0	40	KDAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(NC(=O)[C@H](Cc2cccc(OC)c2OC)NC(C)=O)CC1	38145126	JCDSUZDAXYSGHF-NRFANRHFSA-N	547.630	1.507	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](N[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)CC2	95848794	AQHVYUQJVBQVPK-KMWSJOIXSA-N	505.589	1.477	0	40	KDAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)N1CCOCC1	106709708	HGFVFTOCTXUUBP-ZHZULCJRSA-N	519.576	1.218	0	40	KDAB	
Nc1ncnc2c1ncn2[C@@H]1C[C@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@H]2O1	263613798	ZRKMLPQXPCPPBB-YNDMERRNSA-N	522.153	1.368	0	40	KDAB	
CCOC(=O)CNC(=O)CN1CCC2(CCCCNC(=O)c3cccc(C)c3OCCCNC2=O)CC1	643555888	APWYKJKERDJMBB-UHFFFAOYSA-N	516.639	1.555	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC1=O	643566500	FJSWLYDBRABIMS-WIOPSUGQSA-N	529.682	1.597	0	40	KDAB	
C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	67911597	CMHWMOGWFZWDMR-FVGBAMMESA-N	536.662	1.429	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCCOCC1	104032278	BLLUYOYGDIMHEX-NEWJYFPISA-N	574.712	1.394	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2	224461161	HCSZVFWLABJEQI-UHFFFAOYSA-N	569.658	1.178	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	224500472	LIUAIUFRCCWGQS-LJQANCHMSA-N	572.105	1.957	0	40	KDAB	
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H](O)CC[C@]43C)[C@]2(C)CC[C@H]1O	514287915	IEDTVFQRYOEXGI-VLCPQRHZSA-N	512.684	1.574	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6546820	RQTSMHFAOQHDBX-GOSISDBHSA-N	503.512	1.932	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)cc1	12071477	PKQYSBYRHPNOAV-UHFFFAOYSA-N	514.995	1.975	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cc(C)nc3ccccc23)c(N)n(Cc2ccccc2)c1=O	13057631	UKBJSOBXGFBPFN-UHFFFAOYSA-N	516.510	1.710	0	40	KDAB	
COc1ccc(-c2cc(SC)n(-c3nc(N4CCN(C)CC4)nc(N4CCN(C)CC4)n3)n2)cc1OC	96319457	ZKIXCPIZLSGLMT-UHFFFAOYSA-N	525.683	1.967	0	40	KDAB	
CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	101377204	ZIGQPMDISQMIDN-QHCPKHFHSA-N	535.601	1.091	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)cc1	169306736	LLEMSCWAKNQHHA-SAWSUNJCSA-N	659.773	1.686	0	40	KDAB	in-vitro
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1	222967044	WTJPHNVIXCEMPY-JOCHJYFZSA-N	572.728	1.934	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643569189	MFRVKYMDBICIPY-SVEHJYQDSA-N	591.709	1.996	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	4018335	JNLHZQHCEMLHEB-PSWAGMNNSA-N	624.782	1.041	0	40	KDAB	
CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032490	GHFPAYXJLOKYHO-SFHVURJKSA-N	525.649	1.480	0	40	KDAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2	38772542	MOOPVGHZWXLSOY-UHFFFAOYSA-N	505.534	1.411	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCCOCCOCCOCC2)cc1	39988401	OYXBKZBLZBLDGZ-RUZDIDTESA-N	520.648	1.793	0	40	KDAB	
O=C(NC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2)NC12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2	101474049	UYGAOXYUDPSWIF-GOURLJKBSA-N	566.246	1.047	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]42	103914057	DTTPWCNKTMQMTE-ZLERQSAZSA-N	507.624	1.350	0	40	KDAB	
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	150351358	LQMBVWCQWFEPFK-DKBYMCRTSA-N	827.100	1.304	0	40	KDAB	in-vitro
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1	222634861	GOYQQSAACHAMDM-UHFFFAOYSA-N	531.656	1.990	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224407061	HQZFSDLBQYIYSV-UHFFFAOYSA-N	564.730	1.915	0	40	KDAB	
CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H]([C@](C)(O)[C@H](O)CC)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@@H]2C)C[C@]1(C)OC	255980534	JEBMHQVCOAWRCT-RFXKOANTSA-N	806.092	1.928	0	40	KDAB	
CCOC(=O)CCC[C@@H](NC(=O)c1ccc(N2CCN(c3c(N)nc(N)nc3NC)CC2)cc1)C(=O)OCC	5544973	OLDKTQQMJBVUBD-LJQANCHMSA-N	542.641	1.404	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CSc2nnc3nc(C)cc(C)n23)cc1	19819759	BZTVMAMSVRDXHS-GOSISDBHSA-N	510.580	1.147	0	40	KDAB	
Fc1ccc(N2CCN(C[C@H]3CN4CC[C@H]3C[C@@H]4CNC(=S)NCCN3CCOCC3)CC2)cc1	20503884	AFMREAHZBFKMPB-WRALFONMSA-N	504.720	1.454	0	40	KDAB	biogenic,in-vitro
O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CC1	100771510	TWNWNLQUGGAJEQ-ZRNYENFQSA-N	565.454	1.473	0	40	KDAB	
CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	575425159	YPEQZNNVYWQOPD-NSOVKSMOSA-N	664.784	1.113	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCN(C)C1=O	643565823	OJEKTOWGLQUTGI-FCHUYYIVSA-N	509.607	1.311	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643575986	BFXCTKHHADFFEL-VMPREFPWSA-N	660.816	1.832	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4cc(C(F)(F)F)n(C)n4)[C@H]3SC2)s1	2784473	UBCVIZOUWJWXJW-QMTHXVAHSA-N	520.540	1.743	0	40	KDAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(N)=O)C1	4177779	YVCDCFYWNGNHMU-UHFFFAOYSA-N	568.674	1.897	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	20756002	BNUMKFBPNOFSJR-TWTJARBPSA-N	520.586	1.549	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	26111156	PCWYFAYPKJROHG-GOSISDBHSA-N	523.633	1.756	0	40	KDAB	
Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1N(C)S(C)(=O)=O	224489180	IQQKXBUUKVYDFO-UHFFFAOYSA-N	511.622	1.221	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	257498117	NWPTUAQJIALPLJ-YCTFTPHRSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
CCS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc21	260888264	KRWRNLKCYAZDFD-JOCHJYFZSA-N	523.633	1.583	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)Cn4cnc(Cl)c4Cl)CC3)c3c1OCO3)CCN(C)C2	524729433	TVWYXWGHIIJYOB-UHFFFAOYSA-N	546.433	1.448	0	40	KDAB	biogenic
CC(C)N1CCN(CC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)CC1	585284240	IWIJCPFHPOYGDP-AREMUKBSSA-N	506.619	1.077	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21	1534613058	OFRCNDCNJVBXSY-NSHGMRRFSA-N	507.575	1.549	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Cl)c(C)nn4C)[C@@H]3SC2)s1	2747956	NREKQWVIVINMIT-BMIGLBTASA-N	501.015	1.686	0	40	KDAB	
Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C	3229250	FQTOXGYWSZXLLI-SFHVURJKSA-N	528.587	1.689	0	40	KDAB	
CCn1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)c2ccc(C)nc21	8685975	RJIVOALBTBCOQM-UHFFFAOYSA-N	514.560	1.541	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1	20084209	ZCCHMTWNZSYTSY-NRFANRHFSA-N	507.507	1.030	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	70665104	PHWAJZBFJSWBIQ-ACRUOGEOSA-N	636.699	1.455	0	40	KDAB	biogenic
CC(Cn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C)Cn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	157199175	WQRNORSFILUUTE-UHFFFAOYSA-N	734.866	1.141	0	40	KDAB	
CCOC(=O)NC(=O)c1cn(-c2ccc(CCOC(=O)NCCCCCCNC(=O)OCCc3ccc(-n4c(=O)[nH]cc(C(=O)NC(=O)OCC)c4=O)cc3)cc2)c(=O)[nH]c1=O	195482349	KUADTTNKPAYYML-UHFFFAOYSA-N	862.850	1.936	0	40	KDAB	
COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O	223255370	LQAQNSVVVRTILF-HSZRJFAPSA-N	505.637	1.679	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCNCC1	5413420	HDMKUUIQVQQSIE-XZOQPEGZSA-N	515.630	1.419	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)n3N)n[nH]2)cc1	9540840	FFCJFVPKAIJYMF-UHFFFAOYSA-N	500.566	1.436	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(=O)[nH]c1=O	12895010	RPWBDWMUGKEDJI-UHFFFAOYSA-N	525.603	1.382	0	40	KDAB	
C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	14356802	YQDXRWCJEIWRFC-LPHOPBHVSA-N	521.617	1.944	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C)C(=O)O	253500740	KAGUOCQKGRJBBP-WFVYNYOESA-N	796.992	1.853	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]4CC[C@]4(C)[C@@H]6[C@H](C[C@H]54)O[C@@]4(CC[C@@H](C)CO4)[C@H]6C)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O	253534746	VNONINPVFQTJOC-ZURPLZTFSA-N	869.055	1.242	0	40	KDAB	biogenic,in-vitro
CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	575425161	YPEQZNNVYWQOPD-WUFINQPMSA-N	664.784	1.113	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574662	HZONIQUAACYQSI-LNGZGTQPSA-N	648.805	1.496	0	40	KDAB	
CC(C)[C@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879640	IRFPACVSXOEVDE-HKBOAZHASA-N	533.025	1.878	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6905012	VPCWGBUUPGOFKA-HXUWFJFHSA-N	513.576	1.992	0	40	KDAB	
O=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	13831709	YSJHUWULIFMJAJ-UHFFFAOYSA-N	503.396	1.916	0	40	KDAB	
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O	14111018	OESPDHXYZFYUPP-RUZDIDTESA-N	514.604	1.527	0	40	KDAB	
CCn1c(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3	28555683	VCZQFYZGLRHADW-UHFFFAOYSA-N	513.576	1.657	0	40	KDAB	
COCCN(C(=O)COC(=O)Cc1c(C)nc2ccccc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32943434	BQRNCPCQFWETQQ-UHFFFAOYSA-N	511.579	1.705	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1	100227250	QDLVWRCDZZBCQZ-MRXNPFEDSA-N	561.393	1.418	0	40	KDAB	
C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	100869539	JIUQQLFQWGFIKL-JDTCSVLSSA-N	576.628	1.722	0	40	KDAB	
C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	102975769	TYCXHFUJWUJKEE-LBPRGKRZSA-N	554.503	1.914	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(Br)cc2)c(N)n(Cc2ccccc2)c1=O	103087031	CAJVEIHGWIGRKD-UHFFFAOYSA-N	560.357	1.381	0	40	KDAB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	103093641	QPWIIMVZOLULDA-UHFFFAOYSA-N	579.628	1.083	0	40	KDAB	
C[C@@H](N)C(=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc2ccccc2c1	150342222	VJBAWMTTYDQWBO-GLIRHJGLSA-N	817.992	1.754	0	40	KDAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224290902	CRSJKKPEHVRUSD-SFHVURJKSA-N	525.649	1.829	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@@H](OC)[C@@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	252694315	IPWQJEONCUFCOR-LKZMFBHYSA-N	710.821	1.952	0	40	KDAB	biogenic
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CC(=O)N1C	643571655	OECWNVUFDQBCDJ-WQVVOCBYSA-N	642.798	1.215	0	40	KDAB	
NC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H](SCc2ccc(F)cc2)CCN1C(=O)COCC(=O)O)c1cccs1	4151635	UAUGLUQLPCJCOE-OTWHNJEPSA-N	537.635	1.967	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1CO[C@@H](Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5940401	AYHXGRCDXNVITL-HKJQZYRSSA-N	517.495	1.354	0	40	KDAB	
Nc1nc(O)c2nc(CCNc3c(Cl)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3Cl)cnc2n1	8637299	LUACTCWCHAJXRX-LBPRGKRZSA-N	524.321	1.717	0	40	KDAB	
COc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600218	VRQWUMZZRXHXFS-GOSISDBHSA-N	512.382	1.237	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(OC)cc3)nc3c2c(=O)n(C)c(=O)n3C)CC1	11758122	YXBYWEJZCJAWIF-UHFFFAOYSA-N	528.591	1.096	0	40	KDAB	
COCCN(C(=O)COC(=O)c1cc2c(s1)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12881406	DJPIWGGFHDXOPB-UHFFFAOYSA-N	512.588	1.944	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)[C@@H]2SC1	13640322	IUTVAJOSFKUTOP-DBWXIBMXSA-N	515.386	1.200	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1	100277765	TZKMHXKIKPDREE-YKSBVNFPSA-N	557.677	1.890	0	40	KDAB	
COc1ccccc1N(CCCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)S(C)(=O)=O	223128517	PLBKXJOXRJKEEI-UHFFFAOYSA-N	541.648	1.910	0	40	KDAB	
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1	225509964	OIRPZXLPSFTLLO-SFHVURJKSA-N	523.633	1.756	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)cc3OC)cc2)c(OC)c1	575424990	DEZOFRHEYUFNSD-FGZHOGPDSA-N	642.730	1.875	0	40	KDAB	
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCC1	4018356	PUEHTZIETDQCKV-VSGBNLITSA-N	652.836	1.821	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6546828	KEKVQPRNCMSCDF-GOSISDBHSA-N	503.512	1.932	0	40	KDAB	
CCOC(=O)C1=C(CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)NC(=O)N[C@H]1CC	22920538	KCKPTQHNBNAFDR-INIZCTEOSA-N	514.652	1.890	0	40	KDAB	
C[C@H](NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	100869533	JIUQQLFQWGFIKL-OCFAPWSASA-N	576.628	1.722	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)Cn4cc(Cl)cn4)[C@H]3SC2)s1	102657027	PCITUFYFGPAUGA-JIYNIHLBSA-N	515.042	1.863	0	40	KDAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224495605	SKOLGULAUFHMBI-HSZRJFAPSA-N	555.675	1.456	0	40	KDAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)c1	408656767	OHXDOADOXQRFPW-CQSZACIVSA-N	501.492	1.396	0	40	KDAB	
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1	643556943	PFANSRKNIWGTIK-HHHXNRCGSA-N	545.658	1.883	0	40	KDAB	
O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCc1ccc2c(c1)OCO2	2037879823	RVHDPZANPASOMV-LJAQVGFWSA-N	534.613	1.999	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cccn3C)[C@@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)c1	4200977	SFFHBECZEVGLPE-ONTIZHBOSA-N	538.630	1.713	0	40	KDAB	biogenic,in-vitro
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21	5665527	JELXXCPBJSOBIB-XGOKJXSNSA-N	572.618	1.640	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1	59853507	OYLBBYCMMQCEGN-HXUWFJFHSA-N	546.023	1.535	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)n1	59924517	LOZDPFLILKGTQZ-UHFFFAOYSA-N	533.588	1.762	0	40	KDAB	
OCC(CO)(CO)NC[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21	98048116	QFUNDOVMQXMILT-AWEZNQCLSA-N	596.203	1.670	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@H]14	100755950	NNDHDYDFEDRMGH-CCONKYERSA-N	586.726	1.718	0	40	KDAB	in-vitro
O=c1[nH]c2cc(S(=O)(=O)N3CCOCCOCCN(S(=O)(=O)c4ccc5sc(=O)[nH]c5c4)CCOCCOCC3)ccc2s1	150643847	NGBYJSHSQPCMHA-UHFFFAOYSA-N	688.828	1.254	0	40	KDAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224289408	SKQACAOGCHVPTH-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
CCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)CCCCCCCCCCC[C@H](O)CC(=O)O)[C@H](O)[C@H]2O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1O	604377650	YUIAZLFHCZYXSQ-ISMDKKGXSA-N	854.981	1.139	0	40	KDAB	biogenic,in-vitro
CN1CCN(CC(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1	643577892	HNAAFACQHSNKSF-IZZNHLLZSA-N	530.710	1.184	0	40	KDAB	
COc1ccc2c(c1)CCc1cnn([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c1-2	5410410	SWJRKNKSOYQLAM-VEGUDHRVSA-N	530.530	1.913	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6546613	VKMLRFTWNLFCEX-OAQYLSRUSA-N	541.586	1.914	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6546777	SNKNCJQLEFNAOM-OAQYLSRUSA-N	525.587	1.896	0	40	KDAB	
O=C1C(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(=O)C(=O)N1C[C@@H](O)COc1cccc2ccccc12	8440175	SGRXXBMKPVPAQD-FGZHOGPDSA-N	542.544	1.897	0	40	KDAB	
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	12850295	UJHQGGXFILRJPI-UHFFFAOYSA-N	508.618	1.544	0	40	KDAB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	13523872	NKIXFEVPWOZAMJ-MRXNPFEDSA-N	515.009	1.621	0	40	KDAB	
Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(C)c2oc1=O	15954338	HECFZBDSQFQFCH-WINIVTDRSA-N	513.591	1.483	0	40	KDAB	biogenic
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F	100143309	VFPPDPSKIFZPBS-SFHVURJKSA-N	500.842	1.867	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O	150377349	LRVSRJCCIDBURD-GSDHBNRESA-N	655.749	1.403	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	257619570	XERVTTUAMKCJIM-YBYBAPMOSA-N	740.928	1.442	0	40	KDAB	endogenous,in-man
O=S1(=O)C[C@H]2[C@H](C1)SC(=S)N2CCCCCCN1C(=S)S[C@@H]2CS(=O)(=O)C[C@H]21	12174708	OWJNEVVWEFAPIV-KPWCQOOUSA-N	500.780	1.545	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1OC	59837529	AIMOGYKSVIWSTG-UHFFFAOYSA-N	533.628	1.859	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1	95786012	RZQHWSDMLZHIRN-ZNPATOJXSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(I)cc1	96022557	JJOVPOMGAIBSLV-KSZLIROESA-N	535.287	1.588	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1	100337133	DZVVFSBUROFASJ-IDISGSTGSA-N	568.598	1.880	0	40	KDAB	
O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1[C@H](c1ccncc1)c1c(O)[nH]c(=O)n(Cc2ccc(F)cc2)c1=O	102412584	USSFIGLCPCFUHM-HXUWFJFHSA-N	561.501	1.748	0	40	KDAB	
c1ccc(-n2nnnc2OCCN(CCOc2nnnn2-c2ccccc2)CCOc2nnnn2-c2ccccc2)cc1	103705695	AAIJRTLUZNVTCN-UHFFFAOYSA-N	581.601	1.453	0	40	KDAB	
C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2	110518943	FYSGSJYHTVGYLT-FCIYXJNOSA-N	506.669	1.897	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c(OC)c1	224289497	NVKKURKOABTKNX-UHFFFAOYSA-N	541.648	1.450	0	40	KDAB	
O=C(c1ccc(O)nc1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578243	TXDMNJGCLDWAJU-XZOQPEGZSA-N	512.607	1.746	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)C(C)(C)N)CCCCOC[C@@H](O)[C@H]1O	643586407	RPIZRNPOZGZNMF-WXFUMESZSA-N	525.662	1.797	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6C[C@](C)(C(=O)O)CC(=O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	1534688762	LEEDBDNBNJDNMW-XTSAXMBLSA-N	955.101	1.005	0	40	KDAB	biogenic,in-vitro
CC(C)=CCC[C@@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C	2060999593	NJPDRQDELKMUTI-DNQYFONHSA-N	931.167	1.002	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1OC(=O)COc1ccc(Cl)cc1C	59603625	RWHQILFVSQZCFE-LKZJFHPWSA-N	529.926	1.227	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	67337716	QSDLABFLDRLJLM-UHFFFAOYSA-N	524.043	2.000	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)N[C@H](CCCC(=O)OC)C(=O)OC)CC3)cc21	98007314	FGKALUCJARUKRG-GOSISDBHSA-N	550.609	1.740	0	40	KDAB	
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1=O	102850417	MXXQWNRCSDVPKS-SANMLTNESA-N	542.614	1.588	0	40	KDAB	
Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1[C@H]1COc2ccccc2O1	103062322	JIVHSQPWNUXNLC-LJQANCHMSA-N	551.050	1.783	0	40	KDAB	
C[C@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222854779	JNHKBTYTRSXYNM-LJQANCHMSA-N	537.610	1.141	0	40	KDAB	
CCC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	253613657	PRGWPEPFIYKYJJ-OSFFKXSWSA-N	510.492	1.750	0	40	KDAB	
CO[C@H]1C[C@]2(O)[C@@H]3C[C@@H]4[C@@]5(CC(=O)c6ccccc6NC(C)=O)CC[C@@H](OC)[C@@]4([C@@H]4C[C@@]1(O)[C@H](OC)[C@@]42O)[C@@H]3N(C)C5	255962847	APSFXRUTRLTKQA-AMOCLDNMSA-N	584.710	1.610	0	40	KDAB	in-vitro
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)c1	408658231	QIEGGNMIHMTMTR-OAHLLOKOSA-N	501.492	1.396	0	40	KDAB	
CN1CCN(C2=Nc3cc(Cl)ccc3N([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]3O)c3ccccc32)CC1	504799689	YWWIDMPXCSUNRD-WKHGPKRUSA-N	502.955	1.009	0	40	KDAB	in-vitro
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)n2N)c1	3448533	XQSUYSGIZXEMNF-UHFFFAOYSA-N	516.609	1.590	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1	9576544	OYLXOSGZXFWQMY-JOCHJYFZSA-N	500.577	1.389	0	40	KDAB	
COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1	15982158	SCCFHVYGANHZBI-AYSMAOOMSA-N	507.609	1.692	0	40	KDAB	
CCOc1ccc(OCCC(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	32666500	DNLIMCNLYZUTBU-UHFFFAOYSA-N	510.547	1.931	0	40	KDAB	
Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224451186	XKSOSACODAZYIT-FQEVSTJZSA-N	539.676	1.674	0	40	KDAB	
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC	252515142	HOFGZJTZROMXRO-QDNWAHDXSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@@]54C)[C@@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257469610	KYWSCMDFVARMPN-ZCJSANHLSA-N	780.993	1.777	0	40	KDAB	
Oc1ncnc2c1ncn2[C@@H]1C[C@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@H]2O1	263599600	JCEQFKTYTDQNAZ-YNDMERRNSA-N	523.137	1.491	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643573497	PIIBFZWLOVHCOB-NCOMLRJUSA-N	628.815	1.736	0	40	KDAB	
N[C@H](C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@@H](Cc1ccccc1)NC2=O)C1CCCCC1	1615702577	GLYCPOAIHYJCTC-RPBOFIJWSA-N	535.693	1.584	0	40	KDAB	
COc1cc(CC2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC	2099942	XCVPKARWEVZHBB-RTBURBONSA-N	538.601	1.573	0	40	KDAB	biogenic
CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@H](CC)C(=O)O)ccc1-2)C(=O)O	6631905	SIKHNQGLVRNUCB-HDICACEKSA-N	510.546	1.181	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	15956737	YOCPCFLXSNTXKR-CPVJYWEUSA-N	526.977	1.504	0	40	KDAB	biogenic
CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	29748943	NNDHDYDFEDRMGH-IUQDZDMUSA-N	586.726	1.718	0	40	KDAB	in-vitro
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	59838746	LBIRSCLIABODJO-UHFFFAOYSA-N	551.687	1.823	0	40	KDAB	
CCOC(=O)[C@@H](Cc1cc(I)c(OS(C)(=O)=O)c(I)c1)NC(C)=O	102648157	SXOCYBZKHQVRFI-GFCCVEGCSA-N	581.166	1.845	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1	575422939	DNNKDIYNYRDEEW-XLLXOSNRSA-N	615.560	1.020	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCNC(C)=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585281005	VAVLRLZDJRZQAZ-MHZLTWQESA-N	535.588	1.971	0	40	KDAB	
Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1	8680682	JAHWIZMBXJXWMQ-OKWQISIBSA-N	506.559	1.958	0	40	KDAB	
CCCOc1ccc(/C=c2\s/c(=C\C(=O)OCC)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1OCC	16045032	LDYUIIROYKVHHJ-KDOSIMBXSA-N	518.632	1.565	0	40	KDAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1	17247193	MYIAJEMPNAHJGS-OKILXGFUSA-N	520.633	1.802	0	40	KDAB	
COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]45O[C@H]4C(=O)[C@]1(C)C[C@]2(O)[C@H]4[C@@]35O	100060223	HOUJKWFMLMSPNW-DUHTYQCCSA-N	516.543	1.063	0	40	KDAB	biogenic
CCCCC[C@H](O)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	253388196	VVUAHGLHHLVKDR-SYFLZKHFSA-N	740.925	1.314	0	40	KDAB	biogenic,in-vitro
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	257198699	GHUUTEXYFBCKSM-WZPGYOEBSA-N	738.912	1.361	0	40	KDAB	
CCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	504238376	RIXAWIIOMSMOQB-JFOHGXHASA-N	578.644	1.934	0	40	KDAB	biogenic
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15957278	BXEZXMPVDQZFPE-SDMYACPNSA-N	510.934	1.563	0	40	KDAB	biogenic
Cc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)s1	32666492	WFJWINVEWDNANI-UHFFFAOYSA-N	527.603	1.499	0	40	KDAB	
CC(=O)O[C@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)[C@@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C	84459778	YWLXLRUDGLRYDR-CQRGSRGDSA-N	544.597	1.082	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	100162559	KOHRSPITWOPBEG-SIUQCBEUSA-N	553.413	1.647	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643574860	VZSSMVFYBCPBGM-FXVJXKIMSA-N	623.751	1.437	0	40	KDAB	
CCCN(CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@H]1CC(C)C)C[C@@H]1CCCO1	643586675	MZSRZTFPWGSDCD-TUDBGTMHSA-N	543.746	1.516	0	40	KDAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(C)(C)C=C4)cc1	1615811145	WNTBDGJNPGBIQF-WLIZNQEHSA-N	658.653	1.417	0	40	KDAB	biogenic
CC(=O)N[C@@H](CC[S@](C)=O)C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037829060	JZTIIXMOXOQOAA-YGMFVLNXSA-N	600.782	1.467	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)[C@@H]1CN(c3cnccn3)CCO1)CC2	2037879542	COUDFTSFQYUMCH-RCTAOEEJSA-N	568.719	1.693	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O	2332242341	IAGSHEHQJJTLLR-KEQIBMLISA-N	883.082	1.984	0	40	KDAB	
C/C(Cl)=C/Cn1c(=O)n([C@H]2CC(=O)N(c3ccccc3)C2=O)c(=O)n([C@H]2CC(=O)N(c3ccccc3)C2=O)c1=O	53336829	OXCFCVZHTJPCEJ-YXOXSWSVSA-N	563.954	1.324	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@H]1CCS(=O)(=O)C1	96021876	YCLZYKMQJDGSNV-INIZCTEOSA-N	532.999	1.760	0	40	KDAB	
CC(=O)N1CC(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)C1	643578843	JGNKXGDVKZALFY-LOSJGSFVSA-N	515.651	1.415	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Br)c(C)nn4C)[C@@H]3SC2)s1	2758675	LFLVEYPMNSAFLX-BMIGLBTASA-N	545.466	1.795	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N[C@@H](Cc1ccccc1)C(=O)O)n2C[C@H](O)COc1ccc(Cl)cc1	10274130	FVRFBKRLIYDGTE-WMZOPIPTSA-N	513.938	1.624	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)c(C)c1	14358334	NDUFTHPIUPMPQM-UHFFFAOYSA-N	524.599	1.598	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C	36418868	NHIKPSCRZQKVBK-GGAORHGYSA-N	519.595	1.458	0	40	KDAB	
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	70664707	LYAGMCSCYXQWFA-DSITVLBTSA-N	606.680	1.677	0	40	KDAB	biogenic
Cc1nc(O)c(C(CCC(c2c(O)nc(C)nc2O)c2c(O)nc(C)nc2O)c2c(O)nc(C)nc2O)c(O)n1	101462238	KQACDKREKYORME-UHFFFAOYSA-N	554.520	1.469	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1cc(F)c(O)nc1=O	257322333	WFNIAAXKILJTFE-LVXARBLLSA-N	544.580	1.477	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409118448	QFGSZUACUNKQQL-AGGMBTAESA-N	503.536	1.874	0	40	KDAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	409138129	ZAMCRTXLQGZADE-UMUMUWHJSA-N	512.588	1.832	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643566919	ZPXGBHBSMCMMSP-KYJUHHDHSA-N	627.742	1.902	0	40	KDAB	
Cc1cnc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N3CC[C@@H](C)C[C]3C(=O)O)cccc2c1	1560407651	YSXOZASBWXDQKS-PBHICJAKSA-N	548.602	1.151	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@@H]3[C@@H](C[C@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]43C)[C@@]3(C)C[C@@H](C)[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O	1857787602	ODVSKBPWRRQPNN-WFWSSUJDSA-N	801.024	1.215	0	40	KDAB	
CSCC(=O)N1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	4200870	CILUHRCLASWGMF-BWAGFHJFSA-N	528.679	1.645	0	40	KDAB	biogenic,in-vitro
COc1cc(NC(=O)c2cc3ccccc3cc2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(OC)cc1Cl	4544942	UJPWFVGXQNDAFV-BKXWLNCVSA-N	519.934	1.941	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCCOCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1	150606547	IMSCNTQJQHTMSG-VSGBNLITSA-N	712.888	1.074	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1	222666738	KGSHRWYEOPYVLS-UHFFFAOYSA-N	521.617	1.816	0	40	KDAB	
COc1ccc(OC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	254556982	ZLUXQKPMUHNNTK-FDKIHUSFSA-N	513.521	1.032	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043184	YADTWKNLURWCCA-DLKZCTAGSA-N	678.745	1.765	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(N)=O)c(OC)c3)C2=O)o1	409401735	ZHIQJLVWOYAFGA-MLPAPPSSSA-N	555.281	1.636	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)N2CCC(O)CC2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O	643565373	YENIQGYEQGPQRZ-VABKMULXSA-N	530.666	1.613	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1	2730754	KEWFPRTVCZZPJJ-SWLSCSKDSA-N	534.567	1.901	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4cc(Cl)c(C)n4)[C@@H]3SC2)s1	2809230	ULUSWTFNYOCDPK-CJNGLKHVSA-N	515.042	1.926	0	40	KDAB	
CC(=O)NCSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	15969852	MVFOPTCIOACAGO-SFTDATJTSA-N	523.571	1.351	0	40	KDAB	biogenic
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br	38152772	PDLMTHTTWGXGGU-NSHDSACASA-N	518.249	1.526	0	40	KDAB	
COc1ccccc1OCCNC[C@@H](COc1cccc2[nH]c3ccccc3c12)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O	97943143	PUVQFGCELBOSRN-ZXOYCXOUSA-N	582.606	1.655	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC	100277243	MYSXCORUXMABHX-XLIONFOSSA-N	552.588	1.799	0	40	KDAB	
C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	102777954	SONJGXYRQUTSGZ-ZYSHUDEJSA-N	526.011	1.280	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	103101378	FUDXJAOPVFVOHM-UHFFFAOYSA-N	551.643	1.596	0	40	KDAB	
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3cccc(Cl)c3)N1)[C@@H](O)[C@H]2O	225445087	XGKIKVKXOMHGCN-HDWXRUPBSA-N	635.108	1.300	0	40	KDAB	
O=C1NCC[C@H]2CN(C(=O)OCc3ccccc3)CC[C@H]2CC(=O)N2CCC(CC2)N2CCC[C@H]2C(=O)N[C@@H]2CN[C@H]1C2	2332241382	XZNNSKPRYGBXPA-OQWKOXFXSA-N	594.757	1.473	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc5c(c4)OCO5)CC3)nc21	2330459	UTSDRQYRWYRLQE-UHFFFAOYSA-N	510.532	1.075	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1	20031891	VTAAUICCWTXJLH-OAHLLOKOSA-N	516.439	1.814	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1	67337489	WGBXHYXVJVVRJK-UHFFFAOYSA-N	532.667	1.945	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	70665106	PHWAJZBFJSWBIQ-HKBOAZHASA-N	636.699	1.455	0	40	KDAB	
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CC[C@H](O)N4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	72131390	AHRNWGXNCFKOII-URLNXVRLSA-N	599.688	1.400	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224345599	JZJGJUNKALSZAH-UHFFFAOYSA-N	581.713	1.628	0	40	KDAB	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	575424377	KPBSEZSMBFRHMF-ZJUUUORDSA-N	504.628	1.924	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@H]3N(S(=O)(=O)c3cc(C)c(C)cc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C	575424874	VLMUEQPUKCAXET-YCAMKHIRSA-N	630.832	1.564	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOc3ccccc3C(=O)N2)cc1	643565747	IXMLPNWJSSLRDJ-UIOOFZCWSA-N	574.634	1.615	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568014	FODFGRVBIDDXEI-CRRLPVGBSA-N	565.715	1.894	0	40	KDAB	
Cc1[nH]c2ccccc2c1C[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	953075805	RVWNMGKSNGWLOL-HQLIQWLRSA-N	887.059	1.337	0	40	KDAB	
CC(C)[C@@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	2037879737	NCUJPUNUVTUFGR-UFYCRDLUSA-N	534.997	1.194	0	40	KDAB	
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	4147987	LKZLQJABZQOXQG-DNQXCXABSA-N	572.665	1.046	0	40	KDAB	biogenic,in-vitro
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	12562831	ASIZCQZRWUHATB-UHFFFAOYSA-N	527.621	1.461	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)CC1	12620569	FTTBSXCMJDNTGE-UHFFFAOYSA-N	524.621	1.651	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=S)NCCCN1CCOCC1)OCCO3	19940549	MJTNSMJZRYJPGX-HXUWFJFHSA-N	502.637	1.877	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccccc3Cl)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712218	UIBDVSGDFNBCJN-DOSYZEEDSA-N	555.009	1.884	0	40	KDAB	biogenic
CO[S@](=O)(=S)CCNC(=O)[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	72131090	WWCPISCDFZLLAA-PNZRFKPDSA-N	743.012	1.989	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O	110546505	JAFHRXBUMPKHBC-KKKDIUQISA-N	520.318	1.806	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COc2cccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)c2)cc1	256055837	WCEBLLLGKOUUIZ-MOSHPQCFSA-N	534.579	1.426	0	40	KDAB	
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCNC(=O)OC(C)(C)C)cc2)[C@@H](O)[C@@H]1O	257242256	IBRQPTCHXURQTK-VURPSTOHSA-N	541.609	1.627	0	40	KDAB	
CCO[C@H]1OC(=O)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C	669678939	SJDDOCKBXFJEJB-PSHPWPFNSA-N	509.003	1.852	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(CCC(C)(C)C)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548888784	AORNEKOLZQMRJS-RTWAWAEBSA-N	560.721	1.776	0	40	KDAB	
COc1ccc(C[C@@H](NC(=O)NSc2ccccc2)C(=O)N[C@H]2[C@H](O)[C@@H](n3cnc4c(N(C)C)ncnc43)O[C@H]2CO)cc1	4803638	CKCKOHXJUYIKSC-NZRQHWDYSA-N	622.708	1.254	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H](C)[C@H]1OC(C)=O	5048981	MYVHPLAZTWAKDL-AYSWGZFKSA-N	511.491	1.791	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@H]2SC1	8715743	HNETYTVYQRECAI-FZKQIMNGSA-N	504.899	1.653	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1F	12498882	HDRTZVWPJULCJC-UHFFFAOYSA-N	515.585	1.902	0	40	KDAB	
COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)C1	12543316	PCZAWMAQXPUDCI-MRXNPFEDSA-N	509.606	1.714	0	40	KDAB	
O=S(=O)(c1cccc(Cn2cc(-c3cnn(Cc4cccc(S(=O)(=O)N5CCOCC5)c4)c3)cn2)c1)N1CCOCC1	102878485	VQFVQGNTEXLRKQ-UHFFFAOYSA-N	612.734	1.885	0	40	KDAB	
COCCN(C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	104260264	APIKISNMZVPULE-BXWMAURHSA-N	526.590	1.021	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@]1(O)[C@H]2OC	249698258	VSUODASNSRJNCP-LQZSHWOKSA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccoc2)[C@@]12O[C@H]2C(=O)O	255240337	MXZVBPOYCKIXHN-FNBRAXOMSA-N	634.675	1.269	0	40	KDAB	biogenic,in-vitro
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CCC(=O)N[C@@H](CC(N)=O)C1=O	643568917	OIRLYGPYPSGDHE-VXKWHMMOSA-N	569.634	1.009	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN2CCC(N3CCOCC3)CC2)CCCCOC[C@@H](O)[C@H]1O	643586690	PYOFZILHYBCBMF-UGUWQOMFSA-N	650.833	1.855	0	40	KDAB	
COc1cc(OCCOCC(=O)OCCOCC(=O)O)c2c(=O)c(-c3ccc(OCCOCC(=O)OCCOCC(=O)O)cc3)coc2c1	2061000231	KKHKHRKIUBSNGH-UHFFFAOYSA-N	692.623	1.548	0	40	KDAB	
COc1cc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)[nH]c(=O)c2cc1OC	13134736	AMBUIAHHDALTNH-UHFFFAOYSA-N	502.549	1.218	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	20031042	ANKXFBFMHZHOGV-UHFFFAOYSA-N	516.041	1.688	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1	30856150	DDSAOICSGLSHHN-UHFFFAOYSA-N	523.633	1.894	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc(O)c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1	95548070	TWOWSRSKGJSZHZ-PYBPKYSESA-N	772.856	1.034	0	40	KDAB	in-vitro
CCCCC[C@H](O)[C@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C\C=C/C=C\C=C\C=C(/C)[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1O	100134805	IMQSIXYSKPIGPD-UAUDKMRTSA-N	654.838	1.888	0	40	KDAB	in-vitro
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O	252394534	POXCHDLYCJFKBU-BCOJKNMUSA-N	577.679	1.039	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@H]3C(=O)NC[C@H]1O2	253404818	RKJROGPATWYZFL-FEVSWUGISA-N	527.666	1.888	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	254347253	BJNLCTXPPRPFFK-UTBUEMAESA-N	517.940	1.676	0	40	KDAB	
COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC	6239535	IYPDCILTRIHGKP-HOYKHHGWSA-N	549.588	1.851	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N	6546649	HJMPLNXKJIFYRP-GOSISDBHSA-N	503.512	1.619	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C)c(=O)n2Cc1ccccc1	12539887	YOLZYXXEXWKMNL-RTBURBONSA-N	511.579	1.387	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@H]1c1ccco1	102220672	IACZDTQYYNQNNJ-FQEVSTJZSA-N	553.977	1.982	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)[C@@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	1569985893	XCLJRCAJSCMIND-FBTXVDMYSA-N	734.969	1.544	0	40	KDAB	
CCN(C(=O)COC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1	3376149	BKUJSGSISKFQQF-GOSISDBHSA-N	544.582	1.692	0	40	KDAB	
O=C(N[C@H]1CCS(=O)(=O)C1)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1	98000199	NPSOXMZJKHYXEE-IYBDPMFKSA-N	572.639	1.070	0	40	KDAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	150399475	JOURHOHBSOYHNQ-KOMPESINSA-N	788.947	1.276	0	40	KDAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222863396	COWADIHUAXBBBY-OAQYLSRUSA-N	534.654	1.453	0	40	KDAB	
O=S1(=O)C[C@H]2SC(=S)N(CCCCCCN3C(=S)S[C@H]4CS(=O)(=O)C[C@@H]43)[C@H]2C1	245241792	OWJNEVVWEFAPIV-XDQVBPFNSA-N	500.780	1.545	0	40	KDAB	
CN1CCCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)CC1	643568991	IEAQERDIEMCLQL-DQEYMECFSA-N	549.672	1.308	0	40	KDAB	
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	12541512	NBOAZMBLRXENAO-UHFFFAOYSA-N	520.951	1.184	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21	100873610	BHKKSAKQTSWYCP-XDOYNYLZSA-N	512.635	1.378	0	40	KDAB	
COc1cc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)C2=O)cc(OC)c1OC	524729974	PTUSGMGTMFDZOL-NEPXVJNWSA-N	514.579	1.777	0	40	KDAB	biogenic
C[C@H](O)C(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O[C@H](C)C(=O)O	2060999826	VNKAYSKYAPOBNN-MVKOHCKWSA-N	577.109	1.026	0	40	KDAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	10385833	VLIZZZQKYJMUOA-VQTJNVASSA-N	514.535	1.470	0	40	KDAB	
COCCN(C(=O)COC(=O)Cc1coc2cc(C)ccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12914617	HQSOWAYZSVAADF-UHFFFAOYSA-N	520.542	1.987	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1	59838162	ZWQMUVANZMDJFS-UHFFFAOYSA-N	546.067	1.697	0	40	KDAB	
O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1[C@@H](c1ccncc1)c1c(O)[nH]c(=O)n(Cc2ccc(F)cc2)c1=O	102412583	USSFIGLCPCFUHM-FQEVSTJZSA-N	561.501	1.748	0	40	KDAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)CC1	102851417	UKOFANLLPHXJHP-JOCHJYFZSA-N	541.533	1.193	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000432	NWPTUAQJIALPLJ-HJHWFIETSA-N	801.024	1.120	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6546763	YZTPYJOJXYIUJZ-HXUWFJFHSA-N	511.560	1.906	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2OC(F)F)c(N)n(Cc2ccccc2)c1=O	13117078	QGSSELOZNWXEKJ-UHFFFAOYSA-N	517.441	1.455	0	40	KDAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC	13150598	JJIOJJIYRGYLFJ-NRFANRHFSA-N	507.584	1.860	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCCOCCOCCOCC2)cc1	39988400	OYXBKZBLZBLDGZ-VWLOTQADSA-N	520.648	1.793	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	215961497	SWNLEHRMQUHTKH-UHFFFAOYSA-N	533.588	1.559	0	40	KDAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)cc1	408653583	IPKIIRMCSLZVFV-GOSISDBHSA-N	527.530	1.946	0	40	KDAB	
COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	409148613	YUUSZQJZIXIOOT-OQLLNIDSSA-N	529.365	1.905	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@@H](C)O[C@H](C)C1	585139640	YGKNMQCWVJOQAC-IODQNAANSA-N	504.605	1.125	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc2c(C)cc(=O)oc2c1	9404216	UXRGMYFQEBYUQU-QJRASEFVSA-N	505.476	1.136	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	257498116	NWPTUAQJIALPLJ-VUITYTRTSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
O=C1NC[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(-c2ccc(N3C(=O)NC[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1	575421604	JEWKXYCENAKGCH-YHBROIRLSA-N	530.628	1.239	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643566471	YMWBBQBBVAQOGE-CUNXSJBXSA-N	568.671	1.933	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566854	KTUOBXACRKTGCF-JJTGBXKASA-N	541.693	1.692	0	40	KDAB	
C[C@@H]1NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)CC(C)(C)C)NC1=O	643580760	QAGGUYJWFLMVFT-YWRKFBSTSA-N	637.778	1.609	0	40	KDAB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1N	1622837	SYKJXMUROJUIOL-UHFFFAOYSA-N	516.531	1.723	0	40	KDAB	
CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl	3323820	HIMAQQPEHXTZKN-GFCCVEGCSA-N	515.437	1.730	0	40	KDAB	
O=C(c1ccco1)N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@@H]2CCCO2)CC1	6445847	HNYQBNYRPPOFFZ-GAJHUEQPSA-N	533.545	1.563	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1	9159911	NUERHNCURYGMOC-AVRDEDQJSA-N	501.605	1.713	0	40	KDAB	
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13095156	WLMACDDMUWOMAE-UHFFFAOYSA-N	504.512	1.036	0	40	KDAB	
COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	44901650	JGIIDNULZXJKTG-UHFFFAOYSA-N	523.633	1.894	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C=O)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O	67913201	YINNEDVQUNYQEZ-CPNYEUQRSA-N	664.833	1.613	0	40	KDAB	biogenic,in-vitro
COc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1S(=O)(=O)N1CCOCC1	103130331	MAXRNCOTWDXWME-HXUWFJFHSA-N	541.586	1.299	0	40	KDAB	
NC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524730940	CZWAPYJCSUJWSF-IMFGXOCKSA-N	519.554	1.905	0	40	KDAB	biogenic
O=S(=O)(c1ccccc1)N1CCOCCOCCN(S(=O)(=O)c2ccccc2)CCOCCOCC1	616581066	KXGHSVMGFLOSOF-UHFFFAOYSA-N	542.676	1.448	0	40	KDAB	
CC(C)[C@@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)[C@H]2CCCN2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O	1616108885	WSJJWGRTZGFKFK-JNGVYSEMSA-N	658.804	1.021	0	40	KDAB	
CCCCN1[C@H]2OC(C3O[C@@H]4[C@@H](O3)N(CCCC)S(=O)(=O)N4CCCC)O[C@H]2N(CCCC)S1(=O)=O	98003592	RHDVHUPVZSQBQH-LBZTZSLCSA-N	554.732	1.962	0	40	KDAB	
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225137715	YIQMSWPIVHBWOJ-UHFFFAOYSA-N	515.057	1.844	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C)C(=O)O	253500735	KAGUOCQKGRJBBP-GEOFKEMKSA-N	796.992	1.853	0	40	KDAB	biogenic,in-vitro
CO[C@H]1C[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4[C@H](O)[C@@H](O)[C@]4(C)[C@@H](C(C)=O)CC[C@]54O)C3)C[C@H]2OC)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O	253529810	UPGNUKWUJCJKHN-ASZHSHDQSA-N	798.964	1.494	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	575426333	RETZWXQMHJEBFA-FTJBHMTQSA-N	696.782	1.775	0	40	KDAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1	575426390	SLHHVQJYCRMSQF-RPWUZVMVSA-N	696.782	1.775	0	40	KDAB	
COC[C@]12CC[C@@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@H]5[C@](OC(C)=O)([C@H]([C@@H](OC)[C@@H]13)[C@H]4N(C)C2)[C@H](O)[C@H]6OC	584578309	FIDOCHXHMJHKRW-XVIDQNIVSA-N	615.720	1.287	0	40	KDAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC1=O	643577990	LRPQKEGDFBZRPE-LEWJYISDSA-N	503.644	1.015	0	40	KDAB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)c3cc4c(=O)n(CC5=CCS(=O)(=O)C5)c(=O)n(C)c4nc3C[C@H]1C)C2=O	1547211060	LQLYYUGVKWNEAS-MUDIAHQHSA-N	602.021	1.510	0	40	KDAB	biogenic
COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccc(OC)c(OC)c2)cc1	2383397	FMTBZLXEDWDMRL-DEOSSOPVSA-N	548.474	1.945	0	40	KDAB	
Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	19821001	NRLBAHPXXPFYBV-HSZRJFAPSA-N	521.618	1.506	0	40	KDAB	
O[C@H](COc1ccc(-c2nnco2)cc1)CN1CCN(C[C@@H](O)COc2ccc(-c3nnco3)cc2)CC1	26893745	HRTYXXGEDHQWNU-SZPZYZBQSA-N	522.562	1.584	0	40	KDAB	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	70664700	LYAGMCSCYXQWFA-UBFVSLLYSA-N	606.680	1.677	0	40	KDAB	
COc1ccc2c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c(=O)oc2c1OC	97957043	HKIOBLVNVHRRSQ-FQEVSTJZSA-N	585.635	1.396	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	104480269	UMXPPBTYXOSRKT-UHFFFAOYSA-N	556.688	1.546	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	223330164	GZHFRVFHGHISKZ-UHFFFAOYSA-N	541.648	1.546	0	40	KDAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	224380827	QVFIEGIYVIUPIX-UHFFFAOYSA-N	551.687	1.999	0	40	KDAB	
COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@H]5[C@]3(C[C@@]3(O)[C@H]6CN7C[C@H](C)CC[C@@H]7[C@@](C)(O)[C@]6(O)[C@@H](O)C[C@@]53O)O[C@@]24O)cc1OC	248330447	FVECELJHCSPHKY-QSGYLQAWSA-N	673.800	1.356	0	40	KDAB	biogenic
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@@]54C)[C@@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257469608	KYWSCMDFVARMPN-MACXDNEXSA-N	780.993	1.777	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	643564383	IYZBKSDVSLBCBH-JBUDQFAYSA-N	528.581	1.549	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N(C)CC(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)n1	643566194	AGGYRDRXWZJZOY-QUCCMNQESA-N	527.647	1.531	0	40	KDAB	
CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)CC1	20495543	ATXCGLZPOYICHB-UHFFFAOYSA-N	501.491	1.745	0	40	KDAB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	223031369	PLFNVEXVHUHLFW-UHFFFAOYSA-N	523.618	1.921	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224485456	VBSFSFMUXVFVGF-NRFANRHFSA-N	543.639	1.586	0	40	KDAB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226087671	CZWSKBIXANALEL-UHFFFAOYSA-N	509.650	1.896	0	40	KDAB	
O=S(=O)(c1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1	4769282	FYPCHNMCGKVNNI-UHFFFAOYSA-N	512.606	1.186	0	40	KDAB	
O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1	8666423	WBHJSLDBCXZLLZ-SFTDATJTSA-N	537.660	1.952	0	40	KDAB	
CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@@]12C(=O)N(CC(=O)OC)c1ccccc12	9695173	HILFENOBRMEFCI-RUZDIDTESA-N	502.520	1.451	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@@H]2OC	100392476	VSUODASNSRJNCP-NCEAOUNSSA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccc(C)cc2)n1C	101575189	VOEBONRNAWTOGV-HCSYDALLSA-N	564.617	1.451	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	257390716	BVDGQVAUJNUPGW-WXUZKHJFSA-N	646.642	1.058	0	40	KDAB	biogenic
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3C[C@]4(C)[C@@H](C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	257451612	JBGYSAVRIDZNKA-JBULZWEMSA-N	801.024	1.359	0	40	KDAB	endogenous,in-man
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccnc4)C[C@H]3C(=O)NC[C@H]1O2	514287365	IWZCBTOHEVZSGY-CFJXPYFLSA-N	564.687	1.931	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)c2ccccc2OC)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551241	QQCHGPWVZFZZLQ-WRJJBPASSA-N	524.655	1.574	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643565766	NBEFAUDKUZNLGJ-ZEQRLZLVSA-N	554.644	1.761	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	2037916282	OYYOZIGIOKMYEO-SVBPBHIXSA-N	604.660	1.663	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6547103	SNKNCJQLEFNAOM-NRFANRHFSA-N	525.587	1.896	0	40	KDAB	
COCN1c2ccccc2S[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	8431482	VKCGIKJXWXVQAJ-SAKKWRDPSA-N	541.575	1.819	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O	70664666	XPPVPEBAMOGLNL-PCCBWWKXSA-N	636.699	1.455	0	40	KDAB	biogenic
CC(=O)OC[C@H]1O[C@@H](NC(=O)Nc2ccccc2I)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	101575365	TWTMNPAFAURLLC-UJMXGEILSA-N	592.339	1.496	0	40	KDAB	
COc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224487459	GCPBZXPRMIJXIJ-UHFFFAOYSA-N	555.675	1.458	0	40	KDAB	
C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224495484	CRPAPAVLOZXCDX-GOSISDBHSA-N	541.648	1.066	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	248162657	MQTOSJVFKKJCRP-AOOURPDWSA-N	748.996	1.901	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H]5[C@H](O[C@]6(CC[C@@H](C)CN6)[C@@H]5C)C(=O)[C@H]43)C2)[C@@H](O)[C@H](O)[C@H]1O	253532280	RBCXKPQLDXSOQW-INSGHLLESA-N	737.928	1.222	0	40	KDAB	biogenic,in-vitro
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N=c2cc[nH]cc2)ccc1OC(C)=O	409383194	SHTQLGLPIRJAKC-JWQCQUIFSA-N	610.528	1.846	0	40	KDAB	
CO[C@H]1CCCN(C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)c2ccccc2-c2ccccc2)C(C)C)[C@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)O	585295420	YVORHMYGQFPKQT-IEOQJQNDSA-N	695.770	1.299	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567644	NJZALKNFIWBRPI-VMPREFPWSA-N	641.725	1.898	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C(=O)OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1	1787807	SKTFMJGARNAKHS-GRTQGXPSSA-N	578.599	1.123	0	40	KDAB	
COCC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)OC	4277825	PFZZEMZUBAVIGY-FCHUYYIVSA-N	512.563	1.287	0	40	KDAB	biogenic,in-vitro
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59838121	QSPGMDZVDFJXKZ-UHFFFAOYSA-N	532.040	1.306	0	40	KDAB	
CCN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	95571094	FKXLTGSGUFIXAK-UHFFFAOYSA-N	548.383	1.800	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	95628210	MQTOSJVFKKJCRP-BFOYWQSASA-N	748.996	1.901	0	40	KDAB	world
COc1ccc(C(=O)N2C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(C(F)(F)F)cc3)NC(=O)C[C@@H]3O[C@H](C2)[C@@H](O)[C@H]3O)cc1	97976675	VNGAPQAYHQCXHF-FUUVIJHQSA-N	676.689	1.036	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	224250606	OYEAUSWPXLTVMH-HXUWFJFHSA-N	516.041	1.939	0	40	KDAB	
C[C@@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C	253529666	LDPUCURQYIRVQU-LAXVMLPHSA-N	670.881	1.875	0	40	KDAB	biogenic,in-vitro
O=C1C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	643567247	AOBQRQYVUQPCHM-VMPREFPWSA-N	629.714	1.265	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569218	NXOXGXXNHZPSQN-WNJJXGMVSA-N	593.725	1.705	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2059879	SGTRBJLXRAMJFV-AGGMBTAESA-N	503.536	1.680	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2[nH]1	4715038	BLEBKZBLEMTVLI-DFWAIWNTSA-N	550.517	1.457	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(F)cc2)cc1OC	22829725	RYOBTJBRJDUEGE-UHFFFAOYSA-N	508.616	1.792	0	40	KDAB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(OC(C)=O)C[C@H](OC(C)=O)C(OC(C)=O)[C@H](OC(C)=O)C1	70665359	HQJMMMNUCZFHGX-MNEXFEESSA-N	560.556	1.259	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	85902261	ULGZDMOVFRHVEP-UMCXFAKASA-N	733.937	1.786	0	40	KDAB	biogenic
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1OC	224253171	STFLVUDDVZNUCB-INIZCTEOSA-N	529.637	1.304	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224451323	FNQOMLYPFVKKMH-QGZVFWFLSA-N	546.067	1.711	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	224472333	NEULAPNTNVKKQY-UHFFFAOYSA-N	569.677	1.584	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5CCN(C(C)=O)CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253409010	ZIXOJXXVUDZLLZ-DXLYGPJMSA-N	609.728	1.249	0	40	KDAB	
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	253533791	URJQSMIFSMHWSP-CGOGTIQHSA-N	572.765	1.484	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568229	RCEJMEBHKPPGJZ-FUCNBRFFSA-N	577.682	1.174	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569217	NXOXGXXNHZPSQN-LITSAYRRSA-N	593.725	1.705	0	40	KDAB	
CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCOCC1	38140453	NMNRDMOQBVKZHB-INIZCTEOSA-N	535.575	1.154	0	40	KDAB	
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O	85591238	DCGNJQAPLOBXDM-ZJZGAYNASA-N	522.602	1.056	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O	85901634	AXZPAGVFIVOODG-BALREELESA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4cc(Br)cn4)[C@H]3SC2)s1	97947894	KFVBXQPEIFIBTM-JHQDUNDWSA-N	545.466	1.897	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876717	HQQMZOBMZCGREA-VNIBXFEXSA-N	580.710	1.931	0	40	KDAB	
CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccc(Cl)cc21	224324224	QHRBISIJXJBSGR-NRFANRHFSA-N	544.051	1.847	0	40	KDAB	
C[C@]1(O)COC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)C[C@@H]1n1ccc(O)nc1=O	257242141	IBGPPLFTLWXAGV-LVXARBLLSA-N	526.590	1.338	0	40	KDAB	
CC(C)(C)OC(=O)N(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	258840243	ZKSDGOCADPXMKW-OBBCHVIHSA-N	632.707	1.822	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCN(C)C1=O	643566010	UAVGAIQROZIUCC-LVXARBLLSA-N	552.628	1.297	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576081	HXBDARISCYAOSP-SEUYAALJSA-N	657.768	1.416	0	40	KDAB	
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	6093254	PSUOQPPIQJRCAB-LLVKDONJSA-N	522.486	1.173	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccco1	6546336	ZNVQQSLWBBWNDZ-AUSIDOKSSA-N	526.550	1.370	0	40	KDAB	
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2=O)cc1	14086356	CQFMOXBQLDZKRU-QHCPKHFHSA-N	504.540	1.134	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4ccccc4OC(=O)[C@@H]2CS3)cc1	16754233	CHKVPCYBFAIFEC-RHSMWYFYSA-N	503.583	1.969	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)CC2	95848797	AQHVYUQJVBQVPK-HLYSLKJXSA-N	505.589	1.477	0	40	KDAB	
CC(C)CC(=O)N1CCCN(C)CCN(C(=O)[C@H]2COCCN(S(=O)(=O)N(C)C)C2)Cc2ccccc21	618017134	GAWFVEMADBOQKS-HSZRJFAPSA-N	537.727	1.485	0	40	KDAB	
Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)N(C)C)cc5)CC4)nc32)c1	38144988	MRHCBNQYVWYKGW-UHFFFAOYSA-N	585.712	1.998	0	40	KDAB	
COc1ccc2c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c(=O)oc2c1C	70705112	AASPQGWRDFXVJC-NRFANRHFSA-N	569.636	1.696	0	40	KDAB	biogenic
CCCCC[C@H](O)[C@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C\C=C/C=C\C=C/C=C(/C)[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1O	100134801	IMQSIXYSKPIGPD-LCNGIVBHSA-N	654.838	1.888	0	40	KDAB	in-vitro
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876715	HQQMZOBMZCGREA-VCYIBEIOSA-N	580.710	1.931	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389325	HRDMCVCODUFPBQ-NAVPPTJWSA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	260892198	WVEMYGRQWPZOAD-QGZVFWFLSA-N	513.638	1.604	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643565672	GTHSSBBVANEYAS-DQEYMECFSA-N	549.672	1.403	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569087	KZWYVBJBSICROB-VXKWHMMOSA-N	515.655	1.111	0	40	KDAB	
COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)C(C)C	1350726978	RTQMMCFXNFLOLD-OWBZZYPYSA-N	892.843	1.493	0	40	KDAB	
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)CC[C@@]3(C)[C@H]12	1857789673	UEBSUYXDXSNJSV-RQJZIFDFSA-N	813.035	1.385	0	40	KDAB	
COC(=O)c1c(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	3322044	SNGMBGWCJJDAHQ-UHFFFAOYSA-N	526.564	1.979	0	40	KDAB	
Cc1ccc2c(c1)S(=O)(=O)NCCOCCOCCNS(=O)(=O)c1cc(C)ccc1OCCOCCO2	4066126	KJRAVODQYKLWMW-UHFFFAOYSA-N	558.675	1.381	0	40	KDAB	
COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5cncn5)cc4)CO[C@H]23)cc(OC)c1	4147815	XMVLDGCYQFYTAO-FNAHDJPLSA-N	551.589	1.757	0	40	KDAB	biogenic,in-vitro
CCC(=O)N1CCN2c3ccc(NC(=O)c4ccccc4)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	9510650	VHUXCUBYNNPRCJ-NRFANRHFSA-N	503.559	1.959	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)c1	10288006	VQWNOJFQLHYZRT-UHFFFAOYSA-N	511.622	1.311	0	40	KDAB	
CCCN(C(=O)COC(=O)c1[nH]c(C)c(C(=O)OC)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079631	UHCZJZGYEAKMTN-UHFFFAOYSA-N	511.535	1.499	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1	66156434	ULZBYDZFBXNFOM-VMPITWQZSA-N	550.586	1.937	0	40	KDAB	
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F	100143308	VFPPDPSKIFZPBS-GOSISDBHSA-N	500.842	1.867	0	40	KDAB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C\CC[C@@]5([C@H](C)O)OCC[C@@]6(O[C@@H]6C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1)[C@H]5O	253401518	NCIFOYWXXVLKQO-QOVZCNDHSA-N	546.613	1.503	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CN2CCC(C(N)=O)CC2)CC(=O)N1	643557259	XMHIMLUMNVNDLJ-OAQYLSRUSA-N	536.073	1.409	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643565765	NBEFAUDKUZNLGJ-BJKOFHAPSA-N	554.644	1.761	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643570980	PHRFEIJOXZQFDJ-IQFVJIFQSA-N	541.693	1.690	0	40	KDAB	
CC(C)N1CCC(CCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643574940	CHQZDNMJFYUIKM-ZDCRTTOTSA-N	728.895	1.879	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21	1534613475	UMSHMBNAGQONTG-NSHGMRRFSA-N	500.543	1.717	0	40	KDAB	
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C	1570006797	DUXHVCKABSGLJH-YKIQOCGCSA-N	512.640	1.418	0	40	KDAB	in-vitro
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000401	DVUHIYFVLVFKRW-IRMNXRQWSA-N	801.024	1.120	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1	71328449	WVWFMFMBOJSFHO-UHFFFAOYSA-N	533.651	1.745	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	85540108	XOEUHCONYHZURQ-HNUBZJOYSA-N	751.927	1.878	0	40	KDAB	in-man
COc1ccc(CCNC(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1OC	101330452	AKWKAYBEQDHSNE-UHFFFAOYSA-N	534.569	1.839	0	40	KDAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCC(=O)O	214690181	GHADBMAFXVAFBE-RIYZIHGNSA-N	562.338	1.658	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O	224443981	SOBDHDNPMWFKGI-GOSISDBHSA-N	511.622	1.057	0	40	KDAB	
C[C@@]1(O)COCC2(CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)C[C@H]1n1cnc2c(N)ncnc21	257328860	XHKBAJNOUIGELJ-IQGLISFBSA-N	554.652	1.375	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565466	GULRAYXUJOOPAO-XUZZJYLKSA-N	515.655	1.159	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582535	ICOZKMUDJZOIJI-RPBOFIJWSA-N	549.672	1.308	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1	13097494	MPIJNXCSWVVJHH-GHTZIAJQSA-N	511.597	1.763	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1	13149373	SOWACVYCBDLRJK-UHFFFAOYSA-N	514.651	1.498	0	40	KDAB	
COCCN1CCc2nc3sc(SCC(=O)N4CCN(c5ccccc5)CC4)nn3c(=O)c2C1	15414364	SJNXBMAEHHPEHV-UHFFFAOYSA-N	500.650	1.596	0	40	KDAB	
NS(=O)(=O)c1ccc(CCN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	18276546	WILUMFIWGGASCW-BBVFFXRHSA-N	505.936	1.331	0	40	KDAB	
COC(=O)[C@H]1O[C@H](O/C(=N/c2ccccc2)C(F)(F)F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	35802921	YIVKGVGMDKWGAE-BQYGMBHSSA-N	505.398	1.989	0	40	KDAB	
C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	38139453	RKEOQMATJWKWBN-ZDUSSCGKSA-N	531.996	1.192	0	40	KDAB	
CC(C)=CC[C@H](O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	253534343	UKJMISFXPQGTPF-VXXLZLOHSA-N	666.849	1.366	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccccc1OC	408861465	AXIBPYLKCBUXRI-YJADQXIJSA-N	518.595	1.997	0	40	KDAB	
CCOc1cc(CNC[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585274443	WWOIGXJPEUHORQ-AREMUKBSSA-N	500.644	1.383	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)N2CCOCC2)CC3=O)CC1	958317757	KOARMEKUKIZNEY-ZEQRLZLVSA-N	553.660	1.045	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1Cl	1652270	MCEHFIXEKNKSRW-GFCCVEGCSA-N	523.337	1.575	0	40	KDAB	
CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	3250727	GOSYWEJGUISXQX-UHFFFAOYSA-N	528.587	1.701	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3360153	JURYAKYXERELLD-UHFFFAOYSA-N	539.593	1.873	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	20032648	PMXMRAKHXRNKNK-UHFFFAOYSA-N	511.622	1.091	0	40	KDAB	
Cc1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](COC(=O)C4=CC[C@H](C(C)(C)O)CC4)[C@@H](O)[C@H](O)[C@H]3O)cc2o1	28882432	OUBDJJFZUQGQLU-ZHFYLPRNSA-N	520.531	1.034	0	40	KDAB	biogenic,in-vitro
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C	32666511	ILSQSIDPVMOEBC-UHFFFAOYSA-N	511.535	1.499	0	40	KDAB	
CN1C[C@@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	57681180	XCGSFFUVFURLIX-JNMFHSRASA-N	581.673	1.991	0	40	KDAB	in-vitro
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)[C@H](C)O	70700198	UFUCBUIDUQDHOE-OBAATPRFSA-N	549.584	1.046	0	40	KDAB	biogenic
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2CCSc1nnnn1-c1ccccc1	96019704	SJTVCCRRHBIBGI-UHFFFAOYSA-N	530.618	1.518	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=O)Nc2ccccc2I)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575358	TWTMNPAFAURLLC-JAZQRGJZSA-N	592.339	1.496	0	40	KDAB	
COCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	104103577	OTNLSVAPMFLONJ-UHFFFAOYSA-N	538.649	1.805	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2ccccc12	224443748	JOURXYQVYMLJKJ-UHFFFAOYSA-N	547.655	1.822	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224455853	QGMZRIZOYGVYCN-AREMUKBSSA-N	587.676	1.859	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1	225880663	ITHBZBCBZOAYFF-UHFFFAOYSA-N	539.588	1.179	0	40	KDAB	
[N-]=[N+]=NCCCCCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	230491944	NYAZUAAGKILBHO-WFXMLNOXSA-N	513.665	1.849	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1	575625988	PHDZNMWTZQPAEW-QLGMEDQRSA-N	629.747	1.677	0	40	KDAB	biogenic
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1O	605858016	AYWNHWGQTMCQIV-ICUUDYGFSA-N	827.018	1.295	0	40	KDAB	
CN(C)CCCNC(=O)[C@@H]1CC(=O)NC(C)(C)C(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643568251	UVTNSEDQQABFET-GGAORHGYSA-N	537.661	1.258	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643573780	WOTKHFNQEIVXOE-AAIIXDAISA-N	676.815	1.793	0	40	KDAB	
COc1ccc(/C=C/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCOCC1	2652353	WQOYOYOJBGWOKD-VQHVLOKHSA-N	515.544	1.258	0	40	KDAB	
CCC(=O)N1CCN2c3ccc(NC(=O)c4ccccc4)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	9510651	VHUXCUBYNNPRCJ-OAQYLSRUSA-N	503.559	1.959	0	40	KDAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CSC)C(=O)O)CC1	12866198	JJAZQUDNSMPXRW-UXPWSPDFSA-N	513.682	1.859	0	40	KDAB	biogenic
COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O	16102169	UAMJAWAEYVFBSW-YJSIEXFISA-N	527.618	1.889	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	85902212	IEPCYJLTAGEWNI-LCJUQTKBSA-N	602.589	1.642	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1	97948363	WOZLUSODATVCBH-SJKOYZFVSA-N	567.340	1.844	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2)cc1	256055887	XUXVVZXMSBPDTE-MOSHPQCFSA-N	534.579	1.426	0	40	KDAB	
O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCn2nnc3ccccc32)CCO1)N1CCOCC1	585283032	AUFUQYXSPUOZDB-AREMUKBSSA-N	511.554	1.886	0	40	KDAB	
CCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)[C@H]2O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1O	604377651	YUIAZLFHCZYXSQ-JQUFCPMASA-N	854.981	1.139	0	40	KDAB	biogenic,in-vitro
O=C1C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	643567811	XHZAQIJXDKFRSM-DQEYMECFSA-N	595.052	1.965	0	40	KDAB	
O=C(NCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1)N[C@H](Cc1ccccc1)C(=O)O	8791511	YHOKQRGLHNWHOM-YADHBBJMSA-N	511.579	1.005	0	40	KDAB	biogenic
O=C(CN(Cc1ccccc1)C(=O)NC(=O)CN1CCC(C(=O)O)CC1)NC(=O)NCc1ccccc1	62566584	MWQXLFVKPKOALM-UHFFFAOYSA-N	509.563	1.547	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	62725245	AEDVJDMITHPZNB-OAVQTBGQSA-N	525.532	1.506	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95810521	LUIPOVCSQJTWHA-RWJQBGPGSA-N	749.936	1.798	0	40	KDAB	biogenic
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCCO)cc1	222950079	ZHDXBAUPTSDOEI-FQEVSTJZSA-N	517.648	1.938	0	40	KDAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1OC	224483916	MNHBAZGJEZDOKK-SFHVURJKSA-N	571.674	1.074	0	40	KDAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)c3cccc(OCCNC(=O)OC(C)(C)C)c3)[C@@H](O)[C@H]2O)c(O)nc1=O	257226710	FLURIHMZXAOSFO-WTGUMLROSA-N	518.567	1.016	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1S(=O)(=O)c1ccccc1	4277875	PKJLZUWKFLDJIR-GOTSBHOMSA-N	527.647	1.537	0	40	KDAB	biogenic,in-vitro
COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1S(=O)(=O)N1CCOCC1	12540057	OHKSIVYUFRYGNI-UHFFFAOYSA-N	514.459	1.833	0	40	KDAB	
O=C(N[C@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccc(F)cc1)c1ccco1	36625542	WXDYYPDGVBVMJE-FQEVSTJZSA-N	505.549	1.995	0	40	KDAB	
COCCN(C(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140447	YNBGHNLGLZTDHN-ZRDIBKRKSA-N	538.557	1.420	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](OC(=O)c2ccc3ccccc3c2O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	62725272	YRCXXSRBHWKKJC-FVZBVDOKSA-N	517.487	1.358	0	40	KDAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C[C@@H](C)O1	195529327	QCFJKPINGGVYEU-WHEFHEQHSA-N	594.643	1.187	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O	247913438	VJJPUSNTGOMMGY-QMLCIONDSA-N	588.562	1.339	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)C[C@@]2(C)O)n(C)c1=O	257321243	WAUFIVQRYXUQOD-MZNJEOGPSA-N	513.986	1.131	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCNC1=O	643564616	VUHVVUCKAACAMP-JTJYXVOQSA-N	508.619	1.964	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCN(C)C1=O	643565705	IBMKMCDZBPMDBZ-RZUKHUMYSA-N	502.612	1.193	0	40	KDAB	
COc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643579294	WXNQEWGAACIELI-BJKOFHAPSA-N	554.644	1.761	0	40	KDAB	
CCn1nc(C)c(CCC(=O)N2CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@H](CC(C)C)N(C(=O)COC)CC2)c1C	643586908	KDCPKJKDNQHNKP-NSIYGSDQSA-N	568.756	1.718	0	40	KDAB	
CCOC(=O)[C@@H]1C(c2ccccc2)[C@@H](C(=O)OCC)S(=O)(=O)C(CCN(CC)CC)S1(=O)=O	12366798	SMRFNRKONBWLTL-GUMHCPJTSA-N	503.639	1.535	0	40	KDAB	
Cc1cc(Cl)c2c(c1)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15959620	UBCMHGNPDGNOIC-SDMYACPNSA-N	510.934	1.563	0	40	KDAB	biogenic
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032938	CJYZDLICSKSZMO-UHFFFAOYSA-N	509.650	1.643	0	40	KDAB	
CCCn1c(N)c(N(CCOC)C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c(=O)[nH]c1=O	23078067	CMCKVNNBCZHSKB-UHFFFAOYSA-N	515.592	1.700	0	40	KDAB	
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C1	67337152	RDXGNATZOJSSKF-KRWDZBQOSA-N	524.043	2.000	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	100023533	VJJPUSNTGOMMGY-CHPBSCPTSA-N	588.562	1.339	0	40	KDAB	in-vitro
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	102804379	LYAGMCSCYXQWFA-CCDWMCETSA-N	606.680	1.677	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1	103057879	YGDNRIMDWKXUEZ-OAQYLSRUSA-N	531.606	1.981	0	40	KDAB	
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	103085598	HRBTVFUDYYHXNF-UHFFFAOYSA-N	531.612	1.438	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	225470903	ZLISCHHYSZPQOB-UHFFFAOYSA-N	523.633	1.756	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	252463748	YURJSTAIMNSZAE-BJPPEKCTSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643565618	KFSVBMIXXCZBJL-NZJKTDFXSA-N	577.682	1.212	0	40	KDAB	
Cc1nn(CCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c(C)c1C	643574813	SCCKUJLAXCELAR-ZFQPXVTNSA-N	673.815	1.832	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN[C@@H](C)c2cc(O)n3nc(C)cc3n2)CCCCOC[C@@H](O)[C@H]1O	643586625	AXQVNLPFWYCXQO-XUSCFTMZSA-N	592.738	1.033	0	40	KDAB	
COc1cc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc(OC)c1OC	8694685	CHDVGPSQEURBCJ-UHFFFAOYSA-N	518.573	1.629	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O	98001692	GPOCHLQREYUIEA-UFGBVDADSA-N	637.691	1.199	0	40	KDAB	
CC(=O)O[C@H]1C(=O)OC[C@@]23CC[C@@]4(C)O[C@@H]4[C@@H]2O[C@@H]2C[C@@H](OC(=O)/C=C/C=C/C(=O)OCC[C@H]1C)[C@]3(C)[C@@]21CO1	100623176	JDFKYDYICWYZMF-FZEVOFGHSA-N	560.596	1.953	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	253389082	IAGSHEHQJJTLLR-BEFGVISVSA-N	883.082	1.984	0	40	KDAB	biogenic,in-vitro
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C(C)C)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582676	SLPAHOSRUIHTJV-UIOOFZCWSA-N	563.699	1.696	0	40	KDAB	
CNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NC)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1	1662466	BCLOBYCBCWICIF-UHFFFAOYSA-N	566.622	1.610	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)c1	4235828	UBTXBNAMYFXXHI-RGMHLJPOSA-N	506.533	1.968	0	40	KDAB	biogenic,in-vitro
Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12	4534275	JLKJMNJZJBEYLQ-UBFVSLLYSA-N	665.748	1.401	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c(C)c(C)c(=O)oc2c1	12864601	KXINCAOQEWAXDE-PPHZAIPVSA-N	513.591	1.483	0	40	KDAB	biogenic
CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1OC(C)=O	22066504	SXOZSDJHGMAEGZ-WKSZPJAWSA-N	516.455	1.925	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCOCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1	150606545	IMSCNTQJQHTMSG-HNRBIFIRSA-N	712.888	1.074	0	40	KDAB	
COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CN(C)S(C)(=O)=O)cc1OC	222894632	CSKZWMLKKRCZSD-QGZVFWFLSA-N	509.600	1.810	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F	224367130	RBMVHYIHEPHPKM-UHFFFAOYSA-N	513.613	1.962	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O	252394535	POXCHDLYCJFKBU-BTZPKTIDSA-N	577.679	1.039	0	40	KDAB	
C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	253603718	KRQDMAXNTWLTDZ-WIIOOEKESA-N	721.929	1.963	0	40	KDAB	endogenous,in-man
CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O	257312562	UONLDYFMKKDNMD-HIGHGGLBSA-N	549.629	1.035	0	40	KDAB	
C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C	584567093	KRQDMAXNTWLTDZ-QEFAGQGPSA-N	721.929	1.963	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643564988	AQCVWOZPIPEQPX-SSPYTLHUSA-N	537.661	1.210	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643580688	LYYPLYWKVBSWHI-CPCREDONSA-N	700.837	1.692	0	40	KDAB	
CC(=O)N1CCN2c3ccc(NC(=O)Nc4ccccc4)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	9215970	KQRPKCBSIUQEHF-NRFANRHFSA-N	504.547	1.961	0	40	KDAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)c2C(N)=O)C1	11883250	JEVCEFISFDEHKQ-MRXNPFEDSA-N	520.633	1.803	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@@H](C(=O)O[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2c2cccs2)cc1	13108058	LJYLXPQLTRSJMR-NBQZKYEYSA-N	510.572	1.945	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(Cl)c1	19818627	YAJHLSPSJKRLQA-OAQYLSRUSA-N	528.009	1.542	0	40	KDAB	
CC(C)[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1	82175430	SKZOFFRZXFEXIO-FJJKMLSJSA-N	688.823	1.148	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	210736987	ZNEFJJZUQOVRMA-XJAMQDAASA-N	522.535	1.990	0	40	KDAB	
CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@H]1CC[C@@](O)(Cn2cnc3c(N)ncnc32)[C@H](O)C1	257332535	XXSAHTBQJXEHSJ-PQNFPLSNSA-N	513.002	1.684	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2COC3(CCN(C(=O)c4ccc5nc(C(F)(F)F)[nH]c5c4)CC3)C[C@@]2(C)O)n(C)c1=O	257338421	YXISHJULHFEEAL-MZNJEOGPSA-N	575.548	1.716	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](C)N[C@]5(C(=O)N(C)c6ccccc65)[C@@H]4C3=O)C(=O)[C@H]12	585139069	NGQVTJJPTHNQTI-VHQZXSDASA-N	652.752	1.476	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1	2128808	IMXIPLSGEPZDIJ-QTEQDKRBSA-N	535.626	1.874	0	40	KDAB	biogenic
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1	2799803	COZONACNRCJSRL-LTVGTUHNSA-N	574.011	1.649	0	40	KDAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	4177602	ICWOBLRWDHMGJE-FOJUDVCRSA-N	571.675	1.462	0	40	KDAB	
O=C(COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2	16035664	AOXJUGMWNGZLFX-TYUXRXASSA-N	515.426	1.717	0	40	KDAB	
CCCN(CCC)C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)CN(CCC)CCC)C(=O)C2(C)C)C(C)(C)C1=O	17434016	CAYUBHBMCOYMMJ-DHIUTWEWSA-N	582.787	1.995	0	40	KDAB	
COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1S(=O)(=O)N1CCOCC1	20492561	BNCZYOWPIOBOIM-UHFFFAOYSA-N	503.986	1.993	0	40	KDAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1	85876277	DCAIZWUCMICCSY-RTWAWAEBSA-N	509.651	1.169	0	40	KDAB	biogenic
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1	224406605	CLIHHQPUUJJSGI-UHFFFAOYSA-N	550.703	1.606	0	40	KDAB	
Cc1cn([C@@H]2C[C@@H](CNC(=O)c3ccc(OCCCNC(=O)OC(C)(C)C)cc3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257272028	NAUKFFITHJHWLI-OYNPSCLESA-N	532.594	1.264	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC1=O	643567385	FBBXFSRDFSXWPZ-XZOQPEGZSA-N	523.634	1.749	0	40	KDAB	
Cc1nnc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc2)nn1	953109486	JDJSAIBRQJQXLA-UHFFFAOYSA-N	612.677	1.228	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)C4=CC=C5[C@@H]6CC(C)(C)CC[C@]6(CO)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3[C@@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	2061000991	UFEGAVYKHITZAC-MOEUMFEESA-N	780.993	1.681	0	40	KDAB	
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	11025527	CPJHMGWOCTVJJI-HXUWFJFHSA-N	535.420	1.753	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2cc(S(N)(=O)=O)ccc21	100877418	ADBHDUNULRJUDR-GYHWCHFESA-N	554.672	1.685	0	40	KDAB	
C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2	110518935	FYSGSJYHTVGYLT-AQCRLBJHSA-N	506.669	1.897	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC[C@]2(C)O)n(C)c1=O	257282563	OUGRIYJOBKQAIW-QKKBWIMNSA-N	505.457	1.167	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CO)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582763	WFLYWCRURVNKBP-VXKWHMMOSA-N	516.639	1.178	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3cccc(Cl)c3)C[C@@H]1CO2	1772594624	QVVUOADWABEHJZ-QGZVFWFLSA-N	502.984	1.842	0	40	KDAB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	8686398	UXZFYDUPSKTTTC-UHFFFAOYSA-N	516.967	1.835	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc(C(F)(F)F)c1	19818660	KQRUTHBNQZDLEX-GOSISDBHSA-N	521.496	1.412	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN2CCOCCOCCN(CCNS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	33353936	LVWWVWJYOFTVQB-UHFFFAOYSA-N	612.815	1.228	0	40	KDAB	
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)co1)CC2	44922096	QCYKSNHQJMHYBS-GOSISDBHSA-N	506.577	1.240	0	40	KDAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222931016	TXDFZVHYUKDHCL-LJQANCHMSA-N	519.620	1.648	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1	224376611	MAWNTCDVPRWZSU-UHFFFAOYSA-N	524.665	1.669	0	40	KDAB	
CO[C@H]1CCCN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2OCc2ccccc2)[C@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)O	643551710	DXRXSVVFSDLFCI-OLAIZJASSA-N	753.850	1.530	0	40	KDAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CCCS(=O)(=O)c3ccccc3)CC2)CN1	643565301	BTJNRVXMIVGAHS-BJKOFHAPSA-N	544.670	1.713	0	40	KDAB	
COc1cc2nc(C)n(CCNC(=O)CC3(c4oc(C)cc(=O)c4O)CCOCC3)c(=O)c2cc1OC	1547139599	VGBMAGCCDVXNAJ-UHFFFAOYSA-N	513.547	1.944	0	40	KDAB	biogenic
COc1ccccc1CN1CCC2(CCOc3cc(-c4ncnn4C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891112	WRCLZESSBOBZKG-PKTZIBPZSA-N	596.710	1.548	0	40	KDAB	
CCn1c(N2CCN(CC(=O)Nc3c(C(=O)OC)[nH]c4ccc(Br)cc34)CC2)nc2c1c(=O)[nH]c(=O)n2C	2613046	JFDPNTRTVLNNJR-UHFFFAOYSA-N	587.435	1.234	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1OC	3217405	JMIXCQGGAPFSDZ-UHFFFAOYSA-N	516.576	1.775	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1	3663644	OSUDNGSKPJLELQ-UHFFFAOYSA-N	534.572	1.016	0	40	KDAB	
COCCN(C(=O)COC(=O)CCCOc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12867000	HFCFOGMNPIQXOA-UHFFFAOYSA-N	510.547	1.549	0	40	KDAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1	14112903	MQXAAVCMZAWHPT-UHFFFAOYSA-N	518.635	1.333	0	40	KDAB	
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	20032746	WBKXWRONQGUOAU-UHFFFAOYSA-N	525.649	1.398	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)O	76945593	QNPQJKICJQEMBY-RSVHIVLPSA-N	671.877	1.077	0	40	KDAB	in-vitro
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	97971719	WCMJLEULXWUCRF-PFNGLWTQSA-N	796.992	1.854	0	40	KDAB	biogenic,in-vitro
CCOC(=O)/C=c1\s/c(=C/c2ccc3c(c2)OCCO3)c(=O)n1CC(=O)NCCc1ccc(F)cc1	97993890	VPYQORHMZIRDIY-WOAGENAHSA-N	512.559	1.351	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O	103128685	VDAFFBQGFZMKHZ-VWLOTQADSA-N	562.601	1.139	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@@H]24	108277232	DTTPWCNKTMQMTE-OYYSRQAOSA-N	507.624	1.350	0	40	KDAB	biogenic
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	248045830	VJJPUSNTGOMMGY-KGKMNUIUSA-N	588.562	1.339	0	40	KDAB	in-vitro
CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	575425160	YPEQZNNVYWQOPD-VSGBNLITSA-N	664.784	1.113	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC1=O	643567384	FBBXFSRDFSXWPZ-GOTSBHOMSA-N	523.634	1.749	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(C)(C)C(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643568053	JURUELISDICXRK-GPXNEJASSA-N	550.656	1.827	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCN(C)C1=O	643569268	REKSGEQNWOALMO-GOTSBHOMSA-N	523.634	1.701	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	1569985896	XCLJRCAJSCMIND-MUJIMXQVSA-N	734.969	1.544	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	2697394	QVBZGGOZXMIRMA-JPFXZVHCSA-N	507.568	1.671	0	40	KDAB	
CC[C@H](C)[C@@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	6821418	BBLHYOJGXPTSMN-VETGKBFTSA-N	568.671	1.862	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O	12882544	STMKRBLWVDQMGF-FKBYEOEOSA-N	508.575	1.840	0	40	KDAB	biogenic
CCN1C[C@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC	42834094	VSUODASNSRJNCP-FPKFFUFFSA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)C1	71772616	VVEIQHRXBJJYGV-ROUUACIJSA-N	504.609	1.761	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O	102805048	PHWAJZBFJSWBIQ-PWRODBHTSA-N	636.699	1.455	0	40	KDAB	biogenic
O=S1(=O)C[C@@H](O)[C@@H](N(c2ccc(NS(=O)(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)C1	575426558	VRORDCJPERPHEP-FCHUYYIVSA-N	522.626	1.841	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6546767	VDRUZGIANXQKRS-HXUWFJFHSA-N	527.559	1.606	0	40	KDAB	
O=C(N[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(F)cc1)c1cccs1	9764127	GTCOUBFABJWYNX-FQEVSTJZSA-N	505.549	1.995	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	12851070	AXSDKFRSKVJIQA-UHFFFAOYSA-N	525.605	1.062	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16321724	BJNLCTXPPRPFFK-LJDSDSDDSA-N	517.940	1.676	0	40	KDAB	
CCC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	18117678	CRLPJMFLPBWYCX-OAQYLSRUSA-N	505.531	1.363	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O	32957700	LADWAATYJWUWMC-OWJWWREXSA-N	506.604	1.035	0	40	KDAB	
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	85893671	BUEGNIXTBWAGCM-MRLUPLGUSA-N	778.905	1.421	0	40	KDAB	biogenic
COc1ccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1	102719575	XICXMZPOPYVHPT-JKRLWXMKSA-N	549.646	1.673	0	40	KDAB	
O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	103138333	RGNWBUUSPLBRLQ-UHFFFAOYSA-N	526.600	1.861	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C	226057179	SHGARNBUJOKKBW-UHFFFAOYSA-N	509.650	1.768	0	40	KDAB	
CCOc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	256055381	DXISEVNTESKBIP-HMAPJEAMSA-N	578.632	1.824	0	40	KDAB	
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N1C	643571382	JRGCBCUDLYJSPU-UEQJIGKFSA-N	628.815	1.688	0	40	KDAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@@H]1O	1529040324	AWJJLYZBWRIBCZ-ZPDADZDASA-N	715.398	1.467	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6546756	HIUOROGRFVOXHG-OAQYLSRUSA-N	555.569	1.368	0	40	KDAB	
O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	12601294	QIMVVCPIBMADBE-UHFFFAOYSA-N	505.936	1.998	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(SC)cc2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2	16045033	HZLQMCMNHXDNTO-JCGHQQRISA-N	512.609	1.849	0	40	KDAB	
Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	19820999	NRLBAHPXXPFYBV-QHCPKHFHSA-N	521.618	1.506	0	40	KDAB	
CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	39318076	LHJIUEGFICMIOO-VWNXMTODSA-N	508.560	1.389	0	40	KDAB	
COc1ccc(-c2cc3cc(CCCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c3o2)cc1OC	77293351	NDBXVWJEZUKCIS-HROMDODWSA-N	504.532	1.875	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)cc1	257329443	XKAKBIWCEQMOBT-KVPLUYHFSA-N	527.582	1.167	0	40	KDAB	
O=S1(=O)CC[C@H](N(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1	575422389	BPPJQDCMIOJAQP-ROUUACIJSA-N	617.576	1.964	0	40	KDAB	
Cc1ccc(S(=O)(=O)CCC(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)cc1C	643565400	DVULOLQFXCJAGV-LOSJGSFVSA-N	558.697	1.939	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CC(=O)NC2(CCCCC2)C(=O)N[C@H](C(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643568560	VVWFRAXTDKWGCU-JYFHCDHNSA-N	600.761	1.102	0	40	KDAB	
O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1	827993	BQAAKMXRAKNJDO-QZTJIDSGSA-N	516.506	1.758	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O	3304770	VABXUBSSQHAYLQ-UHFFFAOYSA-N	502.618	1.895	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2Cc2ccccc2)c1	3413026	VMBQCNOWJYARLX-UHFFFAOYSA-N	597.723	1.979	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	4018337	JNLHZQHCEMLHEB-ZEQRLZLVSA-N	624.782	1.041	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1	12521085	JHTZWSJRHVXPBF-UHFFFAOYSA-N	501.546	1.234	0	40	KDAB	
COC(=O)CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1	13000208	DAAUUYXIXBJHAL-IBGZPJMESA-N	513.569	1.459	0	40	KDAB	
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C=C/c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)nc2c1	32666657	IDXAASPAWYVIQA-GJBLVYBDSA-N	520.951	1.984	0	40	KDAB	
COc1cc(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc(OC)c1	62728288	RUEDSACJBJESKE-UHFFFAOYSA-N	523.502	1.872	0	40	KDAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCOCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253403062	PHIVGERPHYDLCR-JGDRUYDSSA-N	584.714	1.350	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCOCC1	408693495	XLINBUKJCPNCAR-UHFFFAOYSA-N	503.577	1.403	0	40	KDAB	
COCCN(C)CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c2ccccc2F)C[C@H]1CC(C)C	643551746	KEGDPRCHVZFSNO-WKZNCHQYSA-N	569.715	1.637	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643565899	RNGASYFFMAMARK-SFTDATJTSA-N	503.644	1.015	0	40	KDAB	
CCCNC(=O)N1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889071	GDSNBBJMBGNIRB-YADHBBJMSA-N	557.673	1.725	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1OC	989091	KDIAUGYLPJSCSB-GRTQGXPSSA-N	522.579	1.567	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(Br)cc1	9974864	QBFVABHSGIIDPA-MDMHHNQBSA-N	502.314	1.484	0	40	KDAB	
CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)s1	102964736	GBCYQIDUUDCSRO-WOFUFUJRSA-N	502.614	1.942	0	40	KDAB	
COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	214668925	WLAYHDYJRWEZAA-OQLLNIDSSA-N	576.365	1.747	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1OC	224366887	YIAVDROGPGRJFH-UHFFFAOYSA-N	555.675	1.840	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643567230	VSHZLVUYUSKVGV-NHTMILBNSA-N	535.645	1.843	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)NC(=O)c2ccccc2OCCCNC1=O	643567716	RPWDMSAEKMICIP-FCHUYYIVSA-N	515.655	1.159	0	40	KDAB	
Cc1cccc(OC[C@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)c1	2408629	UPNPBXQPNPSPDZ-UYAOXDASSA-N	507.547	1.290	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1	6547067	MZOHMRYOLVRXNQ-NRFANRHFSA-N	557.585	1.614	0	40	KDAB	
COc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1	9600211	PIUCLCDJPFTOLG-SFHVURJKSA-N	512.382	1.237	0	40	KDAB	
COc1ccc([C@@H](c2c(O)n3c(nc2=O)SCC3)c2c(O)nc3n(c2=O)CCS3)c(OC)c1OC	100134012	CWGREWVYIBMXMM-GFCCVEGCSA-N	518.573	1.629	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cccnc2)c2sc(=O)[nH]c2S[C@@H]31)N1CCOCC1	100971818	XDIYADHIPATDPF-PBIFMTAESA-N	512.613	1.164	0	40	KDAB	
CC/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1csc(CC(=O)OC(C)(C)C)n1	214696090	ZDMFCKWBKQNBMG-DXFGVINWSA-N	552.631	1.655	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1F	224422133	RPAUITBOIINOKS-UHFFFAOYSA-N	527.640	1.957	0	40	KDAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1I	409047054	MJTIIAXBXGLPTK-RUDMXATFSA-N	528.040	1.628	0	40	KDAB	
COCCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3412702	MLDZTPBCNYHWCR-UHFFFAOYSA-N	535.630	1.887	0	40	KDAB	
CCOc1ccc(N(CC(=O)NCCCNC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)S(C)(=O)=O)cc1	6600908	MGURCZQUBWSUED-UHFFFAOYSA-N	584.717	1.339	0	40	KDAB	
COCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13001879	SGCDUCKCQZMYIZ-UHFFFAOYSA-N	511.604	1.827	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(O)cc2)CC1	13555039	HCYXLTSRTYEUSK-XMMPIXPASA-N	521.578	1.795	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)CC2)cc1C	15934913	VGOUMMGPKIWPAI-NRFANRHFSA-N	528.693	1.919	0	40	KDAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	17466058	RQJKSTXMPJXFRY-UHFFFAOYSA-N	588.060	1.647	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1	22609798	ALCUWCMTXBEAEJ-JOCHJYFZSA-N	530.025	1.835	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)CC2)cc1	103012338	GPYJTZCQPNQHAP-UHFFFAOYSA-N	592.740	1.892	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)CN[C@H](C)[C@@H](O)[C@@]1(C)O	245204828	HRKNNHYKWGYTEN-WVFNEKLBSA-N	734.969	1.559	0	40	KDAB	
C[C@]1(O)COC2(CCN(C(=O)c3cccc(OCCCN)c3)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21	257303169	SGASQLZXDQXFLF-UUOWRZLLSA-N	510.599	1.106	0	40	KDAB	
COc1cccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	260890930	VEXUABMTZYFBAJ-GOSISDBHSA-N	525.649	1.829	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCCNC1=O	643566621	VLVAXXBJAIFSMF-OFVILXPXSA-N	549.672	1.881	0	40	KDAB	
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)O	49942551	ZXEULDJSILFOED-VHFCWCHLSA-N	517.575	1.522	0	40	KDAB	
C[C@@H]1CCOC(=O)/C=C\C=C/C(=O)O[C@@H]2C[C@H]3O[C@H]4[C@H]5O[C@]5(C)CC[C@@]4(COC(=O)[C@@H]1O)[C@@]2(C)[C@@]31CO1	100623153	CLNDGDZYSDRNSO-PZVVYQTHSA-N	518.559	1.382	0	40	KDAB	
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC4)cn1c23	103021632	USTFPYKRTMFVMV-IBGZPJMESA-N	569.659	1.993	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2	253399945	KDQXOVVRRYDPCG-CFJXPYFLSA-N	556.704	1.971	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc(Br)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	254620580	SSPAAUHWLHOCSS-OMZCGLGVSA-N	561.407	1.819	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2C[C@H](O)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)c1	257340933	ZIENWESQCYAKNO-PIKOESSRSA-N	527.582	1.167	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@H]2[C@@H](C)C[C@@H]3OC(=O)[C@H](CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)[C@@H]3[C@@H](O)[C@@]12C	504390733	XNZOOKULEFZSKF-GMUVMYKRSA-N	556.656	1.716	0	40	KDAB	biogenic
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	605858091	KXHCYYSIAXMSPA-GLXCTTAHSA-N	869.055	1.866	0	40	KDAB	
CC(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)NC3(CCCCC3)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643578773	QDOQXRLLSWSHCM-LOSJGSFVSA-N	583.730	1.998	0	40	KDAB	
NC(=O)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1	2655516	IRHAINQLBGYDFO-UHFFFAOYSA-N	516.359	1.909	0	40	KDAB	
Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941107	QSTUYBMOKNDQGN-OAQYLSRUSA-N	514.652	1.707	0	40	KDAB	
COc1cc(OC)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)cc1OC	72139874	IFHROFHGCLNMAG-UHFFFAOYSA-N	534.635	1.737	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)S(C)(=O)=O	223117523	HXQSNUAYTPXNSE-DEOSSOPVSA-N	551.109	1.620	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	223332165	YGHRUBUNPFWWAN-UHFFFAOYSA-N	583.685	1.317	0	40	KDAB	
COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc5c(c4)OCO5)CO[C@H]23)c1	4147939	XTWBSDPYRNORHO-XAMWDVODSA-N	510.532	1.549	0	40	KDAB	biogenic,in-vitro
COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)N(C(=O)CSC)C2)cc1	4200878	HVMAOTQTXQAVCY-NMNUPHIUSA-N	552.657	1.843	0	40	KDAB	biogenic,in-vitro
CCOC(=O)[C@H]1C(c2ccccc2)[C@H](C(=O)OCC)S(=O)(=O)C(CCN(CC)CC)S1(=O)=O	5984043	SMRFNRKONBWLTL-NTFDOXNWSA-N	503.639	1.535	0	40	KDAB	
CCOC(=O)CC[C@@H](NC(=O)CCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	6546162	MAOXMQLAZLLHCM-QZTJIDSGSA-N	516.588	1.329	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=O)Nc2ccccc2I)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	101575368	TWTMNPAFAURLLC-UHZRXMQZSA-N	592.339	1.496	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CCC(=O)O)ccc12	150340562	HOKKGJXGOTWVKM-ZYEMSUIVSA-N	719.748	1.478	0	40	KDAB	in-vitro
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1	223256258	KPGYANAJXHKOLM-ZEQRLZLVSA-N	517.648	1.822	0	40	KDAB	
CN1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)CC1	224330967	JCHOBEXACLGKDD-UHFFFAOYSA-N	571.121	1.869	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H](C[C@H]43)O[C@]3(CC[C@@H](C)CO3)[C@H]5C)C2)[C@H](O)[C@H](O)[C@H]1O	253498678	KFYOFJUUTSALEH-RRWDKMAASA-N	871.071	1.322	0	40	KDAB	biogenic
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)N2CCCN(C(C)=O)CC2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564628	WREXGPHMPUFMMA-QNKJOHNESA-N	571.719	1.710	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643566695	WZSSXIVWJZKHFS-HARLFGEKSA-N	506.603	1.668	0	40	KDAB	
Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O	15954339	HECFZBDSQFQFCH-UZTOHYMASA-N	513.591	1.483	0	40	KDAB	biogenic
COC(=O)CN1C(=O)N/C(=C/c2cc(I)cc(Br)c2OCC(=O)O)C1=O	408548640	KERYXTBLYGPXHG-XCVCLJGOSA-N	539.076	1.583	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](C)COc3ccccc3C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643570062	HSQGKVPAFRQVHD-OZXSUGGESA-N	609.724	1.452	0	40	KDAB	
Nc1nccnc1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578231	SIZGQELNPLRAKI-FCHUYYIVSA-N	511.623	1.622	0	40	KDAB	
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O	1529084329	MGSNWNLPMHXGDD-ADCCRUBQSA-N	930.128	1.138	0	40	KDAB	
CN(C)CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615118216	LKRZOYSTMDTPOP-UIOOFZCWSA-N	565.715	1.992	0	40	KDAB	
NS(=O)(=O)c1ccc(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1	1805281	PHWHZLLNMJVHKD-MRXNPFEDSA-N	541.822	1.403	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877516	URJDQUSJWWUNTP-VNIBXFEXSA-N	596.709	1.452	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575235	YTBVPOCZQCDXAS-PJKILVJMSA-N	564.617	1.451	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1	169292616	YVPYMQHYESYLIR-FSZSRBECSA-N	689.799	1.695	0	40	KDAB	biogenic,in-vitro
COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O	223255420	LQAQNSVVVRTILF-QHCPKHFHSA-N	505.637	1.679	0	40	KDAB	
CC(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@H]2OC(C)=O	253393394	POYYGIAOXNFMAN-WTVNJUOVSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@]12C	253402687	OODLPYNTTOEQHX-KMARWIFPSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)C2CCOCC2)CC3=O)CC1	253406416	ULHVWQSOQSDMNJ-QLOOJWSFSA-N	552.672	1.546	0	40	KDAB	
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	605705423	WCHBFWOEFOZHMK-IUUBUCGFSA-N	766.966	1.926	0	40	KDAB	biogenic,in-vitro
CN1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)CC1	643566932	LSRGZVMCZCFNRY-AFESJLNVSA-N	561.683	1.450	0	40	KDAB	
COc1ccc(CN2CCC3(CCOc4ccccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1	1548888901	BKSUBIXVPPSVFR-IRLDBZIGSA-N	515.632	1.753	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	4277876	YQBQYSXNNCJDGF-ZEQRLZLVSA-N	562.714	1.691	0	40	KDAB	biogenic,in-vitro
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	12616473	WWSXYOVBPMAMQS-UHFFFAOYSA-N	509.606	1.940	0	40	KDAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1OC	13150538	XBEQBECHXAATAQ-NRFANRHFSA-N	507.595	1.463	0	40	KDAB	
Cc1nc(C(N)=O)c(N)n1CCN1CCN(C(=O)CCCCCCCCCCN[C@H]2N=CNc3[nH]cnc32)CC1	19329913	KTULRZGHBYYTSL-SANMLTNESA-N	555.732	1.993	0	40	KDAB	
CCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666503	RZJLKJKYQUODNV-UHFFFAOYSA-N	506.592	1.593	0	40	KDAB	
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C	77312576	DUXHVCKABSGLJH-CWTJUICISA-N	512.640	1.418	0	40	KDAB	in-vitro
CC(=O)OCC(=O)Nc1c(I)c(C(=O)NC[C@@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)NC[C@@H](COC(C)=O)OC(C)=O)c1I	150650812	MUJGKJDSVJWBLH-IRXDYDNUSA-N	973.246	1.451	0	40	KDAB	in-vitro
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1	224245728	RVEXMRZUDNOQQK-QFIPXVFZSA-N	539.676	1.957	0	40	KDAB	
CC[C@H](C)[C@H](N)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	245333836	BBLHYOJGXPTSMN-RIUBDIQTSA-N	568.671	1.862	0	40	KDAB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@@]56OC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)C[C@@H]5O[C@H](O)[C@@H]6O	253394135	AJNHZNGIYWGSEM-PHKFRLGRSA-N	542.581	1.404	0	40	KDAB	biogenic,in-vitro
CCn1c(CCCC(=O)N2C[C@@H](O)C[C@@](C)(O)[C@H](n3cnc4c(N)nc(N)nc43)C2)nc2ccccc21	257307431	SYPHAOOPUOUCFM-AKQVGLANSA-N	507.599	1.269	0	40	KDAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)c1	408658230	QIEGGNMIHMTMTR-HNNXBMFYSA-N	501.492	1.396	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	575190574	PEDLHTCZTNWMIO-KKEOFIBTSA-N	945.877	1.615	0	40	KDAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@@](O)(COc2ccc(F)cc2F)C1	585282427	JXRNKJYLVZPGFF-SANMLTNESA-N	531.560	1.736	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)c(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1	1879261	ZOXIYCJHLRJPSU-GUBQRQEFSA-N	568.604	1.194	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	2060534	TWBVZYOVRACGTA-MYXKAAJQSA-N	575.599	1.996	0	40	KDAB	
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	14095654	FNMAXOUGBZTWSF-DEOSSOPVSA-N	512.544	1.859	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	20458126	BBTVWKYMGVGTPR-UHFFFAOYSA-N	527.621	1.664	0	40	KDAB	
O=C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccc(F)c(F)c1	32960923	MFQZMCHKTXCNEN-UHFFFAOYSA-N	508.547	1.954	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	70697366	NCNYNAVURBMHFJ-DVVWYOFYSA-N	541.004	1.894	0	40	KDAB	biogenic
COc1ccc(C)cc1S(=O)(=O)NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC	575425104	XNPHJRLBUSRIES-SFHVURJKSA-N	546.689	1.477	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	643567346	CWVZFEBRHNQVSV-DQEYMECFSA-N	562.598	1.615	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C(C)C)CC2)CC(=O)N[C@H](CC(C)C)C1=O	643582474	ABQAJDWMZUWAHK-PKTZIBPZSA-N	529.682	1.500	0	40	KDAB	
C/C(=C\CC/C=C(\C)CC[C@@H]1O[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]1(C)O)CC[C@@H]1O[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]1(C)O	1772591513	CLDUAPYOOGANAK-OACSMJDOSA-N	835.038	1.007	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@@]34[C@H]5C[C@]6(O)[C@H](OC(=O)c7ccccc7)[C@H]5[C@](OC(C)=O)([C@@H]([C@@H](OC)[C@H]32)[C@H]14)[C@H](O)[C@H]6OC	2060990652	RIPYIJVYDYCPKW-VXYJYSKDSA-N	687.783	1.219	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)cc1	2718472	TVVFGCWLGBDWED-UHFFFAOYSA-N	528.572	1.664	0	40	KDAB	
C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	3277902	MXEJEZGTJQKDEB-LBPRGKRZSA-N	520.951	1.549	0	40	KDAB	
O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	12565743	SIUGFKHNYHTVGI-LJQANCHMSA-N	506.968	1.463	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)[C@@H]2SC1	13640326	IUTVAJOSFKUTOP-TVSFZTNBSA-N	515.386	1.200	0	40	KDAB	
CCOC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1	32682362	XNTJHCWXQJCVAB-ZEQRLZLVSA-N	530.618	1.837	0	40	KDAB	
Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337148	VZWKDVGNHFINHU-UHFFFAOYSA-N	510.016	1.564	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCc3ccccc3C1)c(=O)n2Cc1ccccc1	103054378	LTIXTWCGYORGGJ-UHFFFAOYSA-N	531.569	1.183	0	40	KDAB	
CCCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224470791	MEPJSMPHOJGEDF-UHFFFAOYSA-N	555.675	1.458	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C	257199107	SKHJNNFXCKTDBG-OILXHVKCSA-N	708.886	2.000	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3cccc(OCCCN)c3)CC2)OC[C@@H]1n1cc(Cl)c(O)nc1=O	257267203	MGJAUPCTQLPHJA-CVDCTZTESA-N	506.987	1.717	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CCC(=O)NC2(CC2)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643570215	RPJDETWRHIIYIH-UPVQGACJSA-N	550.656	1.829	0	40	KDAB	
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OCCNCc1ccccc1)C(=O)O	2037879645	IXNFFRKFHXWLIK-KXBFYZLASA-N	504.971	1.462	0	40	KDAB	
CCn1c(SCC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nnc1-c1ccncc1	12850520	ODIZJPDFVOFKSA-UHFFFAOYSA-N	502.601	1.220	0	40	KDAB	
Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	100273464	RAKMNVNYQAVMEK-UHFFFAOYSA-N	622.751	1.255	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(S(N)(=O)=O)ccc21	100877569	RIJZZFBLCGQJMK-GYHWCHFESA-N	516.557	1.308	0	40	KDAB	
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1	102873928	VGTSJEPUGGOBMI-UHFFFAOYSA-N	525.612	1.820	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	254347258	BJNLCTXPPRPFFK-YHDCXSKOSA-N	517.940	1.676	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1	257585842	VXVGFMUNENQGFW-GXJSTGOASA-N	756.857	1.543	0	40	KDAB	biogenic,in-vitro
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@H]4C(=O)NC(=S)N(c5ccccc5)C4=O)c(=O)n32)cc1OCC	408939838	UMICQVMORUMNQN-RWGFAJFZSA-N	606.682	1.831	0	40	KDAB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl	575422657	NXGBNBSYOBIAOC-NXEZZACHSA-N	514.634	1.379	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(OC)ccc3OC)cc2)c1	575422823	OJKMLTNMILSYOJ-FGZHOGPDSA-N	642.730	1.875	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568248	UMTULDDVQKGHMA-LHVAKHTCSA-N	590.652	1.659	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccc(C)o1	12769994	CTSRTPPNWRPAQB-NRFANRHFSA-N	501.492	1.750	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1	20032366	MSADLSRKHIUIKU-UHFFFAOYSA-N	503.602	1.550	0	40	KDAB	
CC(C)C[C@H]1C(=O)NCC[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O	82195400	BUVMDQSPTWIZGE-KVUXJRKHSA-N	670.811	1.458	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	100250328	BPDBXEVYPPWFPU-NLCRGRMESA-N	551.618	1.566	0	40	KDAB	
CNC(=O)CCC(=O)N[C@H]1O[C@@H]2CC[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C	104295050	SWJNZTGFSRJUQQ-RUKWVBCOSA-N	582.742	1.538	0	40	KDAB	
Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)N(C)C)c1	224231666	MNXPEAPIHLKPJJ-UHFFFAOYSA-N	512.654	1.362	0	40	KDAB	
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)c1cnccn1)CC2=O	253399793	JYRRJQOMPFOWDW-RUKUNBKWSA-N	507.591	1.685	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CCCCC1)CC2	1548891089	WCILHJKTKWFTMV-RPBOFIJWSA-N	576.760	1.961	0	40	KDAB	
O=C(NCC(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)O)CC[C@H]1O)OCC1c2ccccc2-c2ccccc21	15721789	PWGVGGAHJIWHRV-RJGXRXQPSA-N	507.543	1.910	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(I)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	106383355	BACZETLXMXQASX-UJMXGEILSA-N	549.314	1.326	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C(=O)O)CC[C@@]12O	118923255	HIWAUMHEHZRTHX-SRTONKBASA-N	568.616	1.518	0	40	KDAB	
CC(=O)OC[C@H](CNC(=O)c1c(I)c(N)c(I)c(C(=O)N(C)C[C@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O	150342750	HEHGJKXXZCQSIS-LSDHHAIUSA-N	887.200	1.874	0	40	KDAB	in-vitro
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	224208686	VRRXGPILONMNMN-UHFFFAOYSA-N	534.454	1.661	0	40	KDAB	
Cn1ccnc1CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3ccccc3F)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1	253395987	CXVDYUQKOCVRGW-JVGMMHMTSA-N	560.648	1.262	0	40	KDAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@@]54C)[C@@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257469609	KYWSCMDFVARMPN-PVIWQDHWSA-N	780.993	1.777	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643576053	GKOXNTFWWONTHI-KYJUHHDHSA-N	685.826	1.940	0	40	KDAB	
O=C1CN(C(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c2ccccc2N1	2037879694	LQUXZXILUOTUPW-LJAQVGFWSA-N	531.613	1.939	0	40	KDAB	
COC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccnc1	1767466	SEOQBBUYBNOTQV-DTBYZMGXSA-N	532.603	1.208	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1	2240102	MTFWYRSDRQXBCK-GRTQGXPSSA-N	522.579	1.567	0	40	KDAB	
COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(OC)cc5)C4)CC3)CC2=O)cc1	9553997	BPLICWXNVPPLFE-WOJBJXKFSA-N	520.586	1.781	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(Cl)cc2O)c(N)n(Cc2ccccc2)c1=O	13068586	JUEWLFYLGBBODQ-UHFFFAOYSA-N	501.879	1.212	0	40	KDAB	
O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	195529859	CXIBFANOJADLNG-GGPKGHCWSA-N	505.593	1.238	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1	224245794	RVEXMRZUDNOQQK-JOCHJYFZSA-N	539.676	1.957	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	224481496	HWPPGTJAJCKIKR-QFIPXVFZSA-N	558.078	1.709	0	40	KDAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@]23C)O1	1549184160	DOBBVWQBEBEQJI-ITDQLMPZSA-N	801.024	1.362	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@@H]3[C@@H](C[C@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]43C)[C@@]3(C)C[C@@H](C)[C@@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O	1857787600	ODVSKBPWRRQPNN-OFKMMSJNSA-N	801.024	1.215	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3	12864294	TXIKBQYWWSLPJI-JMQGSBJISA-N	525.602	1.355	0	40	KDAB	biogenic
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1Cl	19818718	RJBMARNALRGCCB-LJQANCHMSA-N	501.971	1.355	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)[C@@H]2SC1	22831415	YCEPAMYYBXSCCK-VLIAUNLRSA-N	507.475	1.460	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1cc(F)ccc1OC	59838157	NLGIXOUGYLGVCV-UHFFFAOYSA-N	529.612	1.182	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	87528837	MWFRKHPRXPSWNT-QNPWSHAKSA-N	719.910	1.132	0	40	KDAB	biogenic,in-vitro
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1	224441687	AUMLVVQECBZCKC-UHFFFAOYSA-N	576.491	1.431	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253498795	YFGQJKBUXPKSAW-JWJSHMNWSA-N	969.128	1.642	0	40	KDAB	biogenic
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@@]12C	257468854	KWRQPASKWCJCPI-YZKXWPAVSA-N	770.998	1.759	0	40	KDAB	endogenous,in-man
COc1ccc(C(=O)CNCCN(CC(=O)c2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1OC	575420343	BAHSLCWPVJVNQB-FQEVSTJZSA-N	534.631	1.865	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCOC)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564669	ZILDJKZGUCGHQT-ORVPSHMPSA-N	518.655	1.782	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O	3360375	AMZMDNXKFVRMON-UHFFFAOYSA-N	566.942	1.165	0	40	KDAB	
COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600219	VRQWUMZZRXHXFS-SFHVURJKSA-N	512.382	1.237	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1	13139997	ZTBFHOXAFHRUIH-UHFFFAOYSA-N	511.622	1.999	0	40	KDAB	
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCC4(CC3)OCCO4)CC2)c1	67337423	DXWCVEWTLTUCQB-UHFFFAOYSA-N	503.625	1.527	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O	85541159	DVGGLGXQSFURLP-OGAINLEKSA-N	594.525	1.725	0	40	KDAB	biogenic,in-vitro
O=C(O)CCC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	98042973	YJGDBIPJPLHQKF-VIFPVBQESA-N	533.056	1.578	0	40	KDAB	
CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C=O)CC4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1	514287526	IMEPWJSYQJSADM-IZHDTIJTSA-N	537.705	1.687	0	40	KDAB	
COc1ccc2cc([C@@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)c(=O)n(C)c2c1	524729207	ITELZUSDYCUCRD-ZWCUEREDSA-N	572.618	1.994	0	40	KDAB	biogenic
O=S1(=O)C[C@@H](N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)[C@@H](O)C1	575420849	FSDQXHXYUMPUOL-MSOLQXFVSA-N	632.374	1.339	0	40	KDAB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1	575425698	HJDNYJAUSLBMJX-AWEZNQCLSA-N	615.491	1.546	0	40	KDAB	
CO[C@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]3(C)[C@@H]12	584908946	GLQYFMRUYWFXGT-KEGCSNNHSA-N	813.035	1.385	0	40	KDAB	biogenic,in-vitro
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCCN(C(C)=O)CC2)c1	643550439	HYIAAGWQYYYQMM-FWLJPKAVSA-N	648.842	1.787	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O)C(=O)NCC(=O)O	9011722	MFXYTMCNJLAKPI-UNMCSNQZSA-N	505.531	1.709	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC	15959576	FDSIATCTSUDLES-WTLLVQHOSA-N	506.559	1.241	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC	20032151	APXBCXAICVCSAH-SFHVURJKSA-N	525.649	1.671	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	67337746	NDIYVNAHWZSEDC-UHFFFAOYSA-N	525.031	1.499	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccn2C)ccc1-n1cnnn1	100335898	ZQLJUMOARRYKOR-HRFSGMKKSA-N	570.614	1.824	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O	252679623	PGRWPWIGJLNDHN-ZBXMMOGZSA-N	758.907	1.082	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2C[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1	257329442	XKAKBIWCEQMOBT-BWPNAZKDSA-N	527.582	1.167	0	40	KDAB	
Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(C)c2oc1=O	2109689	HECFZBDSQFQFCH-XHCCPWGMSA-N	513.591	1.483	0	40	KDAB	biogenic
CCCN(C(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079668	CEBLKMTZTUBFCV-UHFFFAOYSA-N	507.503	1.061	0	40	KDAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)=O)C3)cc1	97963502	KVNXATRNARAPJS-UHFFFAOYSA-N	553.659	1.975	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	102911067	WRTBAUKTKQEXES-VWLOTQADSA-N	544.586	1.275	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O	150350506	ADBHAJDGVKLXHK-LMXUZNBISA-N	864.010	1.077	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224460555	ZUNIYLONVMMBBO-UHFFFAOYSA-N	553.659	1.309	0	40	KDAB	
CCCCC[C@H](O)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	253388194	VVUAHGLHHLVKDR-JMXZUGRBSA-N	740.925	1.314	0	40	KDAB	biogenic,in-vitro
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H](C)COc2ccccc2C(=O)N1	643571606	GCHWXQPDVODKEL-VSDWSMLSSA-N	570.691	1.081	0	40	KDAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C=CC3=C5CC(C)(C)CC[C@@]5(CO)[C@@H](O)C[C@]34C)[C@@]2(C)CO)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O	1529054955	WRYJYFCCMSVEPQ-DNFLJHSVSA-N	780.993	1.681	0	40	KDAB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)c3cc4c(=O)n(CC(C)=O)c(=O)n(C)c4nc3C[C@H]1C)C2=O	1547139561	SZZGFMSMCHERJR-JUTIIYIPSA-N	527.917	1.744	0	40	KDAB	biogenic
Cc1cc(=NC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)[nH]n1C	2037879451	XFASFNDWMQYTHL-NXCFDTQHSA-N	562.715	1.770	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1	2037942883	LIVLABYLMCETPC-MUUNZHRXSA-N	524.618	1.824	0	40	KDAB	
Fc1ccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5cncn5)cc4)CO[C@H]23)cc1	4259884	CYZJYJDCEJBVMC-VNTMZGSJSA-N	509.527	1.879	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6547004	UGEONMLNLJDJTN-NRFANRHFSA-N	557.560	1.802	0	40	KDAB	
CC(C)(C)OC(=O)N(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	41701558	ZKSDGOCADPXMKW-AJIIGFCHSA-N	632.707	1.822	0	40	KDAB	
COc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1	60060900	XSRJTUADYGBSGU-UHFFFAOYSA-N	530.600	1.107	0	40	KDAB	
CCCCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCCCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	195482298	SNGFHGFOLQRBKC-UHFFFAOYSA-N	887.004	1.899	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1	224311325	HCKWIYGPWITHRH-UHFFFAOYSA-N	528.628	1.418	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O	224469130	DAODTSDLDAFISU-JOCHJYFZSA-N	525.649	1.447	0	40	KDAB	
Cc1cc(OC[C@@H](N)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)O)cc1Cl	2037879520	BCSQNYFOSBWHKC-HKBOAZHASA-N	505.999	1.913	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@@H]1N(C)C(C)=O	5082696	KVOAVYAOMXRKEN-JSAFQYNZSA-N	510.507	1.318	0	40	KDAB	
COC[C@@H](COCCCNC(=O)NCCCCCCNC(=O)NCCCOC[C@@H](COC)OC)OC	12417907	CLGSOXUFQBZHFW-SZPZYZBQSA-N	522.684	1.281	0	40	KDAB	
COCCN(C(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38139598	VYETWELPAVTDGP-UHFFFAOYSA-N	537.602	1.733	0	40	KDAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C(C)=O)cc2)CC1	38784336	DYQRJBIPEBWQCF-HSZRJFAPSA-N	507.591	1.376	0	40	KDAB	
CCCc1nc(C(C)(C)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	77312056	WEKAQESFGDVLAF-UMWNSNATSA-N	622.635	1.573	0	40	KDAB	in-vitro
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O	252286750	HRKNNHYKWGYTEN-LLVLWFIBSA-N	734.969	1.559	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2	253399068	IEHBTNLSKKGHJI-CFJXPYFLSA-N	520.630	1.964	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5CCN(C)CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253403167	PKPYUTHOKVDNCA-JGDRUYDSSA-N	581.718	1.333	0	40	KDAB	
C[C@@H](O)[C@@H](C(=O)N1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1C(=O)Nc1cccc(C(=O)O)c1)[C@@H]1N=C(C(=O)O)[C@H](S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)O)c3)C2)[C@@H]1C	1570001127	KFMXBHFRIBLSQJ-BIAUDALJSA-N	951.046	1.890	0	40	KDAB	
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1	8399697	DRALUGNKWINISF-UHFFFAOYSA-N	736.832	1.940	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(Br)cc1	9974865	QBFVABHSGIIDPA-KNJMJIDISA-N	502.314	1.484	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O	96018741	GTYKHTUZRFNUJV-RUZDIDTESA-N	546.577	1.287	0	40	KDAB	
CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC1CCCCC1	102565027	NBTJDPSAJZDMSX-WAPCQROESA-N	540.610	1.611	0	40	KDAB	
O=C(CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCCN12)N1CCOCC1	103022445	FNNKSNDAVJMNBK-LBCJCTBSSA-N	514.582	1.761	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)C2CCC2)CC3=O)CC1	253402093	NXVMJAJHUNOBCQ-ODZHZFGHSA-N	522.646	1.919	0	40	KDAB	
CCn1c(CCC(=O)N2CCC3(CC2)C[C@H](n2cnc4c2c(=O)n(C)c(=O)n4C)[C@@](C)(O)CO3)nc2ccccc21	257234919	GVPMATKUMULPEO-KMRXNPHXSA-N	563.659	1.510	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc5c(c4)OCO5)CC3)nc21	2349210	BPOOGIQVWPXRPW-UHFFFAOYSA-N	527.534	1.819	0	40	KDAB	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2F)CCN1C(=O)c1cnccn1	4200985	LZHIYJPPONWPLN-VWPQPMDRSA-N	537.527	1.372	0	40	KDAB	biogenic,in-vitro
COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)CF	78938880	MVPQJUFFTWWKBT-UAUZMGQXSA-N	630.670	1.462	0	40	KDAB	in-vitro
CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)n1	103061274	QBEOYQXZSKFIOB-UHFFFAOYSA-N	532.600	1.351	0	40	KDAB	
CCc1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	150381741	XEQWGLUCZUVJEG-XMHGOIPJSA-N	740.708	1.248	0	40	KDAB	
COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)s1	223453925	ISZSUKKGHCKQJS-UHFFFAOYSA-N	506.031	1.645	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CN8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253667126	KRQDMAXNTWLTDZ-HCTICQNOSA-N	721.929	1.963	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@H]2[C@@H](C)C[C@@H]3OC(=O)[C@@H](CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)[C@@H]3[C@@H](O)[C@@]12C	504390735	XNZOOKULEFZSKF-LYJDKZHNSA-N	556.656	1.716	0	40	KDAB	biogenic
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CC(=O)N(Cc2ccccc2)CC1=O	643570378	CFBUKNDVZMGBFC-QHCPKHFHSA-N	506.603	1.971	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@](O)([C@@H](OC)[C@@H]23)[C@@H]14	2049252028	IPWQJEONCUFCOR-YWDZJIMRSA-N	710.821	1.952	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1	6281138	RPTWBTYEMCDHCI-VWLOTQADSA-N	536.637	1.988	0	40	KDAB	
CCCN(C(=O)COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12590090	HFKUTDIVHHCNFB-UHFFFAOYSA-N	525.562	1.889	0	40	KDAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC	17433746	XQUFWLDQKXRJBP-QHCPKHFHSA-N	546.646	1.679	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1	223365906	ONINTVJPFIFXPI-UHFFFAOYSA-N	537.660	1.846	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3C[C@]4(C)[C@@H](C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	257451611	JBGYSAVRIDZNKA-CEZCMKFHSA-N	801.024	1.359	0	40	KDAB	endogenous,in-man
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccc(=O)n(CC(N)=O)c2)CC(=O)N1	643556477	MCVDSOCRNAIUBM-FQEVSTJZSA-N	560.051	1.563	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	643567772	VRFRBRJPJFMUNQ-VXKWHMMOSA-N	616.597	1.539	0	40	KDAB	
C[C@@H]1NC(=O)CN(C)C(=O)CC[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)C[C@H](c2ccc(F)cc2)NC1=O	643569640	NMCRUDASWAEVSQ-FFZOFVMBSA-N	611.597	1.037	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6905031	NKHLSINJBGUPPU-HXUWFJFHSA-N	513.576	1.992	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3)CC2)cc1	38784298	ZURJHYBHIRFWAA-QHCPKHFHSA-N	507.591	1.341	0	40	KDAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	59852313	ZUYMWFPDSFKPMW-UHFFFAOYSA-N	537.660	1.821	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	59853624	HYDATERYPGZGNF-INIZCTEOSA-N	529.662	1.817	0	40	KDAB	
CC(C)C[C@@H]1N[C@H](C)C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O	150354479	KMFLZDPCUPDECZ-UCBAHZDZSA-N	772.948	1.296	0	40	KDAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCC(=O)O	214308667	GSPSFMDVFNWPTA-RIYZIHGNSA-N	515.338	1.816	0	40	KDAB	
COc1ccc(C(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]2CC(C)C)cc1OC	643551593	XUVRGPNBZRLMDF-QTDJFWLRSA-N	524.655	1.956	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O	643564960	PHLPABHJKUMLEK-RBZQAINGSA-N	571.719	1.758	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2c(C)nn(C)c2C)NC(=O)c2ccccc2OCCN(C)C1=O	643566803	WTBCZLOTHGGJOA-WVBBGBOVSA-N	540.665	1.266	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576508	NOFRSYRDVIGHGD-SVBPBHIXSA-N	628.730	1.450	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCNC1=O	2037916303	BRFUZBVYTCUTEN-ABYGYWHVSA-N	648.761	1.158	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Cl)c(C)nn4C)[C@H]3SC2)s1	2747954	NREKQWVIVINMIT-MEBBXXQBSA-N	501.015	1.686	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(Br)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	12406342	QBFVABHSGIIDPA-CENDIDJXSA-N	502.314	1.484	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl	19820926	UXHVBMCTPLIKBM-NRFANRHFSA-N	528.009	1.542	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1OC	20031727	TWXOUAXLVCCKIF-UHFFFAOYSA-N	525.649	1.671	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O	252463654	NZNHJGNBLPBNLU-OIXUNAFCSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389356	ISTWCKNDZOSMPU-QECLKCOHSA-N	927.135	1.732	0	40	KDAB	biogenic,in-vitro
O=C(O)COCCOc1ccc(-c2coc3cc(OCCOCC(=O)O)cc(OCCOCC(=O)O)c3c2=O)cc1	263583528	HOTHHVXUQKRJEJ-UHFFFAOYSA-N	576.507	1.900	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643565657	FUUDKAPFPMYSMQ-VXKWHMMOSA-N	515.655	1.207	0	40	KDAB	
COc1cccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)[C@H](C(=O)N[C@H]3CCCNC3=O)C2)c1	5397368	QEIACKWLISMGLN-GOTSBHOMSA-N	522.606	1.515	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6546751	FNVJFRPKRUSDPZ-HXUWFJFHSA-N	511.560	1.906	0	40	KDAB	
Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O	8901809	QRVNAUVUPBKJGE-UHFFFAOYSA-N	506.382	1.408	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1F	20492874	FGSZOYOGCXKSLY-UHFFFAOYSA-N	508.557	1.668	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF	71788519	PYXKCONTYDRPRE-NPZLAWLJSA-N	616.643	1.373	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O	104893013	GNBHVMBELHWUIF-SGEJCHJDSA-N	593.766	1.316	0	40	KDAB	biogenic,in-vitro
CCOCOC[C@@H](O)[C@@H](OCOCC)[C@H](OCOCC)[C@@H](OCOCC)[C@@H](O)CP(=O)(OC)OC	198871913	SCLBCMCXPRADKK-TXVWBRJLSA-N	536.552	1.342	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224237228	VUQOAOPZVICGMD-FQEVSTJZSA-N	501.602	1.816	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226057391	BHVOTGINCCOMLK-UHFFFAOYSA-N	513.613	1.598	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](OC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	306122072	PEDLHTCZTNWMIO-QLSKDBORSA-N	945.877	1.615	0	40	KDAB	
CCOc1cc(N)c(Cl)cc1C(=O)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)[C@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O	1569996484	MXOZOSCURHXPKN-QUYYBVGASA-N	612.007	1.547	0	40	KDAB	
COc1ccc2c(c1)CCc1cnn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c1-2	5410408	SWJRKNKSOYQLAM-BMLQBVLXSA-N	530.530	1.913	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)OCO2	13646142	FCNVIOBONOOIJQ-UHFFFAOYSA-N	509.606	1.413	0	40	KDAB	
O=C(O)CCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCC(=O)O)ccc1-2	27228800	NLTQGCLGQYSXCX-UHFFFAOYSA-N	510.546	1.184	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(C(F)(F)F)c1	102253612	OGOUZQSMHJMQHB-OAQYLSRUSA-N	561.561	1.908	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2cccc(F)c2)NC(=O)c2ccccc2OCCNC1=O	643562555	QLFKHQGROZTENV-VXKWHMMOSA-N	512.582	1.713	0	40	KDAB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	2653435	RXTOZHOGPJYYTI-UHFFFAOYSA-N	534.978	1.575	0	40	KDAB	
O=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1	3228477	KAIZEZRJHICWRY-UHFFFAOYSA-N	511.394	1.986	0	40	KDAB	
C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O	8791813	SXCIYEAPHOHMEG-IHPCNDPISA-N	503.596	1.897	0	40	KDAB	biogenic
COC(=O)[C@@]1(Cl)O[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H]1Sc1ccccc1	77269842	UCRSUTGMKNMKAW-PCJMUEQVSA-N	618.057	1.517	0	40	KDAB	in-vitro
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O	96019858	SANDEXFKILPCRA-AREMUKBSSA-N	542.614	1.289	0	40	KDAB	
CCOC(=O)[C@H](NC(=O)[C@@H](CCCCNP(=O)(OCC)OCC)NC(=O)[C@H](C)NC(C)=O)C(C)C	105531796	NSLRJXLINGVTRI-QXAKKESOSA-N	522.580	1.641	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1OC	106030884	UZZQNHQHEZLKKC-PKOBYXMFSA-N	554.669	1.738	0	40	KDAB	biogenic
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@H]2CCCN2C1=O	150339207	YGXCETJZBDTKRY-WRUGGPCWSA-N	866.973	1.270	0	40	KDAB	in-vitro
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C5CCC5)CCN4C3=O)O2)cn1	253409004	ZGKJJXKXNVPTCI-FNFLUXIASA-N	523.634	1.573	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC)C[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccccc1	253492314	PHDZNMWTZQPAEW-RQFFNJICSA-N	629.747	1.677	0	40	KDAB	biogenic
CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](OC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	306122071	PEDLHTCZTNWMIO-NJBYREKMSA-N	945.877	1.615	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@](O)(COc2ccccc2)C1	585271692	BMDNQEKVORCZJC-HHHXNRCGSA-N	512.607	1.191	0	40	KDAB	
Cn1c(=O)c2c(ncn2CC(=O)N2CCC3(CCCCc4ccccc4OC[C@@H]4CCCN4C3=O)CC2)n(C)c1=O	643557460	MVQAECGWWRVKBC-QFIPXVFZSA-N	562.671	1.839	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@@H](N)Cc1ccccc1)C(=O)O	2037879580	FRJVIFNQHDYIGB-RWUSJYOISA-N	533.025	1.878	0	40	KDAB	
CSCC[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN[C@H](CCSC)C(=O)O)cc2)cc1)C(=O)O	4792104	GMAYADLDIZTBDK-FGZHOGPDSA-N	626.779	1.988	0	40	KDAB	
CC(=O)c1ccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	12946897	MJVZRQUYKIAQGY-UHFFFAOYSA-N	522.558	1.981	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	15969294	UILXXRNYDXFAKY-INPPHVCUSA-N	506.559	1.241	0	40	KDAB	biogenic
C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100928891	FYSGSJYHTVGYLT-HIUFNZKISA-N	506.669	1.897	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	223752383	JSXSJGXQPDNVJP-UHFFFAOYSA-N	553.644	1.929	0	40	KDAB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C\CC[C@@]5([C@H](C)O)OCC[C@@]6(O[C@@H]6C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1)[C@@H]5O	253401513	NCIFOYWXXVLKQO-JNMZWAGRSA-N	546.613	1.503	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6[C@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]45C(=O)O)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O	253500607	CPLXLUNIGVIJMQ-ZIWRFVIQSA-N	941.118	1.682	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1	4726363	KKSCPVVDEJRVIO-GSPCLOLRSA-N	505.480	1.230	0	40	KDAB	
O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600225	SHQYNTGNHYGWNL-KRWDZBQOSA-N	516.801	1.882	0	40	KDAB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](CC(=O)O)C(=O)O)(c2ccccc2)CC1	12884925	NURTYVJRYIJSGF-OALUTQOASA-N	517.579	1.990	0	40	KDAB	biogenic
O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCN(S(=O)(=O)c2ccccc2)CC1	23077533	FUYWPPTWLCKZLB-HSZRJFAPSA-N	501.586	1.692	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1	222694819	VUAKTVWTEUTMQA-INIZCTEOSA-N	501.577	1.961	0	40	KDAB	
O=C(O)COc1c(I)cc(/C=C2/NC(=S)NC2=O)cc1I	408787160	SPEBILKDQPNCBV-FPYGCLRLSA-N	530.081	1.704	0	40	KDAB	
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCN2C1=O	1542033319	YOKBGCTZYPOSQM-MYKKKZLNSA-N	896.107	1.532	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	1549184562	ZKMRZIYTCZLEAV-NSASNPBWSA-N	796.992	1.287	0	40	KDAB	
COCC(=O)OCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COC(=O)COC)ccc3c2=O)cc1	2060999964	GJUGNVIXFOZEOR-UHFFFAOYSA-N	514.439	1.650	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccccc4I)CC3)nc21	1851361	VSBVZJATDBJXDR-UHFFFAOYSA-N	592.419	1.951	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1	2709314	YRTFWNHPCYLUTP-UHFFFAOYSA-N	517.589	1.859	0	40	KDAB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1	8918166	CUPFYPGKZTVAQJ-OALUTQOASA-N	505.568	1.795	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCOCCOCCOCC2)C(C)C)cc1	13475870	KPKNFWKWMKCAPD-HSZRJFAPSA-N	516.657	1.223	0	40	KDAB	
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccs1	20465456	XSFHRUPKBXMDDV-LCLWPZTBSA-N	521.583	1.357	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC1CCCCC1	102565031	NBTJDPSAJZDMSX-NEWJYFPISA-N	540.610	1.611	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)c(F)c4)C3=O)CC2)cc1OC	102866065	LCXNSBUVAIRZJC-XMMPIXPASA-N	552.556	1.282	0	40	KDAB	
CCOC(=O)[C@H](NC(=O)[C@H](CCCCNP(=O)(OCC)OCC)NC(=O)[C@H](C)NC(C)=O)C(C)C	105531798	NSLRJXLINGVTRI-YTQUADARSA-N	522.580	1.641	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCCOC)cc2Cl)c1	222836811	WDFPQVLJDOCOHI-UHFFFAOYSA-N	506.002	1.499	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	244909669	AQKPXOWLUQPPRH-CXQZEGAPSA-N	531.514	1.661	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643565123	DCFVMUPYTFEFIS-SCTDSRPQSA-N	564.565	1.485	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2nc(C)cs2)CC(=O)N(C)CC1=O	643570823	STFRMVYYAIHROG-IBGZPJMESA-N	515.636	1.388	0	40	KDAB	
COc1ccc(C[C@H](NC(=O)C2=C[C@@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H](O)[C@H](O)C2)C(N)=O)cc1	4221809	DHNRKHVZTVCSKF-PLACYPQZSA-N	552.506	1.349	0	40	KDAB	biogenic,in-vitro
CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1	12541945	YLURAGSWPKIHGD-KRWDZBQOSA-N	515.009	1.621	0	40	KDAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)Nc1ccc(N2CCOCC2)cc1	12600469	NBTBNPVHPOGMLS-UHFFFAOYSA-N	505.549	1.045	0	40	KDAB	
O=C(c1ccccc1S(=O)(=O)NC[C@@H](O)COc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)N1CCOCC1	29752488	ZWKVBOMSCBJWEN-MZYLBHOOSA-N	569.636	1.333	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	44884682	XSXXORLDIVGKPU-UHFFFAOYSA-N	517.589	1.859	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706882	MDKCJSGKAIYQDL-RXYZOABWSA-N	551.625	1.782	0	40	KDAB	biogenic
CCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(CC(=O)OC)c3=O)cc2C1=O	103130064	PSOIZJHZUJLSHW-UHFFFAOYSA-N	576.562	1.249	0	40	KDAB	
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1O[C@@H](C)C(=O)O	409013159	LQQVJHZNTWUGTM-SMEDBKPVSA-N	524.530	1.915	0	40	KDAB	
CCOc1cc(CNC[C@]2(O)CCCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585272680	LWFKRTQOOCQTDT-HHHXNRCGSA-N	514.671	1.773	0	40	KDAB	
CC(=O)N[C@@H](CCCCN)C(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829055	IFBGHSMFHNJNAK-ZVBOOHQUSA-N	581.758	1.828	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O	6134967	VOBAMTUXDLOETR-HYVLGVRCSA-N	571.675	1.462	0	40	KDAB	
CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O	8234397	FEPMHVLSLDOMQC-JMLMYQKYSA-N	823.904	1.204	0	40	KDAB	in-man
O=C(COC(=O)c1ccc(O)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	12601253	BYPZJJIJOJLHBD-UHFFFAOYSA-N	505.549	1.045	0	40	KDAB	
O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	15186176	OGOYXMKHNPRMCR-UHFFFAOYSA-N	509.338	1.389	0	40	KDAB	
COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1	20610073	HCAZLKHBNDYKGY-JYFHCDHNSA-N	502.571	1.972	0	40	KDAB	biogenic
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl	59781906	BHQHXVHXQRJSCC-QFIPXVFZSA-N	542.036	1.851	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	97946033	MQRBYFLGBUPNBV-XHDPSFHLSA-N	541.302	1.275	0	40	KDAB	
Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I	100033345	WGLWRCXOMJLZME-UHFFFAOYSA-N	601.904	1.503	0	40	KDAB	in-vitro
O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1[C@@H](c1ccncc1)c1c(O)[nH]c(=O)n(-c2ccccc2F)c1=O	100725000	BHZRXEHMWGGACA-SFHVURJKSA-N	533.447	1.630	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582762	WFAXUTMZUDFMDC-PKTZIBPZSA-N	506.603	1.766	0	40	KDAB	
C[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	4018349	OUWDVGFXGJMUAS-VXKWHMMOSA-N	620.659	1.076	0	40	KDAB	
COc1ccc(C(c2c(O)[nH]c(=S)[nH]c2=O)c2c(O)[nH]c(=S)[nH]c2=O)cc1CN1CCOCC1	9057602	MMSXWEWBSZZRFY-UHFFFAOYSA-N	505.578	1.611	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)c1	38752150	KHZAQSKNXOPKDF-UHFFFAOYSA-N	515.610	1.804	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	95547988	VXVGFMUNENQGFW-ZNYZKYPASA-N	756.857	1.543	0	40	KDAB	in-vitro
COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	98005951	IJOAIKTXOURHMD-UKJNNRTMSA-N	605.515	1.055	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c(C)c1	103007213	WDGFXWMNDIGMIB-UHFFFAOYSA-N	536.676	1.269	0	40	KDAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C=C3[C@H](OC(C)=O)C[C@]4(O)[C@@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)CC2)[C@@H]1O	253500621	DPFSNFFFCPHBOW-CDRUQDSDSA-N	606.709	1.687	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCOCC1	408693421	SXMYHTRAHVSOIP-KRWDZBQOSA-N	503.577	1.877	0	40	KDAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1I	409189846	JIERWALXUSKWJL-BJMVGYQFSA-N	542.067	1.970	0	40	KDAB	
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1	13096865	PWIIBYOJTYQXND-QFIPXVFZSA-N	508.618	1.878	0	40	KDAB	
CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2nc(C)no2)c(=O)c2cc3c(cc21)OCO3	20562671	FPEDKCQIIFCZOH-UHFFFAOYSA-N	507.459	1.447	0	40	KDAB	
CCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994496	TUORAFKWCGJHHF-UHFFFAOYSA-N	527.669	1.233	0	40	KDAB	
CC[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)n1nc(C)c(Cl)c1C	97945441	NXNMTXPUPIYCKG-XTQGRXLLSA-N	527.032	1.159	0	40	KDAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)cc1OC	97986775	JNLMDYFZFVHVTG-UHFFFAOYSA-N	544.608	1.898	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	222856854	QUULYDJOTJCGCU-KRWDZBQOSA-N	505.593	1.786	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C	257199106	SKHJNNFXCKTDBG-MLCSSFLASA-N	708.886	2.000	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)NCCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(Cl)ccc1C	575426697	YIBVGCCVWPKSMK-ROUUACIJSA-N	571.526	1.737	0	40	KDAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1OC	2335847	SWHHVRQRIJTRTF-QFIPXVFZSA-N	519.436	1.331	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21	5665515	LHBZUQKAJBVIPP-XGOKJXSNSA-N	574.996	1.631	0	40	KDAB	
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1OC	10288020	XYMGXBNWUVGUPG-UHFFFAOYSA-N	511.622	1.311	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@H]2SC1	97945450	WSCPUQTYWBJXKL-LKFCYVNXSA-N	527.275	1.117	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OC[C@H]2O[C@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97986415	KQPACFUEGAAHNG-WKGJTWGPSA-N	669.721	1.904	0	40	KDAB	
O=C(Cn1cc(I)c(=O)c(I)c1)N1CCN(c2ccccn2)CC1	102367118	NMEGNCZTTBTRRP-UHFFFAOYSA-N	550.138	1.801	0	40	KDAB	
O=C(O)COc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1I	408789510	JTCAEFNQFQVTNB-FPYGCLRLSA-N	514.013	1.540	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643566898	YXUTVZCFRJPYEC-CVDCTZTESA-N	554.619	1.534	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569367	FCUYGKWBMWHGLV-VPUSJEBWSA-N	593.725	1.276	0	40	KDAB	
O=C1C=CCC2(CCN(CC(=O)N3CCCCCC3)CC2)C(=O)NCCNC(=O)c2ccccc2OCCN1	2037879619	HOMIZLDQSWFBBM-UHFFFAOYSA-N	539.677	1.472	0	40	KDAB	
O=C1C=CCC2(CCN(CC(=O)NCc3cccc(F)c3)CC2)C(=O)NCCNC(=O)c2ccccc2OCCN1	2037879908	WXOVISKJTHZOOH-UHFFFAOYSA-N	565.646	1.525	0	40	KDAB	
CN(C(=O)CSc1nc2cc(C(=O)O)ccc2c(=O)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	3382477	MOEMXNKAEZTARL-QGZVFWFLSA-N	501.586	1.881	0	40	KDAB	
NS(=O)(=O)c1ccc(CCN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	3668520	WILUMFIWGGASCW-QZEKMECESA-N	505.936	1.331	0	40	KDAB	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1	14951663	ZEXLJFNSKAHNFH-ZRJFKUPHSA-N	610.715	1.675	0	40	KDAB	biogenic,in-vitro
O=C(Nc1snnc1C(=O)N1CCN(c2ccccn2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	33435762	DMUGMMXIFWKMGX-SJORKVTESA-N	506.592	1.708	0	40	KDAB	
C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC1=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	67911588	ZSBANYQFXZZUDM-SEQKLJQMSA-N	534.646	1.349	0	40	KDAB	biogenic,in-vitro
O=C(O[C@H]1[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1	70665317	JTHMZZBJEBXXJU-XCQFYCGYSA-N	600.540	1.204	0	40	KDAB	biogenic
C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@H](C(=O)O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@]4(C)[C@@H]2CC[C@@H]1C3	85603395	FYQXODZRNSCOTR-KZDNQVGNSA-N	726.816	1.667	0	40	KDAB	
Cc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)cc1Br	98045685	JTAVMWGYKAFSOQ-MLGOLLRUSA-N	525.410	1.426	0	40	KDAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224442086	AYQGGARPRGDIRS-UHFFFAOYSA-N	541.648	1.067	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O	257507355	OVMSOCFBDVBLFW-IXGYVGOASA-N	586.634	1.653	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]45C)[C@@]3(C)CO)OC[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	257543929	SOLICHUQXFAOEP-FOSZJKPBSA-N	913.108	1.345	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@H]1O[C@@H](Sc2ccc(C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	258839885	XPESVSIBQABDCQ-JUJWBDIVSA-N	742.749	1.707	0	40	KDAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)C(C)(C)n3cncn3)CCO2)ccc1Cl	585285584	LRZBDMSMGULSKO-RUZDIDTESA-N	519.046	1.816	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643564704	BIOGEKRBCNSZFI-HJOGWXRNSA-N	543.709	1.793	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565763	JBIOCAPTQDIDAA-LOMAHXHCSA-N	591.709	1.996	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576621	XBJPEMMVJPJQJJ-VMPREFPWSA-N	654.768	1.984	0	40	KDAB	
CN(C)CCNC(=O)[C@@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCCOc2ccccc2C(=O)N1	1615157240	JOQQZHIGSUXDEX-DQEYMECFSA-N	602.777	1.623	0	40	KDAB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	5047696	VRWIMNXQXLLYDR-DNVJHFABSA-N	529.590	1.411	0	40	KDAB	
O=C1C(=O)N(C[C@H](O)COc2cccc3ccccc23)C(=O)C(=O)N1C[C@H](O)COc1cccc2ccccc12	8440174	SGRXXBMKPVPAQD-VXKWHMMOSA-N	542.544	1.897	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)NC(=O)N[C@@H]1c1ccc(C)o1	12755421	ZFZKUAHTTHJOTL-LJQANCHMSA-N	507.521	1.533	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1	59838273	VHTPCCBWYGECHO-RUZDIDTESA-N	543.667	1.914	0	40	KDAB	
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NN	95869744	WSDNILYHGWPGII-PMACEKPBSA-N	531.614	1.417	0	40	KDAB	
Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226053915	VGCFDDBZQCNBMA-UHFFFAOYSA-N	521.661	1.958	0	40	KDAB	
CCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	504636602	YBXSCTVUXLDXFV-JFOHGXHASA-N	578.644	1.934	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)cc3OC)cc2)c(OC)c1	575424992	DEZOFRHEYUFNSD-YADHBBJMSA-N	642.730	1.875	0	40	KDAB	
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1	2060990627	LBPZKMZBSNQRII-GDMCDAQUSA-N	578.699	1.998	0	40	KDAB	
COc1ccc(-c2coc3cc(OCC(=O)OCC(=O)O)cc(OCC(=O)OCC(=O)O)c3c2=O)cc1	2060993745	KXPAMDCIHNMKEM-UHFFFAOYSA-N	516.411	1.482	0	40	KDAB	
COc1cccc(N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)S(C)(=O)=O)c1	223293180	ZJNXHVRCLWWYMR-UHFFFAOYSA-N	541.648	1.910	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@]12C	253402701	OODLPYNTTOEQHX-YAXSKAOUSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643572722	GQXWRTUJSJYHAD-IUGBQFMMSA-N	609.724	1.475	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1cccc(F)c1)CC2	1548889000	DSFXDSADPAAREZ-RPWUZVMVSA-N	617.700	1.752	0	40	KDAB	
CN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCCCCOc3ccccc3C(=O)N2)CC1	1615160499	PRWVALHPOCPQFH-UIOOFZCWSA-N	563.699	1.746	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(CC(=O)N1CCC(C(N)=O)CC1)CC2	2037879514	AWKMJSIONQRQBS-TZRRMPRUSA-N	545.725	1.195	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1	6281140	PVRCOQSIWDVIPY-DHLKQENFSA-N	552.636	1.224	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC	12467529	KMHPBDOWMFMIEI-LJQANCHMSA-N	517.564	1.894	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643565932	NAFNLLSSNQKVRI-ZWSUVBHBSA-N	575.666	1.502	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@H](CC(C)C)NC1=O	643566491	ZATFBLUNDAOGAM-HBNGBVNPSA-N	552.676	1.778	0	40	KDAB	
COc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(OC)c1	6289570	PUWJKSQBZQXXOH-UHFFFAOYSA-N	520.608	1.612	0	40	KDAB	
COc1ccc(OC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	35183252	ZLUXQKPMUHNNTK-CRSSMBPESA-N	513.521	1.032	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12	85432358	BAVWXCNIABBHLQ-HJOGWXRNSA-N	700.842	1.475	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O	95568611	NBOMALQISRLJKY-UHFFFAOYSA-N	544.392	1.178	0	40	KDAB	
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)Nc1nccs1	97961364	FJPJGSHDVQGWEE-UHFFFAOYSA-N	526.647	1.999	0	40	KDAB	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(=O)[nH]c1=O	102863932	OKHRHMOJGRTHJY-UHFFFAOYSA-N	543.646	1.866	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216307241	WSIIBQIRXPPYHU-HMPZBHLVSA-N	511.505	1.198	0	40	KDAB	
COc1ccccc1N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	222677748	AOCYNWIMKSDGJO-UHFFFAOYSA-N	511.622	1.901	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	224239830	VNHJVIDWDHBFOR-UHFFFAOYSA-N	509.650	1.674	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)CCCCOC[C@H](O)[C@@H]1O	643550456	IQEVAUQBZUCHCT-FUDKSRODSA-N	503.999	1.505	0	40	KDAB	
CC(C)Cc1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)C3=CC[C@H](C(C)(C)O)CC3)c2o1	1772591284	RCOKBEQNXSUVDZ-VGCALFDISA-N	562.612	1.966	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	6135080	WLYZGKRYLZBQQG-HYVLGVRCSA-N	571.675	1.462	0	40	KDAB	
COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@@H](C)C(=O)OC)CCOCC1	9358186	VGEUTDRVGKPAOX-CIAFKFPVSA-N	530.659	1.378	0	40	KDAB	
CN1[C@@H](CCC(=O)N2CCc3ccccc32)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(S(C)(=O)=O)cc1	22922771	ZGCBYNALIDGGCI-NZJKTDFXSA-N	510.660	1.833	0	40	KDAB	biogenic,in-vitro
COc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32971945	OHMVHVIKEMHQNC-UHFFFAOYSA-N	531.610	1.512	0	40	KDAB	
COc1ccc(/C=C/C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC	32972000	GQARBCGODKXJJU-PKNBQFBNSA-N	515.611	1.953	0	40	KDAB	
CN1CCc2nc(C(=O)N[C@@H]3C[C@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1	100140539	HGVDHZBSSITLCT-UKPHBRMFSA-N	548.069	1.290	0	40	KDAB	in-vitro
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643569413	UJDDCQMFNJWDTD-AVRDEDQJSA-N	526.590	1.125	0	40	KDAB	
COc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643579308	XQCMFYIJRWIKTL-SVBPBHIXSA-N	588.661	1.957	0	40	KDAB	
O=C(COC(=O)COc1ccc(Cl)cc1)NCCNC(=O)COC(=O)COc1ccc(Cl)cc1	12975850	DKUFISOAJKXRKC-UHFFFAOYSA-N	513.330	1.770	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1	13739397	XSLKIPUMCHKLFF-UMSHPIDHSA-N	522.579	1.567	0	40	KDAB	
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)c(=O)c2cc1OC	15864652	FKRBEMANNKLRNA-UHFFFAOYSA-N	518.526	1.947	0	40	KDAB	
CC(Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C	101462079	YCKHKKKFTYSHHX-UHFFFAOYSA-N	580.694	1.257	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=O)Nc2ccccc2I)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575361	TWTMNPAFAURLLC-VYJAJWGXSA-N	592.339	1.496	0	40	KDAB	
CC(C)c1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224441375	VWOXYKLNIDSMMK-UHFFFAOYSA-N	539.676	1.792	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)c4c(F)cccc4F)CC3)c3c1OCO3)CCN(C)C2	524729055	ASFLPJMRKIGVLD-UHFFFAOYSA-N	509.531	1.837	0	40	KDAB	biogenic
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCCNC1=O	643567013	PLQUWHAEAZZUNF-LITSAYRRSA-N	593.725	1.753	0	40	KDAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1OC	2335849	SWHHVRQRIJTRTF-JOCHJYFZSA-N	519.436	1.331	0	40	KDAB	
NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1	2975223	DUZWDTJOVVJVEJ-UHFFFAOYSA-N	501.609	1.900	0	40	KDAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(OC)cc1OC	19817884	IYIHBAVTOIHFAV-RPWUZVMVSA-N	524.574	1.957	0	40	KDAB	
COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1	19824919	OCMQOYFMPRFIMS-UHFFFAOYSA-N	517.696	1.658	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	20031531	YGYWESQGUZMHGH-GOSISDBHSA-N	525.649	1.398	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)CC2)cc1OC	96019629	VULIDQPDEMKZEL-HHHXNRCGSA-N	588.639	1.165	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O)CO[C@@H](O[C@H]2CC[C@]3(C)[C@@H](C2)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@H]2[C@H]3CC[C@@]3(C)[C@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)[C@H](O)C[C@]23C)[C@@H]1OC(C)=O	256080314	VSTUEJHYITYINF-SIIYNVOSSA-N	843.017	1.476	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)c4cncc(Br)c4)CC3)c3c1OCO3)CCN(C)C2	524730003	QYCQJGUCKOAIOA-UHFFFAOYSA-N	553.435	1.716	0	40	KDAB	biogenic
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1OC	643565215	FUQWMIHVXHEJQC-WPYKKVEZSA-N	566.655	1.829	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CCC(=O)N(C)CC(=O)N1	643577882	IBVOOKNIZHRUHH-IZZBFERCSA-N	502.612	1.193	0	40	KDAB	
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@@H]([C@H](O)CO)O[C@@H](Nc2ncnc3[nH]cnc23)[C@@H](O)[C@@H]1O	4758205	YBZRLMLGUBIIDN-KWNBBLLWSA-N	621.780	1.503	0	40	KDAB	in-vitro
CC1(C)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@H]2S1(=O)=O	16025603	VTSDQSJBKBMGIY-FCEUIQTBSA-N	500.621	1.778	0	40	KDAB	biogenic
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1cc(Cl)cc(Cl)c1	19961956	CVEGWXKMGONAKP-GOSISDBHSA-N	506.394	1.261	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1	22609794	ALCUWCMTXBEAEJ-QFIPXVFZSA-N	530.025	1.835	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccn2C)ccc1-n1cnnn1	100335891	ZQLJUMOARRYKOR-DCFHFQCYSA-N	570.614	1.824	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	102920596	HDSYRLPPTUQRGD-UHFFFAOYSA-N	539.058	1.982	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1	226078335	MNBYCFBELSXWLR-UHFFFAOYSA-N	525.649	1.508	0	40	KDAB	
Cc1ccc(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575424771	MQARTLCGKZEZDI-SZPZYZBQSA-N	604.794	1.891	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(CCCCCCN3C(=O)[C@H]4[C@H](C)N[C@]5(C(=O)N(C)c6ccccc65)[C@@H]4C3=O)C(=O)[C@H]12	585139067	NGQVTJJPTHNQTI-IWXMQANPSA-N	652.752	1.476	0	40	KDAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCOCC3)c2)C[C@](O)(COc2ccc(C)cc2)C1	585280714	ABOQERBDHPOZPH-GDLZYMKVSA-N	527.662	1.807	0	40	KDAB	
COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)[C@@H]1C2	604405230	NYHCPFLEPOPXAP-AGHHOFFYSA-N	520.586	1.981	0	40	KDAB	biogenic
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548888918	CPNWSYOIWKQCSE-IRLDBZIGSA-N	515.632	1.849	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)cc4Br)[C@H]3SC2)s1	2735413	AHEMKARJZWJBKW-IINYFYTJSA-N	531.439	1.487	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	6190505	WLYZGKRYLZBQQG-PIATZUFCSA-N	571.675	1.462	0	40	KDAB	
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1	14086600	VLJGJVLNHISUFO-HSZRJFAPSA-N	522.530	1.274	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O	14141554	CVVYIIRUKVZJDR-SANMLTNESA-N	510.616	1.617	0	40	KDAB	
CC(C)(C)CC(=O)N1C[C@@H]2CN(CCO2)C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(OC(F)(F)F)cc2)NC(=O)C[C@@H]2O[C@H](C1)[C@@H](O)[C@H]2O	97976518	LMLRXBKKPYMYAY-FBMOVEOZSA-N	656.699	1.029	0	40	KDAB	
C[C@@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1	102937989	YWNOHPNAAAATNU-PCYTUBISSA-N	633.745	1.503	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	247913446	VJJPUSNTGOMMGY-VCWWKQIWSA-N	588.562	1.339	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C)c(C)c2)cc1C	575425155	YOLYUZWMFYKRPL-VXKWHMMOSA-N	530.690	1.047	0	40	KDAB	
COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c(OC)c1	1879915	UNIVMUYLLLDNHP-QFIPXVFZSA-N	504.421	1.742	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2[nH]1	4715037	BLEBKZBLEMTVLI-LSBAASHUSA-N	550.517	1.457	0	40	KDAB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	150424267	TVDOFTGCVQHDNT-PWHKKFIBSA-N	658.799	1.516	0	40	KDAB	
Oc1ncnc2c1ncn2[C@@H]1C[C@@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@H]2O1	263599599	JCEQFKTYTDQNAZ-XEFJYEMLSA-N	523.137	1.491	0	40	KDAB	
COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1	408579792	PAWGPCOFWMAWMA-FQEVSTJZSA-N	510.591	1.904	0	40	KDAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CCC1=O	643579441	ZBPXMSGUPPFNIU-YUVXSKOASA-N	516.639	1.583	0	40	KDAB	
CN(C)CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615157295	KPBPTIQUADXQAI-DQEYMECFSA-N	551.688	1.649	0	40	KDAB	
O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1c(F)c(F)c(F)c(F)c1F	2655476	UKRGIBUUYHGHQV-UHFFFAOYSA-N	507.397	1.215	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OCc2cccc(Br)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	12654187	BAWKASVQYQUJCP-PFAUGDHASA-N	516.341	1.622	0	40	KDAB	biogenic
CCC(=O)O[C@H]1[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC	102807570	WOQXRIFSRYQNJG-HPEVMFQJSA-N	516.540	1.931	0	40	KDAB	
COc1ccc(CCNC(=O)N[C@@H]2[C@@H](NC(=O)NCCc3ccc(OC)c(OC)c3)N(C)C(=O)N2C)cc1OC	103556140	QPOOCUOLGDTQNW-ZEQRLZLVSA-N	558.636	1.754	0	40	KDAB	
O=c1cc/c(=N\Nc2ccc(S(=O)(=O)O)c3ccccc23)c(=O)/c1=N/Nc1ccc(S(=O)(=O)O)c2ccccc12	111337644	DRLSINXEHBBLOE-LHIQKNTASA-N	578.584	1.938	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	123307053	AMRMTJOEQNHFBE-YLGWIKJRSA-N	596.670	1.996	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1	224272144	ZRCHDMRDXYKFKX-UHFFFAOYSA-N	525.649	1.541	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@H]1[C@H]2[C@@H](OC(C)=O)C[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O	254414608	LWEDMLOAXCZSBB-PPPFJMJOSA-N	606.665	1.916	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@@H](C(C)C)NC1=O	257382278	AXZPAGVFIVOODG-MLSSEVSRSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(C(C)=O)cc4)CC3)nc21	2358839	VNNMIIIATOOBOW-UHFFFAOYSA-N	508.560	1.549	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1	8715732	VGUUDSNUJASRMW-CFEGQOMGSA-N	510.878	1.726	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1	59838270	VHTPCCBWYGECHO-VWLOTQADSA-N	543.667	1.914	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	224698972	UHBZJJRONHOISQ-UHFFFAOYSA-N	541.648	1.546	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(CO)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389511	NOKUIKNJHIHLGT-VZBVMXEMSA-N	913.108	1.344	0	40	KDAB	biogenic,in-vitro
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565886	RDWYFTFBZTYXFP-GOTSBHOMSA-N	540.665	1.266	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)NCc4ccccc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548889631	JPUYBPBNIFLWMM-RPBOFIJWSA-N	608.721	1.854	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1	16050358	CDERZESWMQHRGX-NRFANRHFSA-N	520.629	1.626	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1	22609790	DRZWPLDVOKMIRR-JOCHJYFZSA-N	530.025	1.835	0	40	KDAB	
COc1c2cc(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCC[C@H](O)CCc1ccc(O)c-2c1	67911623	NPSYWDNXSMBWKP-KUKUFDJQSA-N	520.575	1.275	0	40	KDAB	biogenic,in-vitro
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1	226081194	NGIZKHXRQHBOMI-UHFFFAOYSA-N	509.650	1.807	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	253505559	KXHCYYSIAXMSPA-BZSRWJMRSA-N	869.055	1.866	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	256119758	VNONINPVFQTJOC-MBTLSSQPSA-N	869.055	1.242	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]45C)[C@]4(C)C[C@@H](C)[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	1529054647	ODVSKBPWRRQPNN-FRPDGVFQSA-N	801.024	1.215	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	8918303	YTUKMTMUFQONEC-JMQGSBJISA-N	525.602	1.437	0	40	KDAB	biogenic
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)o2)c1	12530152	DVQDSAGFIYAGQF-OAHLLOKOSA-N	502.640	1.505	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(I)cc1	96022555	JJOVPOMGAIBSLV-BZSNNMDCSA-N	535.287	1.588	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21	100876542	TUECVDOKNFSHKO-MRCUWXFGSA-N	511.603	1.271	0	40	KDAB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc(OC(=O)C[C@H]4SC(=O)NC4=O)cc2)c2sc(=O)[nH]c2S[C@@H]31	101174730	UHDMFVBATFETCL-XZSQJJQESA-N	615.667	1.641	0	40	KDAB	
CCS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc21	224389761	CPBWZQFVDSPUMB-QHCPKHFHSA-N	537.660	1.974	0	40	KDAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1	225470795	ZDWVHVBZHZUHGT-UHFFFAOYSA-N	523.633	1.756	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	245266214	JFXMZRLCBGFDRB-XRTSLUGZSA-N	501.488	1.653	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(S(=O)(=O)c3cc(C)c(C)cc3C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1C	575424691	VLMUEQPUKCAXET-NEWJYFPISA-N	630.832	1.564	0	40	KDAB	
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	9430331	DJEGDWJOWDTDTF-AJTFCVKESA-N	506.559	1.425	0	40	KDAB	
CC1(C)O[C@@H]2[C@@H](COC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	12653876	NCRHFKAHKVXKCU-MIGBRYPXSA-N	515.519	1.299	0	40	KDAB	biogenic
COc1cc(C(=O)NCCCN2CCCCC2)ccc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	70664544	JBFGPMHGXURSSQ-IXMSMLDRSA-N	622.668	1.763	0	40	KDAB	biogenic
COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)c1	95568216	PYXNYVWZGQXFGK-VWLOTQADSA-N	561.657	1.843	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@H]5[C@@H]4C[C@H](O)[C@]3(O)C2)[C@@H](O)[C@@H](O)[C@H]1O	118924810	DVTBKGKMSDFCAF-WLNVGOFQSA-N	536.662	1.427	0	40	KDAB	
CC[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	163996833	CXIREXDXJKLCIO-NSOVKSMOSA-N	648.713	1.857	0	40	KDAB	
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	253617068	FPSVPAKQFLQRFE-BJVYLUOESA-N	752.675	1.257	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3C[C@]4(C)[C@@H](C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	257451614	JBGYSAVRIDZNKA-ROKMZMASSA-N	801.024	1.359	0	40	KDAB	endogenous,in-man
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6546866	FASXFYNYHLUBSH-GOSISDBHSA-N	517.589	1.962	0	40	KDAB	
COc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)Nc3cccc(F)c3)[C@@H](O)[C@H]2O)CC1	8627161	PWMFRLMVTUWHGM-SGKWCMOWSA-N	502.543	1.184	0	40	KDAB	biogenic,in-vitro
COC(=O)Cn1c(=O)c(C(=O)COC(=O)/C=C/c2ccccc2Cl)c(N)n(Cc2ccccc2)c1=O	13057754	HQNJJEKNXONMDJ-VAWYXSNFSA-N	511.918	1.906	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(C)c(C)c(=O)oc2c1	15954473	KXINCAOQEWAXDE-WINIVTDRSA-N	513.591	1.483	0	40	KDAB	biogenic
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccc(Cl)cc21	38850523	AWWJBCMCRGSCJL-IBGZPJMESA-N	515.997	1.527	0	40	KDAB	
COc1ccc([C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)n(C)c(=O)c3c2)N2CCCCC2)cc1OC	55104326	PJSXBUNHEIKCFJ-FQEVSTJZSA-N	502.593	1.750	0	40	KDAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@H](O)[C@@H]1O	102805676	IQPQUCSPCDSVLE-QFOGTRJFSA-N	629.615	1.874	0	40	KDAB	biogenic
CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	105102986	YJJMWIGHLXQIJG-SMIHKQSGSA-N	598.701	1.657	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](OC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	150396412	KQPACFUEGAAHNG-KAOZHZNZSA-N	669.721	1.904	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)n1	216297122	SEAKJRXAMCTLPO-UHFFFAOYSA-N	504.594	1.837	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	584578864	BVDGQVAUJNUPGW-LDFFSTKASA-N	646.642	1.058	0	40	KDAB	
CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC1=O	643567238	WCELTLOQBDULPF-GGAORHGYSA-N	506.603	1.766	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@H](NC(C)=O)CC2	1075950135	IGDRBOZJSYPRRZ-FYINFDKHSA-N	573.668	1.967	0	40	KDAB	biogenic
C/C(=C\CC/C=C(\C)CC[C@@H]1O[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]1(C)O)CC[C@@H]1O[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]1(C)O	1772591514	CLDUAPYOOGANAK-ROZGATEESA-N	835.038	1.007	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6546685	QLKVDOKKJAARGN-HXUWFJFHSA-N	543.533	1.759	0	40	KDAB	
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	67890433	GASRNXZIAAUGGF-WZYRSQIMSA-N	529.581	1.604	0	40	KDAB	biogenic,in-vitro
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)CC2)cc1	95570363	LAAGVWVMDQNIGF-OALUTQOASA-N	549.671	1.834	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877511	URJDQUSJWWUNTP-UFFQQSBUSA-N	596.709	1.452	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575251	GDZJPAKEKJDVRZ-PJKILVJMSA-N	564.617	1.451	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCOCC1	224381174	PRIJOGMJDIZIBR-UHFFFAOYSA-N	567.686	1.700	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2CCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)C[C@@]2(C)O)n(C)c1=O	257255968	KJPFVCVLBWVALN-MZNJEOGPSA-N	547.538	1.807	0	40	KDAB	
O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)OCC(=O)c1ccc(Br)cc1	408998083	JXORCEIQNONUFJ-UHFFFAOYSA-N	520.336	1.334	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1	409028801	STKQDTGKIKNRLL-QHCPKHFHSA-N	549.671	1.552	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(CCOC)CC2)CC(=O)N(Cc2ccccc2)CC1=O	643570865	UOWADHOIPAQERP-SANMLTNESA-N	579.698	1.235	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC2	2037819032	NZRGTXJERAAKDZ-LDVJMBRRSA-N	591.750	1.766	0	40	KDAB	
CCOc1ccccc1C(=O)NC(=S)N1CCN(c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)CC1	9354445	VWMHIQMNDPIBLI-UHFFFAOYSA-N	510.576	1.745	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1F	20493382	ORUVTSXMMKREFU-UHFFFAOYSA-N	500.574	1.098	0	40	KDAB	
COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O	101174960	IHWRBHBKLZOBIG-YJXZIMIQSA-N	518.569	1.717	0	40	KDAB	
C[C@H]1CN(C2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl	618256610	JXDXZJWTZSNINH-AWEZNQCLSA-N	565.018	1.515	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C(C)=O)CC2)CC(=O)N(Cc2ccccc2)CC1=O	643570943	ZSCUJGWZVWHDGP-SANMLTNESA-N	577.682	1.526	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3OC)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1OC	1436629	OVECOZGWFQYZJK-HJDVLLJCSA-N	508.552	1.177	0	40	KDAB	
CC[C@@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1	16050384	NHUFBRORLCGDBJ-WBVHZDCISA-N	506.668	1.506	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(N)=O	85868001	LYDCRXQQBDNGOO-IXDWGBGWSA-N	775.901	1.181	0	40	KDAB	biogenic
O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)N1CCN(C(=O)CCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CC1	100771518	TWNWNLQUGGAJEQ-WTGUMLROSA-N	565.454	1.473	0	40	KDAB	
CCCn1c(N)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c(=O)[nH]c1=O	103089254	XLHUPZUBFASNBB-UHFFFAOYSA-N	530.559	1.402	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	150668675	RPBOFHGWCDGAEG-OIOUIRQFSA-N	727.690	1.751	0	40	KDAB	
O=C(CNC(=O)[C@H](COP(=O)(O)O)NC(=O)CCc1c[nH]c2ccccc12)NCCCCc1ccccc1	1774020771	TYEYIJQDNULZJQ-QHCPKHFHSA-N	544.545	1.950	0	40	KDAB	
CNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NCC(=O)NC	6002343	PZDXJGPVGQVPCU-GOTSBHOMSA-N	618.732	1.084	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1	9576549	OYLXOSGZXFWQMY-QFIPXVFZSA-N	500.577	1.389	0	40	KDAB	
C[C@H](OC(=O)OCCOCCOC(=O)O[C@H](C)C(=O)OC[C@@H]1CCCO1)C(=O)OC[C@@H]1CCCO1	17328007	IIMHTAVCLBQOLI-MHORFTMASA-N	506.501	1.531	0	40	KDAB	
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)OCCS(C)(=O)=O	98045069	KWWBDQJVWHHYRX-SFTDATJTSA-N	614.718	1.315	0	40	KDAB	
O=C(CCCCC(=O)Nc1cc(C2=NCCN2)cc([C@@H]2N=CCN2)c1)Nc1cc(C2=NCCN2)cc(C2=NCCN2)c1	104355500	DNWXQNNCTPVLGN-HHHXNRCGSA-N	568.686	1.546	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@@H](C(=O)O[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2c2cccs2)cc1	108843316	LJYLXPQLTRSJMR-AKCHCHLHSA-N	510.572	1.945	0	40	KDAB	
CC(=O)SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O	160496872	OJDCMPIKUQXWQK-UHFFFAOYSA-N	853.031	1.006	0	40	KDAB	
CCN1C[C@@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]32)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC	249693074	NNDHDYDFEDRMGH-YTYHLTCNSA-N	586.726	1.718	0	40	KDAB	biogenic,in-vitro
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O	252695069	ULGZDMOVFRHVEP-BLXDOUJPSA-N	733.937	1.786	0	40	KDAB	biogenic
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1	504705270	NEZKPXFSPBYPFW-VZWAGXQNSA-N	562.601	1.334	0	40	KDAB	biogenic
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br	575424525	TVSKRCLRIQTBSZ-WDEREUQCSA-N	520.221	1.402	0	40	KDAB	
NC(=O)CC[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566603	VCLJMMWHEQTVKV-AFESJLNVSA-N	637.709	1.313	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1	643570513	CTBSAOXUWAJZCX-ULGZCJNSSA-N	552.672	1.713	0	40	KDAB	
CN1CC2(CCN(C(=O)CN3CCc4ccccc4C3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037946848	DUTPTGQYPOFLNR-IZZNHLLZSA-N	521.658	1.859	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1OC	989089	KDIAUGYLPJSCSB-STIKNRRDSA-N	522.579	1.567	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1	12565330	UMXAUDCIVZSLAN-UHFFFAOYSA-N	514.560	1.367	0	40	KDAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC	13150597	JJIOJJIYRGYLFJ-OAQYLSRUSA-N	507.584	1.860	0	40	KDAB	
NCCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@H](O)[C@H](O)[C@@H]1O	70665870	FYZDYCPLLSEHER-OEBLJWNNSA-N	545.541	1.120	0	40	KDAB	
CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	105102982	YJJMWIGHLXQIJG-VXNXHJTFSA-N	598.701	1.657	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	245232577	YAQKKPAGOYYBGW-FTGRUMRQSA-N	596.630	1.229	0	40	KDAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc(C(=O)OC)c1	408625500	STPNCCYJJSTYRD-UHFFFAOYSA-N	506.533	1.607	0	40	KDAB	
O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NC(=O)[C@H]1COc2ccccc2O1	3348000	JGTOARXCRQMWMF-LJQANCHMSA-N	507.476	1.703	0	40	KDAB	
Cc1nc(C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)cs1	4221742	FJTDCSAAJSKQEU-NSHGMRRFSA-N	561.711	1.678	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC	8901479	PLVQOQXUMAOUQQ-CQSZACIVSA-N	501.565	1.099	0	40	KDAB	
COc1cccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	13135109	FGKOUVAHRNFMLI-ZDUSSCGKSA-N	504.594	1.869	0	40	KDAB	
CCCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	67337033	XFCDSAVORJBNCH-UHFFFAOYSA-N	532.667	1.540	0	40	KDAB	
CCN(C(=O)COC(=O)/C(=C\c1ccccc1)NC(C)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97994042	NLCFOCJRDIJVON-XSFVSMFZSA-N	505.531	1.240	0	40	KDAB	
CCc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224441295	LZOFORLLVBQLPF-UHFFFAOYSA-N	525.649	1.231	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)C[C@H](O)C[C@]2(C)O)n(C)c1=O	257282978	OWCVVTGLRDOTKA-DZQNVJDRSA-N	577.564	1.168	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2cc(OC)ccc2OC)c1	575420540	CMZWOPVLDSOQDS-QHCPKHFHSA-N	592.714	1.267	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C)c(C)c2)cc1C	575425157	YOLYUZWMFYKRPL-YADHBBJMSA-N	530.690	1.047	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572991	LEJGFZPYWFGXRV-AZEGXWOKSA-N	641.741	1.312	0	40	KDAB	
COCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643576563	ROAIXNBYRRMWQE-KCHLEUMXSA-N	637.778	1.827	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CC(N)=O)C(=O)O)C3=O	1775964095	RNPMSPOQHSSJPQ-HOYUTLGRSA-N	516.591	1.554	0	40	KDAB	biogenic,in-vitro
COCCCN(C(=S)NC(=O)[C@@]1(C)CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3306790	RCKPYLMXQJBGEV-HXUWFJFHSA-N	514.435	1.995	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1C	8684553	CJWNXTDUMNCRPG-JOCHJYFZSA-N	500.577	1.307	0	40	KDAB	aggregator
CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)O	12887587	WHOAUWXAUMPDLA-LMNJBCLMSA-N	532.638	1.931	0	40	KDAB	biogenic
O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2	15623827	KGWFNMHTJAHJSD-INIZCTEOSA-N	507.496	1.642	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	20031997	FVDGBOVJWHWZCQ-FQEVSTJZSA-N	507.634	1.425	0	40	KDAB	
O=C(N[C@@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccc(F)cc1)c1ccco1	36625541	WXDYYPDGVBVMJE-HXUWFJFHSA-N	505.549	1.995	0	40	KDAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100872939	AMTBFCRQAFDNIY-PHLKBOCDSA-N	568.699	1.536	0	40	KDAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	102099261	QSLDVYOLXVLPKV-ZEQRLZLVSA-N	554.600	1.965	0	40	KDAB	
COc1ccc(CCNC(=O)N[C@@H]2[C@H](NC(=O)NCCc3ccc(OC)c(OC)c3)N(C)C(=O)N2C)cc1OC	103556132	QPOOCUOLGDTQNW-PSWAGMNNSA-N	558.636	1.754	0	40	KDAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222853742	DZZDDVISMPHSDF-SFHVURJKSA-N	507.584	1.779	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1	224441609	HGGTUHWBSKTFFU-UHFFFAOYSA-N	532.040	1.322	0	40	KDAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)cc1	408667765	KPNLXIFFVYSAKL-QGZVFWFLSA-N	527.530	1.946	0	40	KDAB	
O=C(CN1CCCCCCOc2ccccc2N(CC(=O)NCCCO)c2cncc(c2)C1=O)NCCCO	643585273	UUABBBPDZIYJJC-UHFFFAOYSA-N	541.649	1.612	0	40	KDAB	
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	3304041	ZANJBQDAPGCARZ-UHFFFAOYSA-N	508.508	1.798	0	40	KDAB	
COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCC1	9358182	VGEUTDRVGKPAOX-FNAHDJPLSA-N	530.659	1.378	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	59852653	NMAOWFMODWOAAH-UHFFFAOYSA-N	537.660	1.897	0	40	KDAB	
C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O	70665724	GPMQUFLHTOTVNB-WMQCIHAUSA-N	605.689	1.534	0	40	KDAB	biogenic
CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)CCC(=O)O)C2=O)cc1	97950333	USTXHSQPSMHCTD-OAQYLSRUSA-N	531.587	1.691	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O	103119331	SSDGGIMGRGKXTQ-QHCPKHFHSA-N	534.616	1.500	0	40	KDAB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	106362123	IKYZZALDZYIJLW-YSNUVBERSA-N	512.556	1.353	0	40	KDAB	biogenic
O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1ccc(OC(=O)C[C@H]2SC(=O)NC2=O)cc1	245225848	UHDMFVBATFETCL-CSSZUAEPSA-N	615.667	1.641	0	40	KDAB	
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408676371	CYXOWPHKFHBQNI-JIEPXIEKSA-N	521.614	1.435	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccccc2-c2nc(C)no2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8432876	KKACODFHYNYKGD-VZWAGXQNSA-N	506.464	1.507	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]c1=O	23078611	CWWQGAJVCCBRMW-UHFFFAOYSA-N	507.613	1.387	0	40	KDAB	
O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2	33357748	SFZGXASEEIRIEJ-UHFFFAOYSA-N	531.550	1.716	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(C)CC4)C[C@H]3C(=O)NC[C@H]1O2	253396506	DWRVBENPSVLPJU-HLIDPEAVSA-N	556.704	1.969	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@@]12C	257468852	KWRQPASKWCJCPI-MYZQZGPNSA-N	770.998	1.759	0	40	KDAB	endogenous,in-man
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572514	CWJBFGGKGUJPGU-PVLHBDHTSA-N	662.788	1.547	0	40	KDAB	
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(CC(C)C)c(=O)n(C)c4=O)cc3C2=O)cc1	3433431	PXOZGBRPFPRKSS-UHFFFAOYSA-N	561.551	1.584	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=O)Nc2ccccc2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	8402436	TWTMNPAFAURLLC-WKWVNEEDSA-N	592.339	1.496	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	13636451	XYIJLIYBSRJAKU-QHCPKHFHSA-N	527.025	1.776	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34876639	BJNLCTXPPRPFFK-JAZQRGJZSA-N	517.940	1.676	0	40	KDAB	
CCOC(=O)C1CCN([C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2CCOC)CC1	57608878	RKAFCVMSVZFLQA-OAQYLSRUSA-N	500.556	1.543	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	70665108	PHWAJZBFJSWBIQ-PCCBWWKXSA-N	636.699	1.455	0	40	KDAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Br)cn4)[C@@H]3SC2)s1	97947897	KFVBXQPEIFIBTM-NVNFVWPKSA-N	545.466	1.897	0	40	KDAB	
O=C(N[C@H]1CCS(=O)(=O)C1)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1	98000200	NPSOXMZJKHYXEE-HOTGVXAUSA-N	572.639	1.070	0	40	KDAB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	102984041	WVDFEGSYACOWBV-INIZCTEOSA-N	549.602	1.455	0	40	KDAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccn4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253403665	QIIHPTJAQLJGDO-DXLYGPJMSA-N	591.709	1.766	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2CC[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)c1	257243477	IHEWYUZJXPOBRH-UKAVVXHISA-N	518.567	1.098	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O	257507356	OVMSOCFBDVBLFW-WPACCNBMSA-N	586.634	1.653	0	40	KDAB	
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(C)c1=O	2639586	GJESNCJFCRXCIA-UHFFFAOYSA-N	528.587	1.650	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1OC	15967558	YFTHXKRDOWJZIO-CPVJYWEUSA-N	526.977	1.504	0	40	KDAB	biogenic
CN(C)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	16043539	VKDPMHHAQQKVOY-UHFFFAOYSA-N	523.633	1.698	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1C	20031848	JYIXQPBDKYSBLZ-UHFFFAOYSA-N	509.650	1.971	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3OC)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1OC	35387304	KDIAUGYLPJSCSB-IAERKFLBSA-N	522.579	1.567	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@H]5[C@@H]4C[C@H](O)[C@]3(O)C2)[C@@H](O)[C@@H](O)[C@H]1O	118924806	DVTBKGKMSDFCAF-OCQRKIPYSA-N	536.662	1.427	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000400	DVUHIYFVLVFKRW-CNYNBULQSA-N	801.024	1.120	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1	20802857	ARPCVUWOZSIANT-LJQANCHMSA-N	515.412	1.322	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O	38140303	KLAQOYIJQSBJDR-VWLOTQADSA-N	530.603	1.902	0	40	KDAB	
COc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)c1	70705747	SQAOLRBNCHCBJD-QPTUXGOLSA-N	538.626	1.654	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCOCCOCCOCC2)c2ccccc2)cc1	141918383	DTAAMJRADXCWTD-AREMUKBSSA-N	550.674	1.940	0	40	KDAB	
CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O	224465544	YZZAOAVFUMFCTN-UHFFFAOYSA-N	511.622	1.302	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1	260719621	KPGYANAJXHKOLM-BJKOFHAPSA-N	517.648	1.822	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3cccc(F)c3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548890249	NPISHEJEAUDGKN-PKTZIBPZSA-N	584.674	1.679	0	40	KDAB	
CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N	19941063	NUYYUQCLQRZKSQ-GOSISDBHSA-N	523.059	1.908	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	70691854	KISYRRMFQYIIFQ-AGAUEGNUSA-N	536.662	1.573	0	40	KDAB	biogenic
CC(C)C[C@@H]1C(=O)NCC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O	82195402	BUVMDQSPTWIZGE-NYDDOVQGSA-N	670.811	1.458	0	40	KDAB	
Cc1cc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1Br	100999608	NPTJWYXLZNSFSE-UHFFFAOYSA-N	527.416	1.958	0	40	KDAB	
Cc1ccc(N(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1	102938588	TUDCMSQCURFRLS-UHFFFAOYSA-N	614.702	1.919	0	40	KDAB	
COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1O	524730844	ZGIUXHIKUDXKPU-HHXXYDBFSA-N	507.543	1.848	0	40	KDAB	biogenic
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@H](C)N)CCCCOC[C@@H](O)[C@H]1O	643551734	IXHZWMBEWRBUER-GDKQOWJMSA-N	511.635	1.407	0	40	KDAB	
COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	2060993682	NMDFCFOQBAHNPV-CZOVSXFNSA-N	810.975	1.647	0	40	KDAB	
CCn1c(COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21	13128489	QHZQHQYCAGEPQB-CQSZACIVSA-N	519.605	1.477	0	40	KDAB	
CCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(=O)[nH]c1=O	13128912	YPWCGWJVCNFEAD-UHFFFAOYSA-N	512.544	1.199	0	40	KDAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15957277	BXEZXMPVDQZFPE-SJFBNKFASA-N	510.934	1.563	0	40	KDAB	biogenic
CN(C)S(=O)(=O)c1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	48278870	QNYPNEOVKRIIJN-UHFFFAOYSA-N	511.622	1.093	0	40	KDAB	
CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O	70687314	WITOADOAFKGKPT-PMACEKPBSA-N	545.749	1.956	0	40	KDAB	biogenic
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2	100293998	NTKOZFWNJCSNBZ-KXQOOQHDSA-N	543.598	1.966	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1	260888478	OUGHXYPSYJGPIM-SFHVURJKSA-N	525.649	1.541	0	40	KDAB	
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408686757	SSSLRYGEJLZKRM-JIEPXIEKSA-N	525.646	1.883	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(CCCCCCN3C(=O)[C@H]4[C@H](C)N[C@]5(C(=O)N(C)c6ccccc65)[C@@H]4C3=O)C(=O)[C@H]12	585139066	NGQVTJJPTHNQTI-GSHXCFIISA-N	652.752	1.476	0	40	KDAB	
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643565280	FQWDCGCHDANPCY-OZXSUGGESA-N	554.644	1.761	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	2040555670	YFGQJKBUXPKSAW-NWRPLLBCSA-N	969.128	1.642	0	40	KDAB	biogenic
CCOC(=O)CNC(=O)[C@H](c1cc(OC)ccc1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6546931	NKAXCQUDYGXIKT-QFIPXVFZSA-N	571.612	1.917	0	40	KDAB	
NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1	18286682	JGTKPJZNVORVPL-QGZVFWFLSA-N	510.376	1.729	0	40	KDAB	
Cn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(N)n(Cc2ccccc2)c1=O	35973873	LPOWUBVJWJGPRT-UHFFFAOYSA-N	566.467	1.674	0	40	KDAB	
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)co1)CC2	44922099	QCYKSNHQJMHYBS-SFHVURJKSA-N	506.577	1.240	0	40	KDAB	
CO[S@](=O)(=S)CCNC(=O)[C@H](CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	72131087	WWCPISCDFZLLAA-HUZNEMMWSA-N	743.012	1.989	0	40	KDAB	
Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N3CCC[C@H]3C(N)=O)c2)cc1	85221228	ITBMCKDELXTYKM-OALUTQOASA-N	505.597	1.341	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	224425981	ZJVXNJAOCLVXLQ-UHFFFAOYSA-N	537.660	1.691	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCCNC1=O	643567798	WXDRZBMDQFPDFM-VXKWHMMOSA-N	517.671	1.453	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N2CCC[C@H]2C(=O)N1	643571873	LYKDTBFVBUACJW-VABKMULXSA-N	536.633	1.238	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2)c(C)c1	38141366	FCVOOHZIMKNLDL-UHFFFAOYSA-N	548.710	1.387	0	40	KDAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	70665506	IQPQUCSPCDSVLE-IYSZFFRFSA-N	629.615	1.874	0	40	KDAB	
CN(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)S(C)(=O)=O	223332543	FBKXVQOYTZINBN-XMMPIXPASA-N	502.637	1.096	0	40	KDAB	
O=C(CN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)CN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	575420626	CYQMMRNLTIBWQL-PSWAGMNNSA-N	504.674	1.934	0	40	KDAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1	575426389	SLHHVQJYCRMSQF-DNQXCXABSA-N	696.782	1.775	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N1	643573293	SIFULVYCKRGCDI-KNCQYWRWSA-N	673.815	1.650	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574889	YSFZDMJKYGPXQU-NFWIRQETSA-N	645.761	1.297	0	40	KDAB	
CN1CCN(S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1	6061568	LUNRXDIMCJRBAR-UHFFFAOYSA-N	510.707	1.710	0	40	KDAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	20030924	RCMBQPZFNKRSKL-UHFFFAOYSA-N	517.629	1.798	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	59838653	DUKUTLDFULZIRX-NRFANRHFSA-N	551.687	1.742	0	40	KDAB	
Cc1c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(=O)oc2c(C)c(O)ccc12	70704873	LQBFLYKFUMMQIK-SFTDATJTSA-N	552.584	1.403	0	40	KDAB	biogenic
CNC(=S)N(Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O	101534058	FZBUTPBYQMMWIV-INIZCTEOSA-N	558.423	1.577	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	245224565	YURJSTAIMNSZAE-XFWSJBIESA-N	801.024	1.120	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2	408702776	CVMGKOFDTMJHAD-UHFFFAOYSA-N	525.605	1.621	0	40	KDAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	4018300	NMDALIGPSXAUAQ-KKUQBAQOSA-N	638.766	1.099	0	40	KDAB	
CN(C)c1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)cc1	4147824	QBLPMDKTFHIPAD-MYDTUXCISA-N	502.535	1.854	0	40	KDAB	biogenic,in-vitro
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CCOc2ccccc2C)c(N)n(Cc2ccccc2)c1=O	13096944	MZAZMIUQTOMGOO-UHFFFAOYSA-N	509.515	1.317	0	40	KDAB	
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2=O)cc1	13129192	UGUXGLRAXHRQRY-NRFANRHFSA-N	513.616	1.987	0	40	KDAB	
CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1)S(C)(=O)=O	20456556	IIHUABAKBLQERA-UHFFFAOYSA-N	505.578	1.686	0	40	KDAB	
CN1C(=O)/C(=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)c2ccccc21	97949572	SVXIMYXNJTVBOR-ZCJNLIETSA-N	536.617	1.965	0	40	KDAB	
Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C	102920922	VKFZVCPRFHUBKS-UHFFFAOYSA-N	532.648	1.448	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)NCCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1cc(Cl)ccc1C	575426698	YIBVGCCVWPKSMK-ZWKOTPCHSA-N	571.526	1.737	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC2(CCCCC2)C(=O)N[C@H](C(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643567949	GASQGZOZPRALQH-WFIHMLKPSA-N	612.772	1.244	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643568694	DCFKJIQRLVIIBS-JQOLTRQRSA-N	550.656	1.779	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(Cc3nccs3)C[C@H]21	1534613060	OHJHHHJMWUBRET-ZVDOUQERSA-N	501.634	1.422	0	40	KDAB	
CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1	4277914	DSFXRUZLRFEWMG-LEWJYISDSA-N	507.657	1.420	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	20492893	KCACMWSDNGUOLD-UHFFFAOYSA-N	502.590	1.773	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	140021217	YZRWRJRJGHESSG-UHFFFAOYSA-N	530.600	1.107	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	253529638	JDQAJUDONPAIME-AACQMNLLSA-N	955.145	1.916	0	40	KDAB	biogenic,in-vitro
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCN)C(C)(C)C)cc1	1775962980	NGGGSSRQKFKPSX-XQBPLPMBSA-N	501.653	1.576	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(C[C@@H]2CCCO2)CCS3(=O)=O)CC1	12321903	UULPDBZRAKCXMF-ZDUSSCGKSA-N	505.515	1.791	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC	12467526	KMHPBDOWMFMIEI-IBGZPJMESA-N	517.564	1.894	0	40	KDAB	
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1	15910188	RCKAVAPEPSQNFP-UHFFFAOYSA-N	503.558	1.608	0	40	KDAB	
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCN(S(=O)(=O)c4cc5c(cc4Cl)n(C)c(=O)n5C)CC3)c(Cl)cc21	98008997	QUHXMYVNYOERAW-UHFFFAOYSA-N	617.537	1.460	0	40	KDAB	
COc1ccc(CCNC(=O)N[C@H]2[C@H](NC(=O)NCCc3ccc(OC)c(OC)c3)N(C)C(=O)N2C)cc1OC	103556135	QPOOCUOLGDTQNW-DNQXCXABSA-N	558.636	1.754	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@@H](Nc3ccc(C)cc3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	150425403	ASCUXPQGEXGEMJ-GPLGTHOPSA-N	725.697	1.027	0	40	KDAB	
CCOC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)COC(=O)CCc1ccc(OCC(=O)O)cc1	248303970	LKYTVXSBEGAMBV-NRFANRHFSA-N	531.514	1.380	0	40	KDAB	
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	253617070	FPSVPAKQFLQRFE-UMHIMXTASA-N	752.675	1.257	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2O)[C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@H](OC(=O)/C=C/c4ccccc4)[C@H](C)CO2)[C@@]32CO2)O[C@H](C)[C@@H]1O	254047122	VOTNXJVGRXZYOA-GCFFGMQGSA-N	804.839	1.313	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@@]12C	257468851	KWRQPASKWCJCPI-IFMJZKENSA-N	770.998	1.759	0	40	KDAB	endogenous,in-man
COc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)[C@@H](C)O)cc1	2648777	SFTZKTMRGJIBQL-MRRFBWAASA-N	521.617	1.889	0	40	KDAB	
COc1ccc(C[C@H](NC(=O)C2=C[C@@H](NC(=O)Nc3ccccc3Br)[C@@H](O)[C@H](O)C2)C(N)=O)cc1	4200833	FCVAQMRRKKKANO-PLACYPQZSA-N	547.406	1.213	0	40	KDAB	biogenic,in-vitro
CC1=C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C/C=C/[C@H]([C@@H](C)O)OC[C@H](O)[C@H](C)CC(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	103942374	PYYBXMVTBWYBDY-DTEWXQRCSA-N	548.629	1.364	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1	222570070	WAWFICAZXZTFNV-MRXNPFEDSA-N	511.622	1.960	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccc5c(c4)OCO5)NC3=O)O2)cn1	514287525	IKALZCVCSPXWJT-WYVRSNQCSA-N	603.676	1.996	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1	1815600	BLWFDBNTGVCNJS-GUBQRQEFSA-N	568.604	1.369	0	40	KDAB	
COCCN(C(=O)COC(=O)CCOc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13004001	QCUHAOPQJXMRGV-UHFFFAOYSA-N	510.547	1.467	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCO2	13636462	XACYBTVTKLNVFN-HXUWFJFHSA-N	513.982	1.547	0	40	KDAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1	20032876	JBCXMDPCXZUONJ-UHFFFAOYSA-N	504.030	1.974	0	40	KDAB	
CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3cccc(NC(C)=O)c3)CC2)c1	23079192	LHHWJOYQZZYLPT-UHFFFAOYSA-N	524.530	1.288	0	40	KDAB	
COc1cc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC	70670219	UPHXAJCLXFCSCV-MOPGFXCFSA-N	554.669	1.738	0	40	KDAB	biogenic
COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(C)cc5)c4n3)CC2)ccc1-n1cnnn1	100445921	YNKWBUNGMQUGAO-UHFFFAOYSA-N	562.616	1.836	0	40	KDAB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1cc(F)ccc1C(=O)OCc1nc3c(c(=O)[nH]c(=O)n3CCCC)n1C)n2C	102768831	YPAWFPKZHDBDDR-UHFFFAOYSA-N	623.646	1.868	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	108474241	AQKPXOWLUQPPRH-ASXXYDDASA-N	531.514	1.661	0	40	KDAB	
N=C(N)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1	206719840	BKTRHCGXWUYGAQ-LOSJGSFVSA-N	551.669	1.185	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1OC	260890765	RUCJFZJIKZPKJO-GOSISDBHSA-N	555.675	1.838	0	40	KDAB	
CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)N3CCOCC3)c12	409140401	DZLCKUZPJKANRJ-STZFKDTASA-N	526.615	1.958	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1	575422934	DNNKDIYNYRDEEW-JVSBHGNQSA-N	615.560	1.020	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)N(C)CC(=O)N1	643579365	UWLNFIXSXTWFFB-FCHUYYIVSA-N	515.655	1.159	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3cccc(F)c3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548889012	DTYPZTLXODNYDZ-YADHBBJMSA-N	613.672	1.711	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc6c(c5)OCO6)n4)CO[C@H]23)cc1	5413751	OLQZUEKMPDQCSW-UWXQAFAOSA-N	539.570	1.756	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	8767068	ZVDXJYALDKTVHK-JRXNCPAPSA-N	536.610	1.872	0	40	KDAB	
Nc1cc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(Cl)c(N)c3)CC2)ccc1Cl	13011290	SLTZAOYTKIYTLK-UHFFFAOYSA-N	509.346	1.842	0	40	KDAB	
COc1ccc([C@@H](c2c(N)n(C)c(=O)n(C)c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	13134444	QWNQEVLGLNFQFA-QFIPXVFZSA-N	513.620	1.079	0	40	KDAB	
CC1(C)O[C@H]2[C@@H](n3ccc(=O)[nH]c3=O)O[C@H](COC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)[C@H]2O1	33904161	NCRHFKAHKVXKCU-VRRQFBSDSA-N	515.519	1.299	0	40	KDAB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1	67337713	NKYGQWFNADXPOM-QGZVFWFLSA-N	524.043	2.000	0	40	KDAB	
C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F	71788510	KFYNHTYFOGEBHQ-MQQADFIWSA-N	615.634	1.496	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](OC[C@H]2O[C@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	97986414	KQPACFUEGAAHNG-DEQCKYLGSA-N	669.721	1.904	0	40	KDAB	
O=C1c2ccccc2C(=O)N1CCN1CCOCCOCCN(CCN2C(=O)c3ccccc3C2=O)CCOCCOCC1	97994397	BPARITITSJKTMM-UHFFFAOYSA-N	608.692	1.263	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575228	YTBVPOCZQCDXAS-QJRASEFVSA-N	564.617	1.451	0	40	KDAB	
C=CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)N[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@@H]3[C@H](O)C[C@@H]2C1	169712129	IINOCRWBKCMWPD-YRTZDFFDSA-N	623.784	1.017	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)CC2)cc1	225498386	RQCPYZNIIQWNJY-UHFFFAOYSA-N	553.659	1.764	0	40	KDAB	
CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H]([C@](C)(O)[C@H](O)CC)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H]2C)C[C@@]1(C)OC	255980535	JEBMHQVCOAWRCT-VAFVHAHPSA-N	806.092	1.928	0	40	KDAB	
CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)C3CCN(CCC(N)=O)CC3)CCO2)C1=O	643555795	CBRMFJDZOXBSLQ-NDEPHWFRSA-N	514.667	1.825	0	40	KDAB	
CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2C1	643576261	UPBZHADWBOMQET-UHFFFAOYSA-N	508.685	1.931	0	40	KDAB	
CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4cccnc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1	1534611611	BAENPKMLSLFTRD-GSLIJJQTSA-N	543.690	1.024	0	40	KDAB	
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](Nc2ncnc3[nH]cnc23)O[C@@H]1[C@H](O)CO	4758203	YBZRLMLGUBIIDN-WCGVXQKYSA-N	621.780	1.503	0	40	KDAB	in-vitro
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1	13097491	MPIJNXCSWVVJHH-NQIIRXRSSA-N	511.597	1.763	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1)n2CC	15280265	BSVYXTGZTCEZHM-HNNXBMFYSA-N	502.684	1.824	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	15956987	BWOSPXZFPDQYRC-WYMULPSZSA-N	526.977	1.504	0	40	KDAB	biogenic
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59838192	SOSJVYQSJDJRRI-OAHLLOKOSA-N	532.040	1.353	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C[C@H](C)O1	96019668	QCFJKPINGGVYEU-NWLBTCKQSA-N	594.643	1.187	0	40	KDAB	
Cc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)cc1Br	98045684	JTAVMWGYKAFSOQ-BLLLJJGKSA-N	525.410	1.426	0	40	KDAB	
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(C(F)(F)F)cc3)N1)[C@@H](O)[C@H]2O	225445335	GQPDWDYPCPSUMV-HDWXRUPBSA-N	668.660	1.665	0	40	KDAB	
COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	260888115	HOBYMPOCLUCLHD-LJQANCHMSA-N	555.675	1.374	0	40	KDAB	
CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)cc1	408580446	QRMSTTPICQXNPM-HXUWFJFHSA-N	510.591	1.904	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	575426594	WNJLDPBPWUKLNP-BJKOFHAPSA-N	582.678	1.858	0	40	KDAB	
COCCOCC(=O)OCCOCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COCCOC(=O)COCCOC)c(OC)cc3c2=O)cc1	2060997155	MRELEHWCULKASK-UHFFFAOYSA-N	720.677	1.725	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100057709	UXRGMYFQEBYUQU-JTYPQFNSSA-N	505.476	1.136	0	40	KDAB	in-vitro
NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	136876329	IMXIPLSGEPZDIJ-MZKRTTBSSA-N	535.626	1.874	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2	224374800	QOHASTIZCWGNTJ-UHFFFAOYSA-N	539.632	1.551	0	40	KDAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCC(=O)O	408548986	OTWFYXBGLYCVTD-VZUCSPMQSA-N	504.233	1.219	0	40	KDAB	
COc1cc([C@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2oc(C)cc(=O)c2O)ccc1O	524729568	YRBBLBISGQWIJT-INIZCTEOSA-N	507.499	1.710	0	40	KDAB	biogenic
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC1=O	643566092	OZKORSNLRWPETQ-GOTSBHOMSA-N	529.682	1.597	0	40	KDAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cncnc1)CC2	1548889609	IGRFRIZUTMSTRC-RPWUZVMVSA-N	564.668	1.596	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccccc4Cl)CC3)nc21	2338038	SABUKEOFSIQPPZ-UHFFFAOYSA-N	500.968	2.000	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3977874	VJJPUSNTGOMMGY-LMSDHMSKSA-N	588.562	1.339	0	40	KDAB	biogenic,in-man
O=C(O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	9329424	QMFDCLABDOMQOL-GOTSBHOMSA-N	518.570	1.788	0	40	KDAB	biogenic
COc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1OC	16752403	ATHVOVLUFADGSV-ZDUSSCGKSA-N	503.986	1.380	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@@H]2SC1	33356845	KXYQZNHPBBGJLK-CLAHSXSESA-N	527.275	1.117	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21	100876764	HKXFXOOYRKHLSQ-OIKHPULZSA-N	566.683	1.827	0	40	KDAB	
Cc1c(CC(=O)NCC(=O)N[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)C(C)C)c(=O)oc2cc(O)ccc12	101379203	CDWSCVRLKDBMQF-SRGWNRLKSA-N	529.590	1.614	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224485622	KBMRNXFKODURSU-HSZRJFAPSA-N	555.675	1.456	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)COc4ccc5c(c4)OCO5)CC3)c3c1OCO3)CCN(C)C2	524730527	MBQPEJPWRXBBTC-UHFFFAOYSA-N	547.586	1.052	0	40	KDAB	biogenic
CO[C@H]1CN(C(C)=O)CCCN(Cc2ccc(OCCn3ccnc3C)cc2)CCCCOC[C@H](O)[C@@H]1O	643585218	TUFXQPUAHULTEX-KCHLEUMXSA-N	532.682	1.858	0	40	KDAB	
O=C(CSC[C@@H](O)[C@H](O)CSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2	15109005	HDDCPASALXCSCE-HZPDHXFCSA-N	508.574	1.909	0	40	KDAB	
COc1cccc(NC(=O)CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c1	32966455	LWDDDTHUMMBWDR-UHFFFAOYSA-N	529.619	1.633	0	40	KDAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)[C@@H]1O	70691866	LELZHYIYODBMGR-HDWNPKPOSA-N	566.688	1.053	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1	97948364	WOZLUSODATVCBH-PXAZEXFGSA-N	567.340	1.844	0	40	KDAB	
O=C(CSc1nnc2n1CCCCC2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103067142	HECOLXYOLALBHO-UHFFFAOYSA-N	536.680	1.593	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	169619684	ULGZDMOVFRHVEP-ALKLWIEUSA-N	733.937	1.786	0	40	KDAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(C)c1	224440951	NACHVAGBWDKLFY-UHFFFAOYSA-N	525.649	1.286	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(C)=O	224492931	CVPFJZQIORJIOY-UHFFFAOYSA-N	513.594	1.032	0	40	KDAB	
COc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1	225843258	HXOCHNVPQGQYAM-INIZCTEOSA-N	527.621	1.518	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@H](OC)[C@@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	253388539	NXAZXMKMGPWXII-CUHVQFLWSA-N	699.842	1.586	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(N)=C(C)[C@@H](O)[C@@]1(C)O	253623261	IEEOVDVBJXYXAJ-ABHSPLETSA-N	732.953	1.813	0	40	KDAB	
C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	643573617	SODIYZCVFKJJGV-STQWGSIPSA-N	643.741	1.654	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1OC	12694948	AYAIAQIWLYJUBI-UHFFFAOYSA-N	509.606	1.390	0	40	KDAB	
CC1(C)[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@H]2S1(=O)=O	16025599	VTSDQSJBKBMGIY-NNWRFLSQSA-N	500.621	1.778	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCOCCOCCOCCOCCOCC2)cc1	39988440	LQXXIAJXXAGNLT-HSZRJFAPSA-N	514.641	1.073	0	40	KDAB	
Cc1ccc(OC[C@@H](O)Cn2c(NN3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1	57111108	SLZQBSNQVMHEAC-NRFANRHFSA-N	519.606	1.316	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](COc2ccc(C(=O)Cc3ccccn3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70665388	SMYUXOHXTSVMRU-VFHRMQJUSA-N	573.551	1.717	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	223252012	DYTWHWNZVXICNN-UHFFFAOYSA-N	510.638	1.199	0	40	KDAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1	409138130	ZAMCRTXLQGZADE-UZQMFHLOSA-N	512.588	1.832	0	40	KDAB	
CCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	504238375	RIXAWIIOMSMOQB-HFBCXCLPSA-N	578.644	1.934	0	40	KDAB	biogenic
COc1cc(CN(C)C[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585272884	NHPARNHBVLWVRC-AREMUKBSSA-N	500.644	1.335	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)CC1	643565544	INUJSVKPDQNNOP-RZFJZAQRSA-N	577.682	1.156	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@]2(O)[C@@H](O)[C@H](CO)O[C@H](O[C@@H]3C[C@@H]4[C@]5(CC[C@@]6(C)[C@@H]([C@]7(C)CC[C@H](C(C)(C)O)O7)[C@H](O)C[C@]46C)C[C@]54CCCC(C)(C)[C@H]34)[C@H]2O)OC[C@H](O)[C@H]1O	2060989897	LFJNPJBIDAQEHH-MVBRPXJSSA-N	827.018	1.644	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)[C@@H](C)CC	4177587	MACRWUZSSFLAMW-VGEQJFGGSA-N	585.702	1.852	0	40	KDAB	
COc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc(OC)c1OC	15934940	MOBVBTSGYOJGEN-UHFFFAOYSA-N	505.593	1.592	0	40	KDAB	
Cc1csc(=O)n1CCC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	15940509	YKFYKOVYEWFGTE-UHFFFAOYSA-N	515.592	1.321	0	40	KDAB	
CC(C)(O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1	77293601	XGXCRIIMIUNTCF-ARXROMJUSA-N	563.673	1.490	0	40	KDAB	in-vitro
CC(=O)N[C@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97142185	WSIIBQIRXPPYHU-DRJBRKBZSA-N	511.505	1.198	0	40	KDAB	
O=C1c2c(cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2O)O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@H]2c1ccc(O)cc1	253388337	MYIUHDZRMLFLNJ-HZPMZOGHSA-N	704.637	1.371	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]34C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O	253389058	VVWSVSOPOPDXMM-QAZVOZLDSA-N	941.118	1.825	0	40	KDAB	biogenic,in-vitro
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CCC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2	253399960	KERCRFBEZPJPBW-FEVSWUGISA-N	544.693	1.827	0	40	KDAB	
CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	260888279	KZYYATWEIIFENG-LJQANCHMSA-N	555.675	1.456	0	40	KDAB	
NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409027285	FQWAHXQVPMZCNC-JOCHJYFZSA-N	528.612	1.488	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC[C@@H]2COCCO2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643585213	SWHLNVLNCPHZNT-STXQHDJLSA-N	594.709	1.845	0	40	KDAB	
COCCCN(C(=S)NC(=O)[C@]1(C)CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3306787	RCKPYLMXQJBGEV-FQEVSTJZSA-N	514.435	1.995	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	70665378	ALFHONPOIOCTBA-HKTJVKLFSA-N	625.727	1.255	0	40	KDAB	biogenic
COc1ccnc(CSc2nc3cc(OC(F)F)ccc3n2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1OC	105853764	DEFATFFTNRHGJX-MQOOWTBDSA-N	543.501	1.407	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN2CCN(c3ccccc3)CC2)CCCCOC[C@@H](O)[C@H]1O	643586692	QJQWKVBABYRBMS-UIRWWBRLSA-N	562.752	1.448	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN(C)CCOc2ccccc2F)CCCCOC[C@@H](O)[C@H]1O	643586698	SEXKESZFFYZVDX-OCAOGGMISA-N	569.715	1.775	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6C[C@](C)(C(=O)O)CC(=O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	1534688760	LEEDBDNBNJDNMW-IYTDPCPUSA-N	955.101	1.005	0	40	KDAB	biogenic,in-vitro
COc1ccccc1N1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)CC1	20465521	APBAOXYHVDAKKB-WZYRSQIMSA-N	509.525	1.755	0	40	KDAB	biogenic,in-vitro
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	101377201	ZIGQPMDISQMIDN-HSZRJFAPSA-N	535.601	1.091	0	40	KDAB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	102984045	WVDFEGSYACOWBV-MRXNPFEDSA-N	549.602	1.455	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	253501112	YXSQSVWHKZZWDD-OKDMKKBZSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)NCCOc1cccc(C(=O)N[C@@H]2CC[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O)c1	257323890	WMGVIZRWOHRYAC-HNBVOPMISA-N	527.582	1.167	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@H](C)O[C@@H](C)C1	585139643	YGKNMQCWVJOQAC-WEGJGLSXSA-N	504.605	1.125	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568150	LOBDXLINNCFUJY-AFESJLNVSA-N	565.715	1.894	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OCCNC1=O	643568359	PWRWGCIFWHVQQM-XUZZJYLKSA-N	555.676	1.170	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573546	YBWZRWRFFXSVQN-JGCCXMBTSA-N	683.778	1.082	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582739	VSWIMNYXYVHROG-UIOOFZCWSA-N	599.692	1.282	0	40	KDAB	
COc1ccc(CN2CCC(NCC(=O)N3CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@H]3CC(C)C)CC2)cc1	643586729	ZLXPPJYSZPYMGC-CSEBVFCESA-N	620.832	1.888	0	40	KDAB	
COc1ccc(-c2coc3cc(OCCOCC(=O)OCCOCC(=O)O)cc(OCCOCC(=O)OCCOCC(=O)O)c3c2=O)cc1	2060993746	LONZDEPBGCIWJH-UHFFFAOYSA-N	692.623	1.548	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N[C@@H](Cc1ccccc1)C(=O)O)n2C[C@@H](O)COc1ccc(Cl)cc1	10274133	FVRFBKRLIYDGTE-AEFFLSMTSA-N	513.938	1.624	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	17466354	VUYUCCXGUQLZCC-UHFFFAOYSA-N	578.713	1.971	0	40	KDAB	
CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	22228023	VDRXVVAHXPPUNK-UHFFFAOYSA-N	501.652	1.754	0	40	KDAB	
COc1ccc(CC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC	32972011	UMEBSHVAJPBXGD-UHFFFAOYSA-N	503.600	1.482	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1	101647142	JVEJCSQMNQSWSK-SJKOYZFVSA-N	522.889	1.734	0	40	KDAB	
CCn1c(S[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2NC(C)=O)nnc1-c1ccccc1	103505594	KTNMCEHJGUQNFK-KHYDEXNFSA-N	534.591	1.713	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)C[C@@H](C)O1	643565108	CYSPVELZSUXTPJ-KRYIYRGRSA-N	578.666	1.627	0	40	KDAB	
CC[C@H](N)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CC1	1615709188	RYUHTSQZYAFCBZ-QMOZSOIISA-N	646.793	1.006	0	40	KDAB	
COc1ccc2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1OC	70706164	JLKPIPNAPCJPKL-FQEVSTJZSA-N	585.635	1.396	0	40	KDAB	biogenic
COC(=O)c1cccc(OCCOCCOCCOCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OC(C)(C)C)c1	72130561	XILRGXFMEQJWTK-RUZDIDTESA-N	655.742	1.759	0	40	KDAB	in-vitro
CC(C)C[C@H]1C(=O)NCC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O	82195404	BUVMDQSPTWIZGE-SMPJQSMZSA-N	670.811	1.458	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	102920874	IYSZBUSSEQOGSH-UHFFFAOYSA-N	539.058	1.982	0	40	KDAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222932558	NLFQWCVFDTXLGC-OAQYLSRUSA-N	563.673	1.665	0	40	KDAB	
C[C@@H]1O[C@H](O[C@H]2C[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	252695088	UPADPCUOTDTWHH-DIPPMABBSA-N	768.982	1.752	0	40	KDAB	biogenic
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@@]2(C)CC[C@]24C[C@]25CC[C@@H](OC[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C(C)(C)[C@H]5[C@H](OC[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C[C@]34C)O1	2060989888	JANVOMCWWGNAIZ-KTSDPRBFSA-N	827.062	1.199	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Br)cnn4C)[C@H]3SC2)s1	2752095	NQKUQAIUTHXBRS-YMTOWFKASA-N	531.439	1.487	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	250512825	ODPZJAAJIRYNEL-OQEHDIDLSA-N	538.506	1.068	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCNC1=O	643567916	DLSLMKQVHMQFRL-JYFHCDHNSA-N	600.761	1.102	0	40	KDAB	
CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C	34015896	SJDDOCKBXFJEJB-MQKZXWNDSA-N	509.003	1.852	0	40	KDAB	in-vitro
COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCCCN1CCOCC1	35973839	ZLGQREFZCHZVQX-CLCOLTQESA-N	569.684	1.914	0	40	KDAB	
COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	38143538	FYWCDZKQBWSMDD-GPRMNTLWSA-N	506.548	1.045	0	40	KDAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	59838771	APRBCSMKUZLROH-NRFANRHFSA-N	551.687	1.823	0	40	KDAB	
C[C@@H]1Cc2ccc(S(=O)(=O)N3CCOCC3)cc2N1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1	98005218	PQFJQPFCCLCPBU-MRXNPFEDSA-N	541.673	1.381	0	40	KDAB	
CS(=O)(=O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253399442	JIJYPLGTYYZZFR-RCDAXMBGSA-N	707.854	1.528	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@H]1[C@H]2[C@H](OC(C)=O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O	254414610	LWEDMLOAXCZSBB-UFPZKIMUSA-N	606.665	1.916	0	40	KDAB	
CS(=O)(=O)Nc1ccnn1CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2	643584761	RTYFZCRZFJHQFJ-UHFFFAOYSA-N	513.620	1.774	0	40	KDAB	
CCN(CC)CCCn1cnc2c1c(=O)n(CCOC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n2C	8740307	LEYYWCFSBZOCHP-UHFFFAOYSA-N	517.583	1.511	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1	22835181	QSVMTNDNEAHICU-LRDDRELGSA-N	510.878	1.556	0	40	KDAB	
O=S(=O)(c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1)N1CCOCC1	97945466	JSLDMQQJMLZTRQ-UHFFFAOYSA-N	528.653	1.550	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccccc2OC(F)F)c(=O)n(C)c1=O	103135296	OENCLAPLZOYZLU-UHFFFAOYSA-N	549.512	1.433	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224267995	ZADZJQUVRHXNNH-UHFFFAOYSA-N	539.676	1.858	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224456243	DDYLOHXDIKUDGO-QGZVFWFLSA-N	529.612	1.196	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	225685379	SWUDDJWBYRDEAX-UHFFFAOYSA-N	541.648	1.910	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585275083	VYYSLIAPTGVMAV-MUUNZHRXSA-N	549.615	1.777	0	40	KDAB	
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCOCC2)CC(=O)N1C	643576062	HCTIBWYFUBVHOI-CHQNGUEUSA-N	692.858	1.513	0	40	KDAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	4018298	NMDALIGPSXAUAQ-GSDHBNRESA-N	638.766	1.099	0	40	KDAB	
COCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1	6904784	MOGBKRMLYVADHT-NRFANRHFSA-N	557.629	1.996	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1	8715733	VGUUDSNUJASRMW-MWTRNUEPSA-N	510.878	1.726	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1C	9577522	AUTUUVWONSSMDF-QHCPKHFHSA-N	514.604	1.697	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccco2)CC1)OCO3	20084328	PAWHLWBDRDWWJJ-DVECYGJZSA-N	519.562	1.923	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	123307624	AMRMTJOEQNHFBE-UKBZFVJFSA-N	596.670	1.996	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389472	MLRZPRGBFKQPOT-VAQNDQKFSA-N	940.134	1.099	0	40	KDAB	biogenic,in-vitro
CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@]25C[C@H](OC)[C@H]2C[C@@]3(O)[C@H]5[C@H]2OC)[C@@H]14	253590242	DTTPWCNKTMQMTE-QPMPVFJTSA-N	507.624	1.350	0	40	KDAB	biogenic,in-vitro
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	257585838	VXVGFMUNENQGFW-GQASFLIASA-N	756.857	1.543	0	40	KDAB	biogenic,in-vitro
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2)cc1	408664705	DDMZXKZTIMAUMD-SFHVURJKSA-N	527.530	1.946	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643566319	WYSWXDCYKHPERE-BJKOFHAPSA-N	543.709	1.939	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1	643572427	BUBZHNHHGPJHBV-CTIGNXTNSA-N	614.769	1.622	0	40	KDAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CC(=O)N1C	643574859	VZRGLHASPYHFPS-GGCFSWKVSA-N	671.799	1.775	0	40	KDAB	
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)CC[C@@]3(C)[C@H]12	1857789675	UEBSUYXDXSNJSV-WLAWFXJLSA-N	813.035	1.385	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CCNCC1	4277870	ASZTZPDEZQFHBY-GOTSBHOMSA-N	512.655	1.671	0	40	KDAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1	38784300	IPZYIOLVQQLEDC-HSZRJFAPSA-N	525.581	1.480	0	40	KDAB	
COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	98005950	IJOAIKTXOURHMD-HMDHFJOWSA-N	605.515	1.055	0	40	KDAB	
O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103055406	SVXDDSHDWUUSJN-UHFFFAOYSA-N	546.023	1.211	0	40	KDAB	
C[C@@H](C(=O)NCCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222854721	JNHKBTYTRSXYNM-IBGZPJMESA-N	537.610	1.141	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1I	224221476	AOJQGMZQDCHSQM-UHFFFAOYSA-N	540.401	1.907	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	2629623	XQKKNOBQVBPNNL-UHFFFAOYSA-N	551.629	1.743	0	40	KDAB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	5047690	VRWIMNXQXLLYDR-XPWALMASSA-N	529.590	1.411	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](C)C(=O)O)CC2)cc1	8918035	ROBPZEORFCNERM-AVRDEDQJSA-N	501.605	1.713	0	40	KDAB	biogenic
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941108	QSTUYBMOKNDQGN-NRFANRHFSA-N	514.652	1.707	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c(=O)[nH]c1=O	38152773	QGHKTFBKFCBQEC-UHFFFAOYSA-N	544.682	1.960	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	59838543	VSYYWCMCMGHDFG-UHFFFAOYSA-N	551.687	1.742	0	40	KDAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)[C@@H]1O	70691870	LELZHYIYODBMGR-UENFBAJQSA-N	566.688	1.053	0	40	KDAB	biogenic
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1	95547986	VXVGFMUNENQGFW-JUCAJKCDSA-N	756.857	1.543	0	40	KDAB	in-vitro
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1	225357359	CFENJNYEDPQOKI-UHFFFAOYSA-N	520.560	1.861	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCCN)cc3)CC2)OC[C@@H]1n1cc(Cl)c(O)nc1=O	257251763	JSCMQRFERSPDJR-CVDCTZTESA-N	506.987	1.717	0	40	KDAB	
O=C(Nc1cc(C2=NCCN2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C3=NCCN3)cc(C3=NCCN3)c2)cc1	1684379	MBALZMGGZSPTJW-UHFFFAOYSA-N	588.676	1.590	0	40	KDAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(C(F)(F)F)n3N)cc2)nc(C)n1	2656969	WXCZNGULRKGPNT-UHFFFAOYSA-N	502.504	1.949	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@@H]3SC2)s1	2732762	ZSZSAKWJVDKMID-WBMJQRKESA-N	516.577	1.820	0	40	KDAB	
CSCC[C@H](NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN[C@@H](CCSC)C(=O)O)cc2)cc1)C(=O)O	4792101	GMAYADLDIZTBDK-VXKWHMMOSA-N	626.779	1.988	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC	6546740	KKHFHSVGWMKLLE-OAQYLSRUSA-N	557.585	1.614	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2ccc3c(c2)OCCO3)c(=O)n1CC(=O)NCCc1ccc(F)cc1	12541879	VPYQORHMZIRDIY-FHVZNZBFSA-N	512.559	1.351	0	40	KDAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1	20032211	LCXCLWZNYZFAIG-UHFFFAOYSA-N	502.014	1.713	0	40	KDAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc(C(N)=O)c1C	22833111	BLDREFORFBZWFQ-UHFFFAOYSA-N	508.622	1.586	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838166	OAHDFOJKUMQXCM-HNNXBMFYSA-N	532.040	1.353	0	40	KDAB	
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1=O	103028723	RBFUYHINZIRMDS-MHZLTWQESA-N	534.573	1.156	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	139036046	QCNWTSLXQALLCD-CKUFSQJBSA-N	552.561	1.999	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCCCO)cc1	222932282	CBLYKDBSPDYGCR-FQEVSTJZSA-N	549.646	1.011	0	40	KDAB	
O=C(O)COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O	408588457	BPASSYVKKYEXIU-XNWCZRBMSA-N	525.049	1.494	0	40	KDAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N=c2cc[nH]cc2)ccc1OC(C)=O	409383193	SHTQLGLPIRJAKC-DQEYMECFSA-N	610.528	1.846	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccc(OC)c(OC)c2)CC(=O)N(C)CC1=O	643570903	XKQGJDUAGUNICY-QFIPXVFZSA-N	554.644	1.641	0	40	KDAB	
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	1534685670	QRMBKHABIJSKEI-DHRIPFEQSA-N	815.007	1.071	0	40	KDAB	
CN(C)CCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615157204	JDLHOMBJQFTYAP-UIOOFZCWSA-N	581.714	1.745	0	40	KDAB	
CC(C)[C@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O	2037879529	BOZDVFZGBRNODM-DZUANBCISA-N	505.999	1.993	0	40	KDAB	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)C[C@]12C	2054340348	FNIRVWPHRMMRQI-XECDGHMUSA-N	770.998	1.759	0	40	KDAB	
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1ccccc1	4147989	JEVWKKFRTHFXKD-DNQXCXABSA-N	551.625	1.889	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6090059	MJMQDLOQCKGXFB-NRFANRHFSA-N	540.602	1.681	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC	6905090	QHNBVPOLHMTXFG-FQEVSTJZSA-N	529.575	1.698	0	40	KDAB	
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706026	OWQZZGXGDUVEJE-DNQHQPOYSA-N	558.591	1.151	0	40	KDAB	biogenic
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c(N)n(Cc2ccccc2)c1=O	103087262	GUXRLOKNCIAZEZ-UHFFFAOYSA-N	560.519	1.699	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN2Cc3ccccc3C2)CCCCOC[C@@H](O)[C@H]1O	643586650	JTCBPZXMJBEFMY-IYUNARRTSA-N	519.683	1.641	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6136217	BLAWQRCIUJEFQD-NRFANRHFSA-N	519.587	1.914	0	40	KDAB	
COc1ccc(NC(=O)COC(=O)c2ccccc2-n2cnnn2)cc1S(=O)(=O)N1CCCCC1	22357307	TTYNCNDGKLHLDM-UHFFFAOYSA-N	500.537	1.641	0	40	KDAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(=O)[nH]c1=O	38140492	XHHXCDZPLRADRG-UHFFFAOYSA-N	541.696	1.623	0	40	KDAB	
C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccc(S(N)(=O)=O)cc1	38140806	YTKGDIUZCGAKAY-MRXNPFEDSA-N	535.648	1.052	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@@H]42	100766381	DTTPWCNKTMQMTE-BOGSXXHMSA-N	507.624	1.350	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1	222711153	TYYAWXUOZWDZIU-UHFFFAOYSA-N	503.606	1.780	0	40	KDAB	
Cc1cc(=O)oc2cc(N[C@@H](O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)CNC(=O)[C@H](CC(C)C)N[C@H](C)O)ccc12	1569989273	ZYQYVNMMFPWTJT-JVDWHEDZSA-N	615.650	1.624	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]24	1775953475	DTTPWCNKTMQMTE-IEYCPRPCSA-N	507.624	1.350	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O	2048392537	LUVNTPPXXIXEDW-UARRHKHWSA-N	526.634	1.356	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1	1368464	YLOABMLUYCPTHS-UHFFFAOYSA-N	501.652	1.331	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)N[C@H](C)C(=O)O	9012114	BOWCLTOSMALEFJ-XPGWFJOJSA-N	512.588	1.713	0	40	KDAB	biogenic
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	20033264	SIJAOEWTMUPLAY-UHFFFAOYSA-N	523.633	1.431	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)CC2)cc1	66128643	SUCQDMFRLDBTSJ-PMACEKPBSA-N	579.697	1.808	0	40	KDAB	
COCCN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72137474	IZFMTDOQHUFPJG-UHFFFAOYSA-N	532.553	1.922	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc(O)c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N2C)cc1	95548067	TWOWSRSKGJSZHZ-ALIPSFGCSA-N	772.856	1.034	0	40	KDAB	in-vitro
COC(=O)c1c([Sn](C)(C)C)nn([Sn](C)(C)C)c1C(=O)OC	195752083	YXHLKVPTYJRJQL-UHFFFAOYSA-M	509.767	1.685	0	40	KDAB	
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CCN(C)CC1	225513591	ZHGYQRLLKPXYKR-FQEVSTJZSA-N	520.677	1.971	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@H]3C(=O)NC[C@H]1O2	253401572	NHQPMJZMAQJYBW-DXLYGPJMSA-N	576.694	1.558	0	40	KDAB	
COC(=O)COc1oc2cc(C(=O)O)c(C(=O)O)cc2c(=O)c1-c1ccc(OCC(=O)OCC(=O)O)cc1	263583754	YIHZHUVRQADMBO-UHFFFAOYSA-N	530.394	1.415	0	40	KDAB	
CN1CCN(C2=Nc3cc(Cl)ccc3N([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3ccccc32)CC1	504799687	YWWIDMPXCSUNRD-OZOVBHBASA-N	502.955	1.009	0	40	KDAB	in-vitro
O=S1(=O)CC[C@H](N(CCNS(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)C1	575426046	LILIHGXYERGRIZ-FQEVSTJZSA-N	560.679	1.939	0	40	KDAB	
C[C@@H]1NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)C2CCCCC2)NC1=O	643580862	WCCOKAFYABMYJR-QACLQDTKSA-N	649.789	1.754	0	40	KDAB	
Cc1ccc(OC[C@@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C	10274085	GYAPJQLFIXNQJD-NRFANRHFSA-N	504.591	1.807	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1	100277305	CVOKLYCZQMLUER-ZEQKJWHPSA-N	569.638	1.968	0	40	KDAB	
C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100928894	FYSGSJYHTVGYLT-VMBXEPDQSA-N	506.669	1.897	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	216237895	RGFAJGQCCDBPBF-UHFFFAOYSA-N	517.589	1.692	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	224500524	LIUAIUFRCCWGQS-IBGZPJMESA-N	572.105	1.957	0	40	KDAB	
CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1	257313513	USWWYCSDOXWNID-UHFFFAOYSA-N	557.652	1.815	0	40	KDAB	
C/C=C1/C(=O)N[C@H](C(=O)O)[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](/C=C/C(C)=C/[C@@H](C)[C@@H](Cc2ccccc2)OC)[C@@H](C)C(=O)N[C@H](C(=O)O)CCC(=O)N1C	299817165	IXBQSRWSVIBXNC-RLYCYGFOSA-N	824.977	1.183	0	40	KDAB	biogenic,in-vitro
C[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](C)N[C@]5(C(=O)N(C)c6ccccc65)[C@@H]4C3=O)C(=O)[C@H]12	585139068	NGQVTJJPTHNQTI-OYBMYHFTSA-N	652.752	1.476	0	40	KDAB	
CCOC(=O)N1CCC(O)(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1	585284635	YWTCFERWZQBNCT-SANMLTNESA-N	507.628	1.187	0	40	KDAB	
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC	601014232	CLEGFGKFODRAPQ-MHORFTMASA-N	542.630	1.883	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]([C@H](C)O)NC1=O	607857624	BSMORZQXPRJUEU-RFOODUQQSA-N	777.920	1.109	0	40	KDAB	biogenic,in-vitro
CN(C)CCCCNC(=O)[C@@H]1CC(=O)NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643576626	XKDPOXSIXIQGPM-NSOVKSMOSA-N	648.805	1.688	0	40	KDAB	
COc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)c1	104367450	SQAOLRBNCHCBJD-QTJGBDASSA-N	538.626	1.654	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]13)CC[C@@H]2O	253403162	PKIYATACLGRNFB-QOAPGFADSA-N	523.586	1.549	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)nc(O)nc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C	408938161	KWMYSTSXFOSFCX-FJJYYWMZSA-N	512.544	1.492	0	40	KDAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)ccc3c2=O)cc1	4791471	WRQDPXOHSTZOBL-UHFFFAOYSA-N	508.556	1.367	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(N)=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2=S)cc1	9892318	UAFIWELXWRJSOU-SFHVURJKSA-N	500.533	1.403	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)[nH]c1=O	23076482	LFARBEUCCSTRHU-UHFFFAOYSA-N	521.640	1.777	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1	38152356	PIDHDAPJKGOJJM-SANMLTNESA-N	543.646	1.959	0	40	KDAB	
CC1(C)O[C@H]2[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(Br)cc5)nc43)O[C@H](CO)[C@H]2O1	98048061	PELIPSXWAUNANX-GABDYKALSA-N	536.339	1.309	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(NCCOC)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	100239398	LRCPOZUEDCUWOW-LJQANCHMSA-N	539.593	1.014	0	40	KDAB	
CC(=O)OC[C@@]12[C@H]3[C@H](OC(C)=O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]1(O)C[C@@H](OC(C)=O)C[C@H]2OC(C)=O	118928597	LWEDMLOAXCZSBB-UAPGRTBOSA-N	606.665	1.916	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	223318748	VXOHSRJFVXATHH-UHFFFAOYSA-N	553.644	1.929	0	40	KDAB	
CC[C@H](C)[C@H](O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC	253480985	CPKXIKIVLSMABL-GYEXRWRFSA-N	752.892	1.204	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@@H]3C[C@H]2C1	257264031	LSOLGNNSFXNZMI-GXURTEOASA-N	551.633	1.740	0	40	KDAB	
CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)c2ccc(OCCNC(=O)OC(C)(C)C)cc2)[C@@H](O)[C@H]1O	257320988	VZPRWSYQOIKDPS-BWPNAZKDSA-N	527.582	1.237	0	40	KDAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3cncn3)CCO2)ccc1Cl	585285692	MCUSIJJTESSUAB-VWLOTQADSA-N	519.046	1.861	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575725	JPGTXIIIFVLZOW-AWCRTANDSA-N	650.821	1.790	0	40	KDAB	
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	5273907	RMRFSFXLFWWAJZ-HJOGWXRNSA-N	507.543	1.213	0	40	KDAB	
COc1ccc(CCNC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC	9519779	OABSNLRNISLIDT-UHFFFAOYSA-N	529.615	1.650	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCCOCC2)c2ccccc2)cc1	9873338	VDWJPDWEIGBVFU-DEOSSOPVSA-N	506.621	1.923	0	40	KDAB	
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1F	13150497	CNUYQOBMCVUFKP-ZDUSSCGKSA-N	518.523	1.343	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2ccccc2OC)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	23077590	OFIUZWLZICTVBD-UHFFFAOYSA-N	504.569	1.605	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	85893418	KQPACFUEGAAHNG-YHJAPOPMSA-N	669.721	1.904	0	40	KDAB	biogenic
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccn2C)ccc1-n1cnnn1	100335896	ZQLJUMOARRYKOR-CCLHPLFOSA-N	570.614	1.824	0	40	KDAB	
Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224209972	ZYUJAZGKAPUIFV-UHFFFAOYSA-N	504.030	1.860	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043186	YADTWKNLURWCCA-LEWNJWSRSA-N	678.745	1.765	0	40	KDAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O	575447942	QFIYSPKZWOALMZ-HZOMJXPFSA-N	857.815	1.750	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21	1534612516	HYJIVHUETNKBFY-ZDXQCDESSA-N	523.615	1.997	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6C[C@](C)(C(=O)O)CC(=O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	1534688759	LEEDBDNBNJDNMW-HBSAZRPUSA-N	955.101	1.005	0	40	KDAB	biogenic,in-vitro
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O	8234394	FEPMHVLSLDOMQC-VCEBSBAZSA-N	823.904	1.204	0	40	KDAB	in-man
Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)ccc1F	9577901	TUHWSWZCEGTAQA-QFIPXVFZSA-N	502.568	1.828	0	40	KDAB	
Cc1cccc(OC[C@@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1	10386242	GMDKLSXUNLEOON-NRFANRHFSA-N	504.591	1.509	0	40	KDAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(OC)cc1OC	19817878	IYIHBAVTOIHFAV-DNQXCXABSA-N	524.574	1.957	0	40	KDAB	
CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	95627527	FAXGPCHRFPCXOO-JEHGTXEXSA-N	685.904	1.467	0	40	KDAB	in-vitro
CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]2Oc2cccc(Br)c2)CC1	257235593	GYNDIZZUOSKKQL-UGKGYDQZSA-N	523.472	1.541	0	40	KDAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)c1	408664520	CEJNDWPUUPFFHJ-HNNXBMFYSA-N	501.492	1.396	0	40	KDAB	
C[C@@H](C[C@@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)O)CCOCCOCC1)C(=O)O	584905901	XBBJVBAFVSRBOC-ZDNVTZCJSA-N	546.658	1.217	0	40	KDAB	
Cc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)NCCOc3ccccc3C(=O)N2)c1	643562129	GGZWNMJOMIQVQD-GOTSBHOMSA-N	508.619	1.882	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNc2ccn(C)n2)CCCCOC[C@@H](O)[C@H]1O	643586705	UBFCSXJQLIFLRG-VGSCBBJJSA-N	577.698	1.904	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]21	1534611600	ABIRICFMENTMGD-XJUOHMSHSA-N	544.609	1.475	0	40	KDAB	
CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(CCC(C)C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1	1534613801	YWTYNOIYDFBDIE-ARNLJNQMSA-N	522.712	1.475	0	40	KDAB	
O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)N1CCOCC1	8445200	QBNSPNVFIJQTPJ-UHFFFAOYSA-N	558.690	1.849	0	40	KDAB	
Cc1ccc(OC[C@@H](O)Cn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C	56972306	IWNHWIZPGLGVQR-QFIPXVFZSA-N	518.618	1.802	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59852180	KXKGYZZPTZHXTQ-UHFFFAOYSA-N	558.078	1.841	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1	103009308	ZZYSOHPPGYFQKN-UHFFFAOYSA-N	572.647	1.463	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2)c(=O)n(C)c1=O	103102540	CYWZQBFHPFJLNG-IVCQMTBJSA-N	532.619	1.295	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)c2)C[C@@H](C)O1	150508480	WHSPVTQWAMOMHP-YSFYHYPLSA-N	652.744	1.865	0	40	KDAB	
Cc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)ccc1Br	224449807	QXUATKIKCKAZSD-UHFFFAOYSA-N	590.518	1.740	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1	253399298	IWBTUIVEXFIMRD-GJPOJAMWSA-N	530.565	1.838	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1	575422938	DNNKDIYNYRDEEW-WTGUMLROSA-N	615.560	1.020	0	40	KDAB	
CCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)[C@@H]1CCS(=O)(=O)C1	17466412	YJBMWQFRTRCKMD-GOSISDBHSA-N	536.628	1.639	0	40	KDAB	
CC(C)=CC[C@H](O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	97971614	UKJMISFXPQGTPF-JKVXEQPGSA-N	666.849	1.366	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	223052527	QEQZXVZAHUKBFK-UHFFFAOYSA-N	537.660	1.182	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224460606	OZZLBPAVJISVKH-UHFFFAOYSA-N	567.686	1.700	0	40	KDAB	
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)ccc21	224495066	RNILTFMXRYILSD-UHFFFAOYSA-N	509.606	1.816	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2CC[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)c1	257243478	IHEWYUZJXPOBRH-VURPSTOHSA-N	518.567	1.098	0	40	KDAB	
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br	575424523	TVSKRCLRIQTBSZ-MNOVXSKESA-N	520.221	1.402	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CCC(=O)NC2(CCCC2)C(=O)N1	643577084	DJWBVFOFVWTZEK-XZOQPEGZSA-N	569.703	1.656	0	40	KDAB	
CN1CC[C@H]2CC(=O)N3CCC(CC3)N3CCC[C@H]3C(=O)N[C@H]3C[C@@H](C(=O)NCC[C@H]2C1)N(C(=O)c1ccc(F)cc1)C3	2332241381	QFYKVYJXCQDDJG-DRSPUALDSA-N	596.748	1.458	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1	103057560	ZXACGPYNASQKIX-GFCCVEGCSA-N	544.508	1.369	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl	216429407	NCDSQAIRIWHFMJ-UHFFFAOYSA-N	503.986	1.993	0	40	KDAB	
CCN1CCN(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C(C)C)NC(=O)C2)CC1	643556034	DKUSQFQYEWJSBR-JOCHJYFZSA-N	522.090	1.849	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC(=O)N[C@H](CC(C)C)C1=O	643582715	VDLLBIGLLMGSRK-PKTZIBPZSA-N	565.675	1.086	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccncc3Cl)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548889612	IJHVBCFMTKWERB-IRLDBZIGSA-N	602.117	1.588	0	40	KDAB	
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	20638786	BVIHECXHKWZDLS-QFIPXVFZSA-N	507.591	1.197	0	40	KDAB	
Cc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	24764685	DDPQHNVUKJZQCZ-UHFFFAOYSA-N	521.574	1.438	0	40	KDAB	
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c2)CC1	32967110	CIXPXJUCIOBRRL-QGZVFWFLSA-N	506.090	1.952	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1	67338398	MIVSNCPYHXSVAA-UHFFFAOYSA-N	532.667	1.945	0	40	KDAB	
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O	70700419	CHXCMDQKIORBRU-FKBYEOEOSA-N	540.642	1.937	0	40	KDAB	biogenic
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C23C=CC12[C@@H]1C=C[C@H]3n2c(=O)n(-c3ccccc3)c(=O)n21	101044412	JSCBSEHJZKRCBV-JGNAIIIHSA-N	504.506	1.489	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	299817491	FNIRVWPHRMMRQI-RZXCQWOSSA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
C[C@@]1(N(CCNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CCS(=O)(=O)C1	575426757	ZIOMCVHOJIFQSV-OAQYLSRUSA-N	629.518	1.936	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585279929	HQVHIHMNVBYWCL-GDLZYMKVSA-N	590.624	1.775	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	605858088	KXHCYYSIAXMSPA-FZSPDKIOSA-N	869.055	1.866	0	40	KDAB	
C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C	2061000984	SGEKLQMLYWFVFY-UZRVHRHCSA-N	721.929	1.963	0	40	KDAB	
O=S1(=O)CC(c2ccccc2)CS(=O)(=O)C1CC1S(=O)(=O)CC(c2ccccc2)CS1(=O)=O	3181172	LQXBNLHWIDZHLZ-UHFFFAOYSA-N	532.683	1.283	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3925951	VJJPUSNTGOMMGY-QBUITQBFSA-N	588.562	1.339	0	40	KDAB	in-vitro
CCOC(=O)C1=C(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@H]1c1ccc(C)o1	12792714	NKJPXADIZBFWGU-IBGZPJMESA-N	500.439	1.958	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1cc(C)ccc1OC	20031119	UHLNSNXIYAEKAQ-UHFFFAOYSA-N	525.649	1.352	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@H]12)OC(=O)[C@H]3CN1CCN(C(=O)c2ccccc2)CC1	70665904	OODLPYNTTOEQHX-GKKRZOOYSA-N	556.656	1.893	0	40	KDAB	biogenic
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Nc3ccc(C)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	150425267	ZQXSFOAPFLRFGY-LZWHNZSHSA-N	725.697	1.027	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	224057874	GTOVDZNOKGOBCE-UHFFFAOYSA-N	521.661	1.945	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O	256297213	IAGSHEHQJJTLLR-MYLSNVMOSA-N	883.082	1.984	0	40	KDAB	
Nc1nc(O)c2ncn([C@@H]3C[C@H]4O[Sn](c5ccccc5)(c5ccccc5)OC[C@H]4O3)c2n1	263612797	YOHYHZSELJKFII-PFYBVYJXSA-N	538.152	1.074	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643566309	WRAKVXROXWKDSR-DHLKQENFSA-N	540.617	1.371	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O	4177592	MACRWUZSSFLAMW-XAKBYITLSA-N	585.702	1.852	0	40	KDAB	
CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCC2	6599732	XUTMLUPUYFFEIL-AHRSYUTCSA-N	527.548	1.710	0	40	KDAB	
COCN1c2ccccc2S[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	8431481	VKCGIKJXWXVQAJ-OVCVCBDASA-N	541.575	1.819	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl	20031840	BPRFBYQWRVQMGF-UHFFFAOYSA-N	502.014	1.713	0	40	KDAB	
CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C[C@H]3CCCO3)cc2c1	20081873	AYGBCXMHWYOOGQ-HSZRJFAPSA-N	511.627	1.817	0	40	KDAB	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)cc(OC)c1OC	72139923	GKWHNLAOGMQVAY-UHFFFAOYSA-N	534.635	1.737	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@@H]24	101659820	DTTPWCNKTMQMTE-XQVASPIUSA-N	507.624	1.350	0	40	KDAB	
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	102778263	JLPVRIOGPLZFDF-HNNXBMFYSA-N	548.014	1.222	0	40	KDAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222781013	KAIWVEUNUCNXNL-JOCHJYFZSA-N	609.145	1.605	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCCCO)cc1	222932341	CBLYKDBSPDYGCR-HXUWFJFHSA-N	549.646	1.011	0	40	KDAB	
COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1	224257853	HWQSTMSCAVEEHQ-UHFFFAOYSA-N	513.638	1.687	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@H]2O)[C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@H](OC(=O)/C=C\c4ccccc4)[C@H](C)CO2)[C@@]32CO2)O[C@H](C)[C@@H]1O	257569800	VOTNXJVGRXZYOA-SOBKEWFYSA-N	804.839	1.313	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(OC)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565895	LGDIHZFEQJGJEO-CZZAQMAHSA-N	554.644	1.761	0	40	KDAB	
COCC(=O)OCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COC(=O)COC)c(OC)cc3c2=O)cc1	2060999661	ZAOSBZVVLPXTGQ-UHFFFAOYSA-N	544.465	1.659	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(Br)ccc1O	6297302	FZYCMOVDYQMDCR-UHFFFAOYSA-N	529.365	1.980	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6904932	IWNIWHFCZUADMU-HXUWFJFHSA-N	529.550	1.838	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)Cn4cc(Cl)cn4)[C@H]3SC2)s1	10127196	PCITUFYFGPAUGA-YYDSMBMDSA-N	515.042	1.863	0	40	KDAB	
CC(C)[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O	70698558	OKDMHDCSXOJAGB-AHPZTNMXSA-N	536.633	1.647	0	40	KDAB	biogenic
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)N1CCOCC1	106757608	CXDRDDHDYRYRCD-ZHZULCJRSA-N	503.577	1.982	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	224469380	UTQIQSUIZPYIGP-HSZRJFAPSA-N	539.676	1.756	0	40	KDAB	
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1	643556948	PFANSRKNIWGTIK-MHZLTWQESA-N	545.658	1.883	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643564995	BBYCTVJSYPIACN-DWLFOUALSA-N	550.612	1.193	0	40	KDAB	
CC(C)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)CC1	643582520	FUGVUUOMKPLAJE-RPBOFIJWSA-N	549.672	1.306	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	2037928467	LZUKHKXPFYJZAC-MHZLTWQESA-N	528.581	1.621	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1	12555371	CXNWMFGKXGMPHS-UHFFFAOYSA-N	518.013	1.629	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3F)NC(C)=O)CC2)cc1	13565641	IOPBNMDMAWOYFW-QHCPKHFHSA-N	504.584	1.801	0	40	KDAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080166	JLARNDZAFJYIIF-WMZHIEFXSA-N	519.562	1.843	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337383	TXOBROPLFOBYQC-UHFFFAOYSA-N	523.059	1.762	0	40	KDAB	
C=C(Oc1cc(C(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O	67903640	QPTBIDGWTVNLQQ-WSZJRCBQSA-N	656.553	1.154	0	40	KDAB	biogenic,in-vitro
CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	102253809	BCCHXQUGHDOKMG-QHCPKHFHSA-N	537.617	1.287	0	40	KDAB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1	224338336	PJHAQPMWPRZIRO-UHFFFAOYSA-N	507.619	1.794	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	257198697	GHUUTEXYFBCKSM-KTTPNDTGSA-N	738.912	1.361	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCN(C)C1=O	643566042	UPQFJWLEITYACG-PGRDOPGGSA-N	566.581	1.589	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1	12631961	DBZPYOLLACMYKN-FQEVSTJZSA-N	506.577	1.396	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1cc(Cl)cc(Cl)c1	19961954	CVEGWXKMGONAKP-SFHVURJKSA-N	506.394	1.261	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1	222833340	LHTZRLKQJVOOJU-UHFFFAOYSA-N	518.013	1.595	0	40	KDAB	
C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222856791	LQDDXNDJHFTVPU-HYBUGGRVSA-N	563.648	1.938	0	40	KDAB	
CC1(C)CC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CN1S(C)(=O)=O	257292945	QNODUMJEGKVMLP-UHFFFAOYSA-N	528.697	1.172	0	40	KDAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCC(=O)OC	408548918	NIBFEESULFUJKW-WUXMJOGZSA-N	518.260	1.307	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(OC)ccc3OC)cc2)c1	575422824	OJKMLTNMILSYOJ-VXKWHMMOSA-N	642.730	1.875	0	40	KDAB	
O=C(O)CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc5c(c4)OCO5)CO[C@H]23)CCCC1	4259925	ZZGUYPBTFSZIEG-VUEDXXQZSA-N	501.496	1.443	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)NC(C)C	4277842	NRZWHNSKMUDEOV-FCHUYYIVSA-N	511.579	1.235	0	40	KDAB	biogenic,in-vitro
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877473	FGYFAOFEDVKCIP-GYHWCHFESA-N	552.656	1.439	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224217498	KMUNTIPPVBIOPJ-HNNXBMFYSA-N	504.030	1.940	0	40	KDAB	
Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224441123	QEUXGAPHEFJNTJ-UHFFFAOYSA-N	525.649	1.286	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O	245380272	VOBAMTUXDLOETR-JVNMPXIPSA-N	571.675	1.462	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1	886077	SULVQMJCXKWZIZ-HSZRJFAPSA-N	511.583	1.795	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6089326	APAFOMJJPYMHHE-LJQANCHMSA-N	514.539	1.421	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1	20084083	OVINXAUJLHYGKD-QFIPXVFZSA-N	523.550	1.319	0	40	KDAB	
CCc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	150381739	XEQWGLUCZUVJEG-SLQNHJCCSA-N	740.708	1.248	0	40	KDAB	
CO[S@@](=O)(=S)CCNC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	169811002	WWCPISCDFZLLAA-BXZGTKCBSA-N	743.012	1.989	0	40	KDAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222853677	DZZDDVISMPHSDF-GOSISDBHSA-N	507.584	1.779	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C(=O)NC[C@H]1O2	253409296	ZZGAMUZFBWQGPF-CFJXPYFLSA-N	568.646	1.730	0	40	KDAB	
CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@@H](O)C[C@@](C)(O)[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)C1	257217290	CYJIOKXPXDUIGG-ZRUQVRLOSA-N	551.648	1.273	0	40	KDAB	
COC(=O)[C@@H](Oc1cc(OCC(=O)OCC(=O)O)c2c(=O)c(-c3ccc(C)cc3)coc2c1)C(=O)O	263583635	OUXHFPOSYBFSEG-QFIPXVFZSA-N	500.412	1.780	0	40	KDAB	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1	14951646	ZEXLJFNSKAHNFH-ZVVXMFRTSA-N	610.715	1.675	0	40	KDAB	biogenic
CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	20676796	DUJOILKKLDPXMF-QHCPKHFHSA-N	521.618	1.451	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)c1	22609747	VAVOHOFXYYDXTO-HSZRJFAPSA-N	525.606	1.190	0	40	KDAB	
CC(C)CN(C(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	97980443	DJPQXKROKHQIKH-XNTDXEJSSA-N	546.694	1.382	0	40	KDAB	
O=C(O)CCC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	98042974	YJGDBIPJPLHQKF-SECBINFHSA-N	533.056	1.578	0	40	KDAB	
COC(=O)COc1ccc(CCC(=O)OCC(=O)N[C@@H](Cc2ccc(OCC(=O)OC)cc2)C(=O)OC)cc1	117350523	LQVDTILPDLBANH-QFIPXVFZSA-N	545.541	1.167	0	40	KDAB	
Cc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1S(=O)(=O)N1CCN(C)CC1	223520282	LNGLECUKAYXEKX-UHFFFAOYSA-N	502.644	1.178	0	40	KDAB	
COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224372138	BVJCCWDDERENTN-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	253501110	YXSQSVWHKZZWDD-BUAWTDKPSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3CC[C@]4(C)[C@@H]5C=CC6=C7CC(C)(C)CC[C@]7(CO)[C@@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4[C@]3(C)CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	256016896	ZXCJHOYFGJUMDY-METFDAPCSA-N	780.993	1.681	0	40	KDAB	
Cc1cn([C@H]2CN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)C[C@H](O)C[C@]2(C)O)c(O)nc1=O	257233880	GREDOGSMPKBNCJ-TWWFPWMWSA-N	523.512	1.992	0	40	KDAB	
CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3CCC(C(N)=O)CC3)CCO2)C1=O	643557183	QTVBWILGIKWBHG-HHHXNRCGSA-N	500.640	1.435	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O	1255957	YZNAZSZMJZVKBF-UHFFFAOYSA-N	515.603	1.764	0	40	KDAB	
CC(=O)NC1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2cccc3c(S(=O)(=O)C[C@@]4(C)SC(NC(C)=O)=NN4C(C)=O)cccc23)S1	8398710	CQKXRYHAFSVKMJ-WMPKNSHKSA-N	682.828	1.824	0	40	KDAB	
CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@H]2S1(=O)=O	8876192	VTSDQSJBKBMGIY-KSEOMHKRSA-N	500.621	1.778	0	40	KDAB	biogenic
COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1	9252733	ZNLYMBCKKWUGRJ-CVDCTZTESA-N	515.632	1.801	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1	12412403	NWVOYPJSAWIYEE-MRXNPFEDSA-N	516.942	1.309	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	13138279	MRKCLQOKRBTTSH-UHFFFAOYSA-N	511.597	1.302	0	40	KDAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1OC	20456254	OVHOTXSTTPEOGJ-UHFFFAOYSA-N	521.577	1.699	0	40	KDAB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	103105896	FIVCUAWBZNRQKQ-OAQYLSRUSA-N	530.541	1.363	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	224500348	KQIQUQVABYDODD-LJQANCHMSA-N	555.650	1.443	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc(S(C)(=O)=O)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253399041	IAQFLFNSBYTZFY-BJBOMGFNSA-N	652.774	1.842	0	40	KDAB	
C[C@]1(O)COC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)C[C@@H]1n1ccc(N)nc1=O	257225365	FFWYXRDTYZWGGM-LVXARBLLSA-N	525.606	1.214	0	40	KDAB	
Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@@H]2O1	263613796	ZRKMLPQXPCPPBB-ORCIIYJYSA-N	522.153	1.368	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1	585272324	HQPSRCOYKYORTD-HHHXNRCGSA-N	530.597	1.330	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N[C@@H](Cc2cnc[nH]2)C1=O	643568583	WTVLSWROIIQRFP-UIOOFZCWSA-N	620.682	1.480	0	40	KDAB	
Cc1nc(CNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)COc3ccccc3C(=O)N2)no1	643584148	GSEWLBCPZFLUMY-ILWGZMRPSA-N	556.664	1.979	0	40	KDAB	
C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@@H](O[C@@H]5O[C@@H](CO[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@@]3(C)[C@@H](O)C[C@@]12C	1529054865	SLAWMGMTBGDBFT-BTNGBKDHSA-N	801.024	1.120	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1Cl)CC2	1548889694	JYVPELRCSVYBGS-QUCCMNQESA-N	521.039	1.792	0	40	KDAB	
COc1ccc2cnn(-c3nc4c(c(=O)n(C)c(=O)n4C)n3C/C=C/c3ccccc3)c(=O)c2c1OC	12558983	HCKSWSOMGVKESM-DHZHZOJOSA-N	500.515	1.863	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1OC	15957945	DXZWQYDLHZJHCH-WTLLVQHOSA-N	506.559	1.159	0	40	KDAB	biogenic
CC(C)CN(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24764366	MICSVUITOOWOOU-FQEVSTJZSA-N	508.531	1.539	0	40	KDAB	
O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1	25326727	UDBQGWDPEAJOHN-SFHVURJKSA-N	515.617	1.918	0	40	KDAB	
CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C	203152375	SJDDOCKBXFJEJB-QNTYUMOHSA-N	509.003	1.852	0	40	KDAB	
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)CNC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)CC	299754584	WQHPLRJZSDNJQU-JIHUPKSFSA-N	661.778	1.702	0	40	KDAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(OC)nn2)c1	409384245	BPIDMYYCZSVUMX-RTWAWAEBSA-N	525.470	1.977	0	40	KDAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1	575426391	SLHHVQJYCRMSQF-ZEQRLZLVSA-N	696.782	1.775	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643569119	TUQLQQGHBDOCBA-TUSQITKMSA-N	566.655	1.487	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1	12793467	DPOGLKDZIVDKIR-UHFFFAOYSA-N	510.638	1.772	0	40	KDAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940679	PUPRGENMJBERRN-CVDCTZTESA-N	519.562	1.843	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccccc3OC)nc3c2c(=O)n(C)c(=O)n3C)CC1	60133501	BQGHPKPRFRXMES-UHFFFAOYSA-N	528.591	1.096	0	40	KDAB	
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N2CCCN(C)CC2)CC1	71328450	SENDSSLCOBYNTE-UHFFFAOYSA-N	504.657	1.590	0	40	KDAB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O	97980035	PFODULMRBOOQGJ-KBOKABMXSA-N	576.031	1.135	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@]24[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]24O)O[C@H](C)[C@@H]1O	118939769	WZCKFKUUQUMLRX-UFAMNKLPSA-N	562.656	1.421	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C1=O	252678326	DWMRYOPFBMMZEG-IZQKJDMWSA-N	605.736	1.529	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc(Br)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	254620579	SSPAAUHWLHOCSS-FSGKZVOOSA-N	561.407	1.819	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643564705	BIOGEKRBCNSZFI-RBZQAINGSA-N	543.709	1.793	0	40	KDAB	
CCCN(CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]1CC(C)C)C[C@H]1CCCO1	643586673	MZSRZTFPWGSDCD-HWRPZNHGSA-N	543.746	1.516	0	40	KDAB	
NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1	3235669	FJIQFSUNBMUZDS-UHFFFAOYSA-N	526.365	1.364	0	40	KDAB	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccncc2)CCN1S(=O)(=O)c1ccc(OC)cc1)C(C)C	4151713	PLVAWHPBJIYPFZ-YUXAGFNASA-N	532.619	1.356	0	40	KDAB	biogenic,in-vitro
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6904955	VTEZODPFXFEXEA-HXUWFJFHSA-N	529.550	1.885	0	40	KDAB	
COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(OC)cc5)C4)CC3)CC2=O)cc1	13898105	BPLICWXNVPPLFE-BGYRXZFFSA-N	520.586	1.781	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1	14361514	WDLXKPNVNKCGSP-FQEVSTJZSA-N	523.633	1.889	0	40	KDAB	
Cc1nc(C(N)=O)c(N)n1CCN1CCN(C(=O)CCCCCCCCCCN[C@@H]2N=CNc3[nH]cnc32)CC1	19329916	KTULRZGHBYYTSL-AREMUKBSSA-N	555.732	1.993	0	40	KDAB	
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)C1	71772614	VVEIQHRXBJJYGV-ZWKOTPCHSA-N	504.609	1.761	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O	76945597	QNPQJKICJQEMBY-RYYIWTEWSA-N	671.877	1.077	0	40	KDAB	in-vitro
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)cc1	100087568	WIKWPQIAPOKPLC-UHFFFAOYSA-N	528.052	1.816	0	40	KDAB	
COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1	113490825	OZNQKLUFKYEQLQ-UHFFFAOYSA-N	530.600	1.107	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O	137209619	PLORCKNHUZJPKH-QPRAYYDFSA-N	580.542	1.953	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1	222611129	OKGCEUSXGHUQBN-MRXNPFEDSA-N	527.621	1.518	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1	223506693	HHQHNMZLRYWREK-GDLZYMKVSA-N	597.690	1.974	0	40	KDAB	
O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21	224497783	PAUNRZSXZPWLOM-UHFFFAOYSA-N	535.644	1.364	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1CN1CCOCC1	225232509	MVMLLPAZFBRMGJ-UHFFFAOYSA-N	517.648	1.797	0	40	KDAB	
CCCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@@H]3O[C@@H]3C=CC(=O)O1)C[C@@H](O)[C@@H]2C(=O)O	255988651	MUAOHYJGHYFDSA-SYBSXYNJSA-N	707.814	1.290	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2O)[C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@H](OC(=O)/C=C\c4ccccc4)[C@H](C)CO2)[C@@]32CO2)O[C@H](C)[C@@H]1O	257569798	VOTNXJVGRXZYOA-AIKOSWRKSA-N	804.839	1.313	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569209	NMHBPEXWJNNESV-URXFXBBRSA-N	515.655	1.159	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)c(=O)n(C)c1=O	3319731	XMBKTAXJKULDEK-UHFFFAOYSA-N	546.989	1.501	0	40	KDAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	14943779	RGAWAAOOJBIBGY-PCGHUGMXSA-N	508.962	1.538	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	253387436	RZQHWSDMLZHIRN-UMVOYUSUSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	408595490	XDDUTBIKDPXGFH-RUDMXATFSA-N	528.040	1.882	0	40	KDAB	
CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	9171302	WHWBYXWGMLZPCA-IPJJNNNSSA-N	509.563	1.626	0	40	KDAB	biogenic
CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12	11866986	SNXKESNSEZNQHH-UZTOHYMASA-N	513.591	1.429	0	40	KDAB	biogenic
CN1C[C@@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	57681181	XCGSFFUVFURLIX-RXNMCMJSSA-N	581.673	1.991	0	40	KDAB	in-vitro
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	95601336	CWVYINXKSHJGFX-QFIPXVFZSA-N	563.698	1.931	0	40	KDAB	
CCn1c(S[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1	103505593	KTNMCEHJGUQNFK-SALXWAHTSA-N	534.591	1.713	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccc(OC)c4)C[C@H]3C(=O)NC[C@H]1O2	253399386	IZVROPRSUGHLDX-RBYFDUNASA-N	580.682	1.599	0	40	KDAB	
Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	260888159	IJZUBIKPIFBWHM-HXUWFJFHSA-N	539.676	1.674	0	40	KDAB	
C[C@H]1Cc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2CN1	265540555	DVHSNZOOJZPPDW-SDADXPQNSA-N	548.069	1.336	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1	585279681	FPAASYURNFDRPA-GDLZYMKVSA-N	554.644	1.450	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CC(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643574791	RCERUAKCXYPGRB-FPNNDXFKSA-N	634.778	1.202	0	40	KDAB	
CN1C(=O)/C(=c2\sc3n(c2=O)CN(c2ccc(I)cc2)CN=3)c2ccccc21	2261340	NYERAWFFXIKWGW-MSUUIHNZSA-N	502.337	1.745	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(c2ccccc2)O[C@H]([C@@H](COC(C)=O)OC(C)=O)C1OC(C)=O	4403228	AVGQXSYFSKVNNV-LAXYDGGRSA-N	510.492	1.391	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	8214480	QBILRDAMJUPXCX-AGAUEGNUSA-N	534.646	1.779	0	40	KDAB	biogenic,in-vitro
CC1(C)O[C@@H]2[C@H](COC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)O[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	8740019	NCRHFKAHKVXKCU-VXCLMFOKSA-N	515.519	1.299	0	40	KDAB	biogenic
CN(C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)[C@H]1CCS(=O)(=O)C1	13138737	YIZHDKJXFLUTKR-HNNXBMFYSA-N	502.517	1.568	0	40	KDAB	
COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1	224253095	YWTLAIUUTYCMTL-INIZCTEOSA-N	529.637	1.304	0	40	KDAB	
Cc1cc2nc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)[nH]c2cc1C	257223843	DZDNVSIBQFQAIO-LYZGTLIUSA-N	563.659	1.633	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643566657	GCPZQCLZHAVREB-AYEHBTSNSA-N	562.667	1.923	0	40	KDAB	
Nc1ccc(-c2ccc(N)c(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)Nc3cc(-c4ccc(N)c(N)c4)ccc3N)CC(=O)O)CC(=O)O)c2)cc1N	1384260031	RIVBWAIRFFNTDX-UHFFFAOYSA-N	785.863	1.251	0	40	KDAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3ccoc3)[C@H]3OC(=O)[C@H](C)CCc4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]3(C)O	2061001019	QFIYSPKZWOALMZ-DFNXHALFSA-N	857.815	1.750	0	40	KDAB	
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@H]1[C@@H]([C@H](O)CO)O[C@@H](Nc2ncnc3[nH]cnc23)[C@@H](O)[C@@H]1O	4758204	YBZRLMLGUBIIDN-YCDHLVPYSA-N	621.780	1.503	0	40	KDAB	in-vitro
C[C@H](OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OC[C@@H]1CCCO1)C(=O)OC[C@@H]1CCCO1	4804956	IIMHTAVCLBQOLI-XSLAGTTESA-N	506.501	1.531	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O)cc1	8651759	AHTGHRYUTABCAE-INIZCTEOSA-N	510.555	1.526	0	40	KDAB	
C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C	85340712	CQGUDVRRZKLXFR-JXYMKOSCSA-N	756.971	1.203	0	40	KDAB	biogenic
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	100862485	ZAUSOJZBZXWUJX-MAGMUUGSSA-N	543.623	1.977	0	40	KDAB	
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1	168488510	LLFJEMCZSIYOES-UHFFFAOYSA-N	503.633	1.295	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2	253403670	QILSGRIVYHUFQM-FEVSWUGISA-N	548.706	1.510	0	40	KDAB	
CCN(C(=O)CN1CCC2(CCCCNC(=O)c3cccc(C)c3OCCCNC2=O)CC1)[C@@H]1CCS(=O)(=O)C1	643557199	WSNXNQFITPFRHT-HSZRJFAPSA-N	576.760	1.912	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643567816	XTTMRBMLVPRYAC-BVSLBCMMSA-N	516.639	1.632	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N2CCC[C@@H]2C(=O)N(C)CCOc2ccccc2C(=O)N1	643569925	VPFIXIOINUPSQE-XZOQPEGZSA-N	538.649	1.116	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN(C)Cc2cc(C)on2)CCCCOC[C@@H](O)[C@H]1O	643586711	UXUNPKOINDJELB-PMHJDTQVSA-N	526.675	1.054	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5cncn5)cc4)CO[C@H]23)cc1	4259870	CEJPDIVASVONCY-UWHLTILDSA-N	510.536	1.040	0	40	KDAB	biogenic,in-vitro
NC(=O)c1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc(C(N)=O)c1	13129565	FJFBCTKYYVPWDG-NRFANRHFSA-N	514.494	1.274	0	40	KDAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	13565659	IBTJCQDIYOMGHO-XMMPIXPASA-N	516.620	1.670	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1	38784308	KOLGZFVDQOTLPL-QHCPKHFHSA-N	525.581	1.480	0	40	KDAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(N)=O)C(=O)O)CC1	100771480	XWMGOTZRAYVIFZ-XUWVNRHRSA-N	502.634	1.000	0	40	KDAB	
COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF	150661993	NLZNSSWGRVBWIX-KRCBVYEFSA-N	763.780	1.481	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224217549	KMUNTIPPVBIOPJ-OAHLLOKOSA-N	504.030	1.940	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	253500651	GZNCPAASLBFTKY-LZWKMULRSA-N	810.975	1.379	0	40	KDAB	biogenic,in-vitro
C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704498	ONVMFILWYXCYDY-KRWDZBQOSA-N	503.577	1.685	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643574679	JMYMRZNRULNOJL-GHPAMLPFSA-N	693.805	1.884	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643574683	JWKCVCPEDGUIQH-GGCFSWKVSA-N	657.768	1.634	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582534	ICOZKMUDJZOIJI-DQEYMECFSA-N	549.672	1.308	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCN(C(C)C)CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643582724	VJHRVLXGCYXVDF-VXKWHMMOSA-N	515.655	1.109	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1cccc(F)c1)CC2	1548889825	KWHYKWLHVQPQIJ-UXHICEINSA-N	532.594	1.915	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	2697390	QVBZGGOZXMIRMA-BXDIUNCMSA-N	507.568	1.671	0	40	KDAB	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	12914627	PPBDERFWUUTHNK-UHFFFAOYSA-N	508.622	1.757	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)CC2)cc1OC	12929103	QIFUXWUIPIKTCN-SFHVURJKSA-N	502.655	1.776	0	40	KDAB	
CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12	16032559	LCHGMGJQGGYDMD-UZTOHYMASA-N	513.591	1.429	0	40	KDAB	biogenic
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	16033754	VRFOWJNWBITJLS-YVMWEGPTSA-N	510.934	1.610	0	40	KDAB	
COc1ccc(CCNC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC	32957423	KCGYGBHDLYCBCP-UHFFFAOYSA-N	507.565	1.185	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)cc1	66124535	MCHHOJSIAQHKNV-UHFFFAOYSA-N	579.745	1.742	0	40	KDAB	
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1	103136722	ZKIHEZZUMHFIEO-UHFFFAOYSA-N	524.555	1.785	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1	222652002	YXRYZKMJULHEKV-UHFFFAOYSA-N	517.629	1.947	0	40	KDAB	
COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1CO	524731223	ONSZKLXTNQVVKK-PLMTUMEDSA-N	521.570	1.635	0	40	KDAB	biogenic
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643567053	QEEMUYAPCNALDJ-WIOPSUGQSA-N	529.682	1.597	0	40	KDAB	
CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@@H]2C[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@H]4[C@]1(O)[C@H]2OC	1857791062	XTSVKUJYTUPYRJ-KAAKLVEYSA-N	600.709	1.337	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1cccc(OC)c1	2299233	PORUIWYDZLVUMQ-GQEMFKIVSA-N	508.552	1.177	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	95547989	VXVGFMUNENQGFW-FICKNYIISA-N	756.857	1.543	0	40	KDAB	in-vitro
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Br)[C@@H]3SC2)s1	97947892	UKQNDAIMFCSTHH-NHYWBVRUSA-N	545.466	1.795	0	40	KDAB	
COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCCOCC1	104032267	BLLUYOYGDIMHEX-CJRSTVEYSA-N	574.712	1.394	0	40	KDAB	
CC(=O)O[C@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C	257505961	ORKLEZFXASNLFJ-DSTHZINXSA-N	943.996	1.628	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCOCC1	408693422	SXMYHTRAHVSOIP-QGZVFWFLSA-N	503.577	1.877	0	40	KDAB	
CC(C)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)CC1	643582519	FUGVUUOMKPLAJE-DQEYMECFSA-N	549.672	1.306	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cnn(C)c4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534612664	JPMNBLWUMKODIQ-PWWKTKHKSA-N	527.647	1.312	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2ccccc12	1702426	XNZUKUJONMYGIN-INIZCTEOSA-N	504.507	1.422	0	40	KDAB	
COc1ccccc1OC[C@H](O)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	2361736	BTMUJFCUNKNLJE-MRXNPFEDSA-N	511.560	1.603	0	40	KDAB	
C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	3277904	MXEJEZGTJQKDEB-GFCCVEGCSA-N	520.951	1.549	0	40	KDAB	
O=C(CCS(=O)(=O)c1ccccc1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	23080191	QUQWYISDNBTBHR-UHFFFAOYSA-N	515.009	1.580	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152295	NRZYCQNTPQAFQE-KRWDZBQOSA-N	547.568	1.384	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C	76945579	FAXGPCHRFPCXOO-JMTGTZLUSA-N	685.904	1.467	0	40	KDAB	in-vitro
COc1cccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4cccc(OC)c4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)c1	103770538	MJJMGFSOLJFSSQ-UHFFFAOYSA-N	557.519	1.369	0	40	KDAB	
CS(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	224418271	ICIOKMRZHVJJBL-UHFFFAOYSA-N	502.636	1.622	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C(C)C)C[C@H]4C(=O)NC[C@H]2O3)nn1	253406436	UMCBHUKWGNQUQS-FEVSWUGISA-N	526.638	1.647	0	40	KDAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409386872	HDASYPQFKGPMMX-NXLSWJSLSA-N	575.599	1.807	0	40	KDAB	
CC1=C(C[C@@H]2C(=O)N(c3ccccc3)S(=O)(=O)N[C@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	1628671	QGIHEFHWYZSHNW-KXBFYZLASA-N	504.590	1.760	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4cc(C(F)(F)F)n(C)n4)[C@@H]3SC2)s1	2784472	UBCVIZOUWJWXJW-YGRLFVJLSA-N	520.540	1.743	0	40	KDAB	
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CCn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O	100228288	UKDYLAPDCVFKGR-UHFFFAOYSA-N	596.652	1.105	0	40	KDAB	
CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CNS(C)(=O)=O)C2)CC1	257201260	AGYASIGYDOCZEX-JOCHJYFZSA-N	501.049	1.041	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(N)=O)c(OC)c3)C2=O)o1	409400074	OICYOBRHPFXTNH-MLPAPPSSSA-N	508.281	1.794	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ncc[nH]4)C[C@H]3C(=O)NC[C@H]3O[C@H](CCOc4ccccc4C(=O)N4CCN(Cc5ncc[nH]5)C[C@@H]14)CC[C@@H]3O)CC[C@@H]2O	514287386	RGCYJDKQYUWMCB-SCIXUSQWSA-N	939.084	1.087	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]4C2)OC[C@H](O)[C@H]1OC(C)=O	1529054416	GBPDDYORNLOZID-UOMREQMFSA-N	841.001	1.230	0	40	KDAB	
CNCCOc1ccc(Cl)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879797	QFVQZYVLRAUKNC-OALUTQOASA-N	504.971	1.114	0	40	KDAB	
C[C@H](O)C(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	2060999790	LMJLJHLHNWDRFZ-SSDLBLMSSA-N	505.046	1.094	0	40	KDAB	
Cc1cc(N2C(=O)C[C@H](N3CCC(C4CCN([C@H]5CC(=O)N(c6cc(C)on6)C5=O)CC4)CC3)C2=O)no1	9933910	OCLAZKRVHDCWIQ-PMACEKPBSA-N	524.578	1.667	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCCO)cc1	222945021	AOQUXRHSWFYMFD-LJQANCHMSA-N	505.637	1.842	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCNC1=O	643568096	JSEOOJIQJZIQKJ-BHDXBOSCSA-N	690.842	1.792	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CCO)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582609	QTNQBGNQBWEGNX-RPBOFIJWSA-N	550.656	1.374	0	40	KDAB	
C[C@@H](O)[C@@H](C(=O)N1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1C(=O)Nc1cccc(C(=O)O)c1)[C@@H]1N=C(C(=O)O)[C@@H](S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)O)c3)C2)[C@@H]1C	1570001128	KFMXBHFRIBLSQJ-MZNFTVPZSA-N	951.046	1.890	0	40	KDAB	
CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCC2	6599729	XUTMLUPUYFFEIL-NSISKUIASA-N	527.548	1.710	0	40	KDAB	
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	20491036	STESEOQEXIXZJY-UHFFFAOYSA-N	505.578	1.999	0	40	KDAB	
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O	23078021	WLTNMYSWEMZRTM-UHFFFAOYSA-N	525.603	1.526	0	40	KDAB	
Cc1ccccc1OCCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCOc1ccccc1C	23080577	TTWMBLCJBMWXJX-UHFFFAOYSA-N	500.548	1.860	0	40	KDAB	
COC(=O)[C@H]1C[C@@H](OC(=O)/C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	68568523	NYCOKGSVTGEONF-LNHSPDSWSA-N	578.523	1.450	0	40	KDAB	
COc1ccc2c(c1)c(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1	84386263	QCBWEVBGELGABM-CZLVRFMKSA-N	533.917	1.278	0	40	KDAB	world
CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	100392847	HRNMOJZLZGYPOJ-WTBLDKQZSA-N	521.651	1.644	0	40	KDAB	biogenic,in-vitro
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	169619683	ULGZDMOVFRHVEP-GUHCJBPDSA-N	733.937	1.786	0	40	KDAB	biogenic
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1	222620120	IYVAPBOLQRKVTH-UHFFFAOYSA-N	513.613	1.638	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2	224310066	VZRZAEVWNLDIRQ-UHFFFAOYSA-N	553.659	1.594	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2	253405220	SBFIVNRVVCGQJA-DEXHYYOUSA-N	530.622	1.699	0	40	KDAB	
CCOc1cc(CN(C)C[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585274529	XYOFZXBOPQRUPV-MHZLTWQESA-N	514.671	1.726	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566053	UZMBQOXUHMYQJX-DHLKQENFSA-N	508.619	1.916	0	40	KDAB	
CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CC1=O	643567127	SHEPVTHEISKOGI-IRLDBZIGSA-N	510.566	1.515	0	40	KDAB	
O=C(CN1CCCCC1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578540	XPWZLALIWXDKLC-LOSJGSFVSA-N	516.683	1.817	0	40	KDAB	
Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccc(Br)cc3)cc21	9645727	KCDSYDLILNPBCN-UHFFFAOYSA-N	509.382	1.637	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2F)CC1	19973386	XNAOCNNNOLQRSF-QHCPKHFHSA-N	507.526	1.940	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1OC(=O)c1ccc2ccccc2c1O	62725266	YRCXXSRBHWKKJC-FPCBHDNOSA-N	517.487	1.358	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	97971717	WCMJLEULXWUCRF-OLTREEDVSA-N	796.992	1.854	0	40	KDAB	biogenic,in-vitro
O=S(=O)(c1csc(-c2nnc(-c3cc(S(=O)(=O)N4CCOCC4)cs3)o2)c1)N1CCOCC1	100237558	PZJAFLHCBYDIHO-UHFFFAOYSA-N	532.647	1.568	0	40	KDAB	
CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC1=O	643566724	JADSAWVEOSFBAB-IRLDBZIGSA-N	550.612	1.147	0	40	KDAB	
Cc1nn(C)c(C)c1/C=C/C(=O)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643586533	NUTQNJNTJKIQMD-AFMIAGMASA-N	532.613	1.053	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CNC[C@H](Cc2ccccc2)N(C)C)CCCCOC[C@@H](O)[C@H]1O	643586732	ZXACIKVJHGXCAC-MYFOLEFESA-N	578.795	1.388	0	40	KDAB	
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@H](C)C(=O)O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c(OC)c1	67903082	URBFANMWRODMRT-RMHNHSADSA-N	729.688	1.155	0	40	KDAB	biogenic,in-vitro
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224255698	POXOMMPMHIAMDC-OAQYLSRUSA-N	513.638	1.685	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224307791	XBHVECZLXSEVEX-SFHVURJKSA-N	553.659	1.592	0	40	KDAB	
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	247753460	BYMLPPUTYPTYIM-UAGBHOFDSA-N	672.915	1.500	0	40	KDAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CC(=O)N[C@H](C(C)C)C(=O)N1	643565706	LJTICMCXBLHDPA-JLRUASKGSA-N	529.682	1.403	0	40	KDAB	
Cc1ccc(NC(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1	12542900	CHYGSXSTUUQGMM-XDHUDOTRSA-N	500.577	1.810	0	40	KDAB	
O=C(O)CNC(=O)CN(CNC(=O)C1C2CC3CC(C2)CC1C3)CNC(=O)C1C2CC3CC(C2)CC1C3	14919942	RHQQYKGDOAALHA-UHFFFAOYSA-N	514.667	1.781	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4cccc(OC(F)(F)F)c4)C3)C2=O)cc1	225396648	GITOEMLADYJXOP-CTNGQTDRSA-N	533.503	1.930	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1	225496411	VRFBQVMNEXKXJZ-UHFFFAOYSA-N	521.661	1.937	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ncc[nH]5)C[C@H]4C(=O)NC[C@H]2O3)nn1	514287380	OABPFKLMMJZJII-FEVSWUGISA-N	564.647	1.162	0	40	KDAB	
COc1cc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)ccc1O	524731685	HKMBWZLSCHJXRT-HHXXYDBFSA-N	507.543	1.848	0	40	KDAB	biogenic
CCN(CC)CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565308	CBMFCNVRFKSCIC-ZEQRLZLVSA-N	537.661	1.211	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@H]5[C@@H]1OC)[C@@H](OC(C)=O)[C@H]24	1775953476	DTTPWCNKTMQMTE-WFBPNHKGSA-N	507.624	1.350	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(C(=O)OCC)[C@H]1c1ccccc1OC	2350740	SCVGHENONNNIEU-LDVBQKTRSA-N	536.606	1.957	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@@H]3SC2)s1	2730772	UYNAOHKTVNWMQR-BBRMVZONSA-N	515.042	1.844	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4ncc(Cl)c4C)[C@H]3SC2)s1	2732738	CMDBCEFATJNRLA-SWLSCSKDSA-N	501.015	1.536	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)c(=O)n(C)c1=O	3346851	SXTAYEQWRZXDPP-UHFFFAOYSA-N	554.553	1.821	0	40	KDAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15957275	BXEZXMPVDQZFPE-YVMWEGPTSA-N	510.934	1.563	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)NC(C)C	224312658	ZJBGAZIPBNKNKE-UHFFFAOYSA-N	525.649	1.975	0	40	KDAB	
CC1(C)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O	247851644	VTSDQSJBKBMGIY-HJNYFJLDSA-N	500.621	1.778	0	40	KDAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1OC	408597751	XWYDNDCUPYHFHN-UHFFFAOYSA-N	521.636	1.442	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576003	BYMHVOVJWTXRSZ-NSOVKSMOSA-N	685.778	1.826	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3ccc(F)cc3F)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548890565	TWIVDQYMADEZNQ-KNQAVFIVSA-N	631.662	1.850	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(OC)cc1	2350577	MKQSVMZJYBKMOG-LDVBQKTRSA-N	536.606	1.957	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cc(Cl)ccc2OC)cc1OC	10283696	FXNFBPGVORWZOA-UHFFFAOYSA-N	511.984	1.862	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C	59838535	ITEJHJVFPWCWJQ-UHFFFAOYSA-N	551.687	1.742	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2)cc1	408650479	AZHLSUWUSJDAOF-KRWDZBQOSA-N	513.503	1.556	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@@H]3SC2)s1	2783522	XRFBNNUAPBPTOX-YGRLFVJLSA-N	520.540	1.743	0	40	KDAB	
Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c(=O)n(C)c1=O	3408794	YYDDJSAOOYOSCE-UHFFFAOYSA-N	509.613	1.950	0	40	KDAB	
CC(=O)N1CCC(C(=O)N[C@H]2C[C@H]3C(=O)Nc4ccc(-c5ccc6c(c5)OCO6)cc4C(=O)N3C2)CC1	3839244	LQTYGOKAPZXKGP-UGKGYDQZSA-N	504.543	1.992	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3ccncc3)C[C@H]2C(=O)N[C@@H](CC2CCCCC2)C(N)=O)cc1	4221926	YTDNKYJMDFZKKF-TUSQITKMSA-N	571.700	1.982	0	40	KDAB	biogenic,in-vitro
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	12632775	DPEKLBGOWAPQAW-FQEVSTJZSA-N	518.101	1.995	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	12950962	IIKYGDKDGOUXEV-MRXNPFEDSA-N	517.560	1.551	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c(C)c1C	62725239	AEDVJDMITHPZNB-GPXNVTIDSA-N	525.532	1.506	0	40	KDAB	
CC(C)[C@]1(O)NC(=O)[C@H](C[C@@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@@H]32)n2c1nc1ccccc1c2=O	252517044	ZCTHXQVUJKDGDA-XNPSHWSISA-N	503.559	1.201	0	40	KDAB	biogenic,in-vitro
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	254194453	YURJSTAIMNSZAE-MIDVFMNGSA-N	801.024	1.120	0	40	KDAB	endogenous,in-man
Cc1nnc(-c2ccc(OCCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)cc2)nn1	1857524105	FTGDGKKLLGMCLG-VDKIKQQVSA-N	589.719	1.513	0	40	KDAB	
COc1c(OC)c([C@@]2(O)C(=O)N(C)c3ccccc32)c2c(c1[C@@]1(O)C(=O)N(C)c3ccccc31)OCO2	1612073	FWPKQBNHQLCXLY-KAYWLYCHSA-N	504.495	1.857	0	40	KDAB	
O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1	8666424	WBHJSLDBCXZLLZ-LEWJYISDSA-N	537.660	1.952	0	40	KDAB	
CCn1cc(C(=O)N[C@H](C(=O)NCCNC(=O)c2ccncc2)C(C)C)c(=O)c2cc3c(cc21)OCO3	8764615	IEFWTUFRYRCGOD-QFIPXVFZSA-N	507.547	1.446	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)[C@@H](C)O)cc1	12528890	SFTZKTMRGJIBQL-RDXCRGQUSA-N	521.617	1.889	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13301308	XYWZWQBEWGQXQR-OCJQLBAASA-N	515.515	1.582	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O	72186777	LIQODXNTTZAGID-KDGBNKRASA-N	668.541	1.105	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	97948172	HVCYMXSWVDGCQW-MLGOLLRUSA-N	555.329	1.665	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(C)=O)[C@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O	252463617	JEQWQKAKFXGXKA-ULANDLHCSA-N	740.899	1.168	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC	253598318	HYTGGNIMZXFORS-SXLNJENKSA-N	793.948	1.607	0	40	KDAB	biogenic
COc1cc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc2c1OCO2	524729357	PPGUTNCRYCWEDP-HHXXYDBFSA-N	535.553	1.871	0	40	KDAB	biogenic
CCOc1cc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCN1CCOCC1	585274428	WJNGLPPOKNAGGL-MHZLTWQESA-N	504.672	1.334	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccc(F)c1)CC2	1548889004	DTFNLPKVAHFYLM-RPBOFIJWSA-N	588.702	1.720	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cnccn3)[C@@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)c1	4200978	WULXJECHTKKPKA-ZJOUEHCJSA-N	537.602	1.164	0	40	KDAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCCOCCOCC2)C(C)C)cc1	13475871	KPKNFWKWMKCAPD-QHCPKHFHSA-N	516.657	1.223	0	40	KDAB	
COc1ccc(OC)c(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)c1	19703194	QUPGLVOQKHQZAE-MJGOQNOKSA-N	508.575	1.564	0	40	KDAB	biogenic
CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCS(=O)(=O)C1	23080646	COFSQNFVGPKJDG-IBGZPJMESA-N	500.639	1.283	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	70708576	KISYRRMFQYIIFQ-CPIIKFMBSA-N	536.662	1.573	0	40	KDAB	biogenic
COc1ccc(-c2cc(CO[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1	100238935	RSFOBATZWJSMJB-WJGLBBAVSA-N	535.502	1.950	0	40	KDAB	
CCOC(=O)CC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc1)C(=O)OCC	100519684	BNPGUMJQSQOFPI-BGYRXZFFSA-N	536.578	1.696	0	40	KDAB	
CCn1cc(C(=O)N2CCN(c3ncccn3)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102921133	QFFGKLXBCQOINC-UHFFFAOYSA-N	538.678	1.783	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1	103012321	JUIVPTFWSRTKMV-UHFFFAOYSA-N	539.614	1.401	0	40	KDAB	
CCCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	257299052	RONYVZVBGMZCPO-KMRXNPHXSA-N	563.659	1.510	0	40	KDAB	
O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCn2nnc3ccccc32)CCO1)N1CCOCC1	585283036	AUFUQYXSPUOZDB-SANMLTNESA-N	511.554	1.886	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1cc(Cl)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Cl	1728156	WGCHJFVQYMDTAB-LBPRGKRZSA-N	523.337	1.575	0	40	KDAB	
CN1C(=S)N(CCCN2CCOCC2)C(=O)/C1=C\c1ccc(/C=C2\C(=O)N(CCCN3CCOCC3)C(=S)N2C)cc1	35982602	QYPQLCQTNOYDRH-CDTUYSNOSA-N	612.822	1.931	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140766	WUPQCQVHEMIOLC-UHFFFAOYSA-N	536.618	1.220	0	40	KDAB	
CCCCN1[C@H]2OC(C3O[C@@H]4[C@@H](O3)N(CCCC)S(=O)(=O)N4CCCC)O[C@@H]2N(CCCC)S1(=O)=O	98003591	RHDVHUPVZSQBQH-XLLXOSNRSA-N	554.732	1.962	0	40	KDAB	
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1	224239982	PTHMRCQEGJJRRJ-UHFFFAOYSA-N	523.677	1.982	0	40	KDAB	
NCCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)cc1	257332803	XYSFRVRVKPBHCA-CLOIUZTFSA-N	508.575	1.302	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1	260719645	KXSKALAFLKDSQB-VWNXMTODSA-N	503.621	1.952	0	40	KDAB	
COc1cc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OCCN1CCC(C)CC1	585274411	WFLUWJLLDGCBGJ-NOZRDPDXSA-N	504.653	1.600	0	40	KDAB	
CSc1ncnc2c1ncn2[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	5665533	ZUKZORCLTQPHLY-WGLQCKHLSA-N	586.645	1.700	0	40	KDAB	
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	38152204	UACBQAMGAMPAOD-UHFFFAOYSA-N	542.058	1.896	0	40	KDAB	
COC(=O)[C@@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@H](C)C(=O)OC)CCOCC1	101102712	VGEUTDRVGKPAOX-LRSLUSHPSA-N	530.659	1.378	0	40	KDAB	
COCCn1/c(=N\C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21	101116830	UWVCGZVTVWIRMF-XTQSDGFTSA-N	527.646	1.687	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6547201	TYWHYQDKSPYIBK-SFHVURJKSA-N	517.589	1.962	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	6905093	DCALRFCSNSMBRK-FQEVSTJZSA-N	529.575	1.698	0	40	KDAB	
CCOC(=O)c1cnc(SCC(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc1N	12524915	NTQAFVPYXMYAGS-OAHLLOKOSA-N	514.626	1.219	0	40	KDAB	
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2=O)cc1	14086219	FQHFSWUQIZXVJH-VWLOTQADSA-N	514.604	1.612	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1	38152342	JRWZZLXFRCVKMR-FQEVSTJZSA-N	538.644	1.708	0	40	KDAB	
O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NC(=O)CCCNC(=O)OCc1ccccc1	100187435	HXSBEQPYZYHYRX-UHFFFAOYSA-N	556.565	1.022	0	40	KDAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224443669	KNFAPQYINOGSRH-SFHVURJKSA-N	541.648	1.066	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCC(N)=O)C2=O)o1	409400927	VPKWUWXTQHFELT-MLPAPPSSSA-N	508.281	1.794	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565681	HHCLRDYCKJLUDG-KJOQGJGQSA-N	543.709	1.939	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1	2730770	UYNAOHKTVNWMQR-XJKSGUPXSA-N	515.042	1.844	0	40	KDAB	
Nn1cc(-c2ccccc2)nc1SCC(=O)NCCNC(=O)CSc1nc(-c2ccccc2)cn1N	14092759	JRNVPGPKZDYWJL-UHFFFAOYSA-N	522.660	1.958	0	40	KDAB	
NS(=O)(=O)c1ccc(N2C(=O)C[C@]3(CSc4[nH]c(=O)sc4[C@H]3c3ccccc3O)C2=O)cc1	32594751	AKQCJONANXRDRJ-IIBYNOLFSA-N	503.583	1.977	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)ccc1OCC(=O)N1CCOCC1	32990801	DSGDCFHWCQIIEH-UHFFFAOYSA-N	531.631	1.696	0	40	KDAB	
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70707019	UGOUFGFCPZDETB-PUZWTLIVSA-N	528.565	1.790	0	40	KDAB	biogenic
C[C@H]1CN(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)C[C@H](C)O1	102924324	CSFXNNNPOCCERY-BAMWUGHESA-N	537.616	1.327	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H](C[C@@H]23)[C@@H]14)[C@]5(O)[C@@H]6OC	249698255	VSUODASNSRJNCP-CILJEICISA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCCNC1=O	643566138	QEZWZOUWVGEFKS-CVDCTZTESA-N	549.628	1.017	0	40	KDAB	
C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	2061000235	KRQDMAXNTWLTDZ-XXALBOMESA-N	721.929	1.963	0	40	KDAB	
O=S(=O)(CCCCCC1=NCCN1CCO)CCCCS(=O)(=O)CCCCCC1=NCCN1CCO	4783011	SWBULGXXNBQQDH-UHFFFAOYSA-N	550.788	1.130	0	40	KDAB	
CCOc1ccc(CCNC(=O)COC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OCC	12911352	UCQLCUQVLJYCPM-UHFFFAOYSA-N	521.592	1.623	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16321726	BJNLCTXPPRPFFK-SWBPCFCJSA-N	517.940	1.676	0	40	KDAB	
O=C(NCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1	102937602	SXWYFFFYSCOLNJ-UHFFFAOYSA-N	603.767	1.443	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1	222570128	WAWFICAZXZTFNV-INIZCTEOSA-N	511.622	1.960	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	252694962	SKHJNNFXCKTDBG-JIHHFHFZSA-N	708.886	2.000	0	40	KDAB	biogenic
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@]3(C)CC4)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389412	KEBWMOINOKSPFY-RBJIURPBSA-N	941.118	1.260	0	40	KDAB	biogenic,in-vitro
C[C@@]1(O)C[C@H](O)CN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1n1cnc2c(N)ncnc21	257213143	CGIOSZIKYDNRDO-QURLWZIUSA-N	504.473	1.363	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	575426597	WNJLDPBPWUKLNP-ZEQRLZLVSA-N	582.678	1.858	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)CC(=O)N(CC)CCOc2ccccc2C(=O)N1	643570891	WJMQSQRNGBSZBA-QHCPKHFHSA-N	524.618	1.598	0	40	KDAB	
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(N)=O)C1	4177761	MTYDJQFETSLDJS-UHFFFAOYSA-N	524.665	1.761	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6546615	MKRHJHCAFMUBQW-JOCHJYFZSA-N	555.613	1.904	0	40	KDAB	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	103014575	XYYWLGZWYPUEBN-VWLOTQADSA-N	530.603	1.900	0	40	KDAB	
O=C1c2c(cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2O)O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@H](O)C3)O[C@@H]2c1ccc(O)cc1	253388336	MYIUHDZRMLFLNJ-HGKOCNJISA-N	704.637	1.371	0	40	KDAB	biogenic,in-vitro
COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC1=N[C@H]2[C@H](C(=O)N(C)C(=O)N2C)N1C	408846483	SOWAOHYNVMQDIF-WJZSJHQNSA-N	518.555	1.364	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c3c1OCO3)CCN(C)C2	524730724	UNFFOMLZDWDLKT-UHFFFAOYSA-N	517.560	1.287	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)c3ccccc32)cc1	3274522	RSNPRDVTJOLARJ-JJIBRWJFSA-N	568.633	1.995	0	40	KDAB	
CCN(CC(=O)NCc1cccs1)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	13128901	IPQHOXYJFMIJHJ-UHFFFAOYSA-N	510.638	1.354	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)s2)cc1	33355211	KRLQPFSHVVLBSL-UHFFFAOYSA-N	574.713	1.295	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4c(OC)cccc4OC)CC3)nc21	97951615	FLSZTGZXWRKORK-UHFFFAOYSA-N	526.575	1.364	0	40	KDAB	
CCN1C[C@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@H]23)[C@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)[C@@H]2OC	100392471	VSUODASNSRJNCP-MNZCKSJBSA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
O=C1c2cc(S(=O)(=O)NCC(=O)N3CCCCC3)ccc2-c2ccc(S(=O)(=O)NCC(=O)N3CCCCC3)cc21	102415405	CSXPPLKQMHLTTH-UHFFFAOYSA-N	588.708	1.480	0	40	KDAB	
C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2	110518948	FYSGSJYHTVGYLT-BPBCIEFSSA-N	506.669	1.897	0	40	KDAB	
CC(=O)OC[C@H](CNC(=O)c1c(I)c(N)c(I)c(C(=O)N(C)C[C@@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O	150342745	HEHGJKXXZCQSIS-GJZGRUSLSA-N	887.200	1.874	0	40	KDAB	in-vitro
CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(Nc2cc(Nc3ccc(Cn4cncn4)cc3)ncn2)c1	205080969	YHLAIBLFJKKNFB-UHFFFAOYSA-N	514.593	1.915	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@H](CC(N)=O)C(=O)O)C3=O	1775964096	RNPMSPOQHSSJPQ-OXNMCZQYSA-N	516.591	1.554	0	40	KDAB	biogenic,in-vitro
COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc(S(=O)(=O)NCc2ccco2)c1OC	12620708	WHBVEAFVRFNAJE-UZYOAWRESA-N	507.521	1.272	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O	12884974	SYRLGRSPYCBUON-FKBYEOEOSA-N	506.559	1.690	0	40	KDAB	biogenic
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	13636455	XYIJLIYBSRJAKU-HSZRJFAPSA-N	527.025	1.776	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1	20031857	WYXQWNXIEOBNLM-UHFFFAOYSA-N	509.650	1.971	0	40	KDAB	
Cc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc12	94303149	FMPLVZPGUJCCCC-FOIJVJNNSA-N	822.861	1.462	0	40	KDAB	in-vitro
CC(=O)N[C@@H]1[C@H](OC(=O)c2ccc3ccccc3c2O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216306166	YRCXXSRBHWKKJC-LGHHVWCKSA-N	517.487	1.358	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1	222873137	UGKOIACBTGENJV-NRFANRHFSA-N	548.681	1.922	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643566752	VLOVCSPULJEFCG-SFTDATJTSA-N	503.644	1.063	0	40	KDAB	
CN1CC2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037946902	WUXZYHHQUDWWGY-FCHUYYIVSA-N	510.587	1.772	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)cc4Br)[C@@H]3SC2)s1	2735414	AHEMKARJZWJBKW-YGRLFVJLSA-N	531.439	1.487	0	40	KDAB	
CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccccc1	12550523	KDEMPESRLXYZQO-QFIPXVFZSA-N	501.605	1.947	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC	59838300	YMDGRADUCXGSFR-OAQYLSRUSA-N	533.628	1.557	0	40	KDAB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO	77319310	FHNOSGJSTZJIRI-RVBRMEHISA-N	510.624	1.484	0	40	KDAB	in-vitro
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1	103096861	BGXVHTNULIODCU-UHFFFAOYSA-N	538.506	1.215	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	103553211	VJJPUSNTGOMMGY-YRVHLMAVSA-N	588.562	1.339	0	40	KDAB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	150340546	NONBZTYCHSGHGG-KRCBVYEFSA-N	784.783	1.028	0	40	KDAB	
COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224253617	WVEMYGRQWPZOAD-KRWDZBQOSA-N	513.638	1.604	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1	224302296	RABWRRBCGFDXFW-UHFFFAOYSA-N	517.576	1.711	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389354	ISTWCKNDZOSMPU-KHLDATFMSA-N	927.135	1.732	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	263583685	TUVXUUXKYMTPSP-GJDADIIZSA-N	983.155	1.277	0	40	KDAB	
CC(C)c1ccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(S(=O)(=O)c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	575421282	OATYZJWKZSTSQS-YOXCBORPSA-N	630.832	1.960	0	40	KDAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC	575423494	FOOPVKYQXVIMDW-VWLOTQADSA-N	646.766	1.167	0	40	KDAB	
CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)CC1	643566800	KICWJLKJDUAIGN-STXQHDJLSA-N	589.693	1.367	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2cnc[nH]2)C1=O	643568136	LGGQZLGMQRUVTN-GOTSBHOMSA-N	583.045	1.325	0	40	KDAB	
CN(C)CCN1CCN(C(=O)CN2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)CC1	643575989	VGWXTVLCQXWRDK-UHFFFAOYSA-N	510.639	1.346	0	40	KDAB	
COc1cccc(CN2CCN(CC(=O)N3CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]3CC(C)C)CC2)c1	643586677	NAYXWIMCFVWDDV-HZDWXICMSA-N	606.805	1.452	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4cc(C(F)(F)F)n(C)n4)[C@H]3SC2)s1	2784471	UBCVIZOUWJWXJW-IINYFYTJSA-N	520.540	1.743	0	40	KDAB	
CN1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	22933852	KGQJFKIYYUCMBW-UHFFFAOYSA-N	506.600	1.546	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@@H]1C	66128739	NKSNFLQUMWGDHQ-GFCCVEGCSA-N	546.396	1.145	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	210736954	ZNEFJJZUQOVRMA-DGGPYNQQSA-N	522.535	1.990	0	40	KDAB	
COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222932475	WMKZCFGJNOWMRA-FQEVSTJZSA-N	549.646	1.275	0	40	KDAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	225135681	SZIBHNPJKAEDSY-NRFANRHFSA-N	511.622	1.899	0	40	KDAB	
CCOc1cc(CNC[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585274444	WWOIGXJPEUHORQ-SANMLTNESA-N	500.644	1.383	0	40	KDAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CC(=O)N2CCC[C@H]2C(=O)N1	643565826	OJRGIQZJMGBQEQ-PUHATCMVSA-N	536.633	1.238	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566790	WLTZXMJDLCOJCN-DQEYMECFSA-N	562.598	1.746	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](C)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC	643569187	ZYDDKCNNHOXAPG-RXVVDRJESA-N	540.617	1.297	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)COc1ccc(I)cc1	627234	BCIHRYHLTRORNG-CQSZACIVSA-N	525.347	1.458	0	40	KDAB	
CN1C(=O)C(Cc2ccc3c(c2)OCO3)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C1=S	2119091	OWXRIQCFUZEGMS-QZTJIDSGSA-N	508.600	1.441	0	40	KDAB	
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)N1CCOCC1	4277978	JJQVVXDJLFORJO-DNQXCXABSA-N	550.591	1.098	0	40	KDAB	biogenic,in-vitro
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2	14399761	BBWWLHPBZYBQDC-UHFFFAOYSA-N	525.605	1.274	0	40	KDAB	
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(c4ccccn4)CC3)CC2)c1	67337442	PXVNIFVPBUHJLX-UHFFFAOYSA-N	523.663	1.905	0	40	KDAB	
Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@@]2(C)O4)no1	245229966	JAHWIZMBXJXWMQ-CGCPKYHLSA-N	506.559	1.958	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@](O)(C[C@H]32)[C@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@]1(O)[C@@H]2OC	247968728	XTSVKUJYTUPYRJ-VFLOLBSSSA-N	600.709	1.337	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)N(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	258840260	ZKSDGOCADPXMKW-XLIKFSOKSA-N	632.707	1.822	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N[C@H]3C[C@@H](C(=O)NC[C@H]1O2)N(C1CCC(F)(F)CC1)C3	514287600	PONSJNUKCNTGQE-OYZJRVCWSA-N	584.686	1.801	0	40	KDAB	
COCCN(C)CC(=O)N1CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)C[C@H](C(C)C)[C@H]1c1cccc(OC)c1	643550786	XLKZHRIFYBSNLA-UYGYGLPYSA-N	595.778	1.811	0	40	KDAB	
O=C(O)COCC(=O)N(CCOCCN(Cc1ccccc1)C(=O)COCC(=O)O)Cc1ccccc1	5941406	GYRKUHYKCILIAT-UHFFFAOYSA-N	516.547	1.263	0	40	KDAB	
C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	14356799	YQDXRWCJEIWRFC-APWZRJJASA-N	521.617	1.944	0	40	KDAB	
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1	22609499	WYXCXHHTQYUORS-QHCPKHFHSA-N	521.618	1.506	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@H]3CN1CCN(C(=O)c2ccccc2)CC1	70665902	OODLPYNTTOEQHX-SLMCZFSBSA-N	556.656	1.893	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224345381	ICKPYDXTLWAUBU-UHFFFAOYSA-N	539.676	1.858	0	40	KDAB	
O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	224454356	GMOOVTJFVSQVDZ-UHFFFAOYSA-N	505.412	1.827	0	40	KDAB	
C[C@@H]1C(=O)O[C@@H]2[C@@H]1O[C@@]13O[C@@]4(CC[C@]5(C)C(=O)[C@H](C)[C@@H]2[C@@H]51)C[C@]12OC(=O)C[C@@H]1OC(C)(C)[C@@H]2C[C@H](O)[C@@H]4C3=O	247933221	CWFGQJNQESAHDH-RCKBDAOGSA-N	544.597	1.483	0	40	KDAB	biogenic
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)c(OC)c1	408656642	NRTIPQNJAIXRQF-CQSZACIVSA-N	501.492	1.396	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccncc3F)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548889606	ICZZZLKNYNPAHT-IRLDBZIGSA-N	585.662	1.074	0	40	KDAB	
COc1cc(C(C)=O)ccc1COc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC	2653291	OIYVCIXAKNLPAF-UHFFFAOYSA-N	525.514	1.505	0	40	KDAB	
O=C(O)c1ccccc1C(=O)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12	4147912	JYNGNBIULAHRHM-FNAHDJPLSA-N	522.518	1.138	0	40	KDAB	biogenic,in-vitro
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	12864973	NDZHVBKIFZZSOO-SOKVYYICSA-N	511.575	1.047	0	40	KDAB	biogenic
CCOC(=O)/C=c1\s/c(=C/c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1	33451227	ULMUPZZWZLDALZ-NKKSASCVSA-N	508.596	1.520	0	40	KDAB	
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	40165260	WVTMNZAPPOMZST-WELFKMMPSA-N	506.592	1.611	0	40	KDAB	
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	67902725	YXSQSVWHKZZWDD-NVDHDVETSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
COc1ccc([C@H]2N[C@H]2C(=O)c2ccccc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1	102324038	IOUUNJFANNRICA-DEIOGBQWSA-N	598.605	1.626	0	40	KDAB	
COCC(=O)Nc1c(I)c(C(=O)NC[C@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)N(C)C[C@H](COC(C)=O)OC(C)=O)c1I	150351038	VJZHCBDXXCGMJR-IAGOWNOFSA-N	959.263	1.877	0	40	KDAB	in-vitro
COc1cccc(CN2CCN(CC(=O)N3CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@H]3CC(C)C)CC2)c1	643586678	NAYXWIMCFVWDDV-SSKIFPDDSA-N	606.805	1.452	0	40	KDAB	
COc1cccc(OCC(=O)N2CCC3(CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC(=O)N(C)C3)c1	2037946917	ZNHDCTBGEOVOAY-BJKOFHAPSA-N	512.603	1.888	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	1843792	CCYWDAUQRFJMIP-QQYUXEJHSA-N	598.593	1.423	0	40	KDAB	
CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666507	HMBWYJAUZCLVCT-UHFFFAOYSA-N	522.591	1.293	0	40	KDAB	
CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1	32811081	VAVAMGPXQPHMEK-XMMPIXPASA-N	500.577	1.385	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1	38784302	IPZYIOLVQQLEDC-QHCPKHFHSA-N	525.581	1.480	0	40	KDAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222708794	LKNPSQOTRXLIIG-QFIPXVFZSA-N	516.664	1.314	0	40	KDAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1	224456861	ZPOYIESNERTWGI-UHFFFAOYSA-N	537.660	1.609	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCC1	224457301	PHFDVTVAPYONCV-UHFFFAOYSA-N	553.659	1.309	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643566844	KQJXXVPLEWKQRP-DQEYMECFSA-N	551.688	1.649	0	40	KDAB	
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C	1570006795	DUXHVCKABSGLJH-CKMPENFSSA-N	512.640	1.418	0	40	KDAB	in-vitro
Cn1c(=O)c2c(ncn2CC(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2Cl)n(C)c1=O	1329601	PAKNICGIQUUGSR-UHFFFAOYSA-N	500.987	1.565	0	40	KDAB	
CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)C2)cc1	5396821	QHRVANQOGWXFHP-IZLXSDGUSA-N	602.717	1.962	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	5460419	LUFBUJPRIKZREA-VXKWHMMOSA-N	524.530	1.947	0	40	KDAB	
COC(=O)[C@@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCC1	9358189	VGEUTDRVGKPAOX-MYGLTJDJSA-N	530.659	1.378	0	40	KDAB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	12561590	KBYIMJGGLUYTLR-RMKNXTFCSA-N	521.617	1.380	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1	13134874	BKZYFLNRUZJXTD-NRFANRHFSA-N	501.561	1.510	0	40	KDAB	
CN(C)C(=O)c1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	38140477	GFUOQDJZIXOQPE-UHFFFAOYSA-N	531.587	1.742	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)c(NS(C)(=O)=O)c3C)CC2)c(C)c1NS(C)(=O)=O	98009028	HNAMNMIKLYWQPS-UHFFFAOYSA-N	622.813	1.749	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)ccc1-n1cnnn1	100446129	ZVFQHEKUXPYZOL-UHFFFAOYSA-N	566.579	1.667	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	215990405	DQYRVEQDPXIVLU-UHFFFAOYSA-N	547.615	1.868	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	575426334	RETZWXQMHJEBFA-IZZNHLLZSA-N	696.782	1.775	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N[C@@H](c2ccccc2)C(=O)N(C)CC(=O)N1	643571840	KSOQKRMTBLVORA-XKVYUHEQSA-N	657.772	1.953	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4ncc(Cl)c4C)[C@H]3SC2)s1	2732737	CMDBCEFATJNRLA-IUODEOHRSA-N	501.015	1.536	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1cc(OC)ccc1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6546612	NKAXCQUDYGXIKT-JOCHJYFZSA-N	571.612	1.917	0	40	KDAB	
CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)O	8791495	PINOSKUWZDNSAQ-ICSRJNTNSA-N	518.611	1.541	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	20030835	HLACHBLSPWFLPJ-UHFFFAOYSA-N	511.622	1.425	0	40	KDAB	
O=S1(=O)C[C@H]2SC(=S)N(CCCCCCN3C(=S)S[C@H]4CS(=O)(=O)C[C@H]43)[C@H]2C1	33675347	OWJNEVVWEFAPIV-LVEBTZEWSA-N	500.780	1.545	0	40	KDAB	
O=C(CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12)N1CCOCC1	100201865	FNNKSNDAVJMNBK-ZTFZWQTPSA-N	514.582	1.761	0	40	KDAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	100368926	WPECKHNDSQTVSL-UHFFFAOYSA-N	534.529	1.780	0	40	KDAB	
O=C(NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	102932631	MRSJWKJZUKVHMD-UHFFFAOYSA-N	532.644	1.269	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	255997336	QOACISSHGAAMLK-DPZPVXIMSA-N	683.667	1.141	0	40	KDAB	
Cc1cccnc1CN1CCC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888821	BAKZFUKCAGVKOK-CTNGQTDRSA-N	500.621	1.447	0	40	KDAB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1OC[C@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O	2037879643	IRROQPJTFWSRBR-ALALXSPKSA-N	505.999	1.993	0	40	KDAB	
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1=C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H](O)C1	4221814	DSEHOLQUGMFTMY-IYWMVGAKSA-N	538.479	1.046	0	40	KDAB	biogenic,in-vitro
CN1C[C@@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	53059288	XCGSFFUVFURLIX-RGHLWBTQSA-N	581.673	1.991	0	40	KDAB	in-vitro
CC(C)(C)NC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	73096125	LHHCSNFAOIFYRV-STEXWYFWSA-N	519.687	1.711	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100248084	QACCEXUDTIMBQQ-YCVVXREPSA-N	562.395	1.214	0	40	KDAB	
COC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C	103556757	PVXVBVRGZUTEDV-SQGPQFPESA-N	594.662	1.735	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170623038	WAEKSZJQJUDRCQ-VAFBSOEGSA-N	565.553	1.736	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N(Cc2ccccc2)CC1=O	643571893	PPBRFHCJPDAVQC-RSXGOPAZSA-N	586.645	1.867	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643580852	VUSRVFSIOHTVNW-RRPNLBNLSA-N	602.754	1.618	0	40	KDAB	
COCCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3411630	ZPCWWWHJJVTMRH-UHFFFAOYSA-N	543.009	1.568	0	40	KDAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	4016602	ARFLLJAVJWZYBL-BDTNDASRSA-N	540.617	1.383	0	40	KDAB	
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)c(Cl)c1	13016048	PUFSDGRTWNANEC-UHFFFAOYSA-N	510.377	1.491	0	40	KDAB	
COCCN(C(=O)COC(=O)CCCc1nc2ccccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	14129597	ZAQKQFHHWITALS-UHFFFAOYSA-N	517.608	1.930	0	40	KDAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080177	JLARNDZAFJYIIF-XXBNENTESA-N	519.562	1.843	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(=O)[nH]c1=O	32990894	BXNULKSVKYLEES-UHFFFAOYSA-N	527.669	1.233	0	40	KDAB	
C[C@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1	102961360	YWNOHPNAAAATNU-QEVSYEORSA-N	633.745	1.503	0	40	KDAB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	103105891	FIVCUAWBZNRQKQ-NRFANRHFSA-N	530.541	1.363	0	40	KDAB	
COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224288528	WZSUXNXMDZWERU-UHFFFAOYSA-N	511.622	1.441	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	225569196	SFSLRAJRXYKKOG-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
CC(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)[C@H](OC(C)=O)[C@H]1O	299817550	HVPKALQHGQMJER-NHXZEVTOSA-N	869.055	1.866	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643566024	UGHFZWGCTGLVQA-RRPNLBNLSA-N	593.725	1.705	0	40	KDAB	
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643570141	MLCXCIIULHSGPB-AHWVRZQESA-N	603.720	1.805	0	40	KDAB	
Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O	3360360	FPRPKXOTYMLJAN-UHFFFAOYSA-N	515.498	1.942	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339420	UVIIFDXFOSOVOQ-FOZARLDVSA-N	510.492	1.218	0	40	KDAB	
COc1ccc(S(=O)(=O)c2cnc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nc2N)cc1Cl	67336076	CSTAHSHOCDQZPL-UHFFFAOYSA-N	509.032	1.864	0	40	KDAB	
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(=O)N2CCOCC2)CC1)N1CCOCC1	98008993	XDMIAJCIGRHIPV-UHFFFAOYSA-N	735.665	1.554	0	40	KDAB	
CCOC(=O)c1sc2sc(C(=O)OCC)c(NC(=O)CN3CCOCC3)c2c1NC(=O)CN1CCOCC1	101659004	CTUKAXAFHATHSD-UHFFFAOYSA-N	568.674	1.858	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O	223186912	HAQUIKYJCDSNLI-GOTSBHOMSA-N	505.612	1.952	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1	260892487	ZBGFIMMGQXZWCV-IBGZPJMESA-N	509.650	1.841	0	40	KDAB	
CN(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1	13120204	HFWWPVZZUZFRHZ-ZBWUASRJSA-N	518.613	1.640	0	40	KDAB	
CS(=O)(=O)c1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	71772480	BHSGZQKWXZQDJO-UHFFFAOYSA-N	504.590	1.613	0	40	KDAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2CC(=O)OC)cc1	100876350	GIBKGZQLLPNBRJ-VHXPQNKSSA-N	521.617	1.900	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCCOCCOCCOCCOCC2)cc1	141918827	CFRCONBWQLQZFM-HHHXNRCGSA-N	564.701	1.810	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)c(OC)c3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(OC)c(OC)c1	143279403	DTROBLZEAWTRIP-DZSAKIAFSA-N	596.658	1.975	0	40	KDAB	
C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224344882	LQXAGAAAMHWGRH-SFHVURJKSA-N	525.649	1.829	0	40	KDAB	
Cc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224480467	CPOUOHXZICQSDP-UHFFFAOYSA-N	539.676	1.757	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226076932	JYUPOLDCFFJDKK-UHFFFAOYSA-N	537.660	1.230	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1	244998706	KQMAACARIGUOFC-UHFFFAOYSA-N	549.653	1.060	0	40	KDAB	
CN(C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CCC[C@@H](n2cnc3c(=O)n(C)c(=O)n(C)c32)[C@@H]1O	257306424	SUFORPVZQJONNF-BFYDXBDKSA-N	519.484	1.556	0	40	KDAB	
CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	260886095	DUYIBTDNPYBWFM-LJQANCHMSA-N	539.676	1.620	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCN(C)C1=O	643565519	IFOURFWJQBNOES-VQTJNVASSA-N	580.608	1.979	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3OC)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1OC	1436627	OVECOZGWFQYZJK-BIRYMOPTSA-N	508.552	1.177	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC	8830368	YCHNNJUCKPRZLN-HXUWFJFHSA-N	556.435	1.288	0	40	KDAB	
O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	24750422	NAAFXEUPTYDVIN-UHFFFAOYSA-N	515.560	1.132	0	40	KDAB	
COc1ncc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F	95556669	KUGIFHQBIIHRIZ-ZDUSSCGKSA-N	517.591	1.749	0	40	KDAB	
COc1ccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2N)cc1	103066690	FDNRTENZDFLDSH-UHFFFAOYSA-N	534.620	1.428	0	40	KDAB	
C=Cc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	150381745	APIFRRYVTYJXCG-HCHLYACZSA-N	738.692	1.328	0	40	KDAB	
C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C	169365917	DIAQQISRBBDJIM-DRSCAGMXSA-N	910.079	1.585	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@@]45C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O	245205020	KYWSCMDFVARMPN-QWKFQEFKSA-N	780.993	1.777	0	40	KDAB	
CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O	257234727	GUWDNOKQDGQMDA-GKJHBJHPSA-N	525.610	1.895	0	40	KDAB	
CC(=O)N[C@H](C(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)[C@@H](C)O	2037829052	HWCSJQGSPXFGNB-HAARDXOJSA-N	554.688	1.080	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	2037916289	UWGOHFWTNJTVPE-DQEYMECFSA-N	565.671	1.061	0	40	KDAB	
CC/C(C)=C1\OC(=O)[C@@H](C)[C@@H](O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O	4774077	WHIKSLGSXKIHCA-INLHBKEDSA-N	540.573	1.178	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	59853619	HYDATERYPGZGNF-MRXNPFEDSA-N	529.662	1.817	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O	224333358	UTUKMUWEDSOUOR-QGZVFWFLSA-N	513.613	1.960	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@H](C)CC	245377516	MACRWUZSSFLAMW-FDCFHUKCSA-N	585.702	1.852	0	40	KDAB	
CC(C)(C)OC(=O)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](n4cc(CN5CCOCC5)nn4)[C@@H](CNC(=O)[C@@H]2C1)O3	253405049	RSJWDOUFIJQEQW-JGDRUYDSSA-N	639.754	1.859	0	40	KDAB	
O=S1(=O)C[C@@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)C1	575420856	FSDQXHXYUMPUOL-ZWKOTPCHSA-N	632.374	1.339	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21	5665516	LHBZUQKAJBVIPP-ZQWWELHWSA-N	574.996	1.631	0	40	KDAB	
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5741599	JQKUHJFIWBKHQF-CJSSEVFESA-N	571.222	1.431	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@H](C(=O)O[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2c2cccs2)cc1	13108059	LJYLXPQLTRSJMR-IIMJZQEZSA-N	510.572	1.945	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	67337204	XZBIGJUITZWCCN-UHFFFAOYSA-N	525.031	1.499	0	40	KDAB	
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	103090836	QNXRPNYCMYZPLM-UHFFFAOYSA-N	555.565	1.993	0	40	KDAB	
O=C(c1ccc2c(c1)OCCOCCOc1cc(C(=O)N3CCOCC3)ccc1OCCOCCO2)N1CCOCC1	104403083	IBCAAGYNQACABJ-UHFFFAOYSA-N	586.638	1.894	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	224228315	DJOWZBSCXIDOSV-UHFFFAOYSA-N	527.621	1.407	0	40	KDAB	
Cn1c([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	245230717	XKUFXZVUJRSLRP-XMERXJNXSA-N	595.678	1.762	0	40	KDAB	
Cc1cn([C@@H]2C[C@@H](CN(Cc3ccccc3)C(=O)CCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H]2O)c(O)nc1=O	257207067	BGEVEWXSEALHBV-KKSHJYNMSA-N	530.622	1.874	0	40	KDAB	
CCCn1c(=O)c2sccc2n2c(CCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nnc12	9319178	LFSQRPXJJXGTCJ-UHFFFAOYSA-N	502.622	1.845	0	40	KDAB	
CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666521	PUPSBFCMCZKCLJ-UHFFFAOYSA-N	522.591	1.293	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2	224387150	POGAUGICHSEOKF-UHFFFAOYSA-N	567.686	1.984	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389467	MIPXDZVPQOJPHM-UWAZYFJGSA-N	954.161	1.488	0	40	KDAB	biogenic,in-vitro
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	299817797	TUFDSEMWRYIOBO-ZZZZJJQRSA-N	799.008	1.328	0	40	KDAB	biogenic,in-vitro
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@@]2(C)CC[C@]24C[C@]25CC[C@@H](OC[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C(C)(C)[C@H]5[C@H](OC[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@]34C)O1	2060989887	JANVOMCWWGNAIZ-GQFZYLCPSA-N	827.062	1.199	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6547091	PERUKXOZEXGYJE-IBGZPJMESA-N	515.523	1.736	0	40	KDAB	
C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	14095655	FNMAXOUGBZTWSF-XMMPIXPASA-N	512.544	1.859	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2	14400856	LPPYYELCSQZKDZ-UHFFFAOYSA-N	503.577	1.687	0	40	KDAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	20611583	CYEDUMLTSBWXIT-XVIHEJCXSA-N	510.934	1.764	0	40	KDAB	biogenic
COCCN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23080009	KZZHRHPEQJKPGL-UHFFFAOYSA-N	505.531	1.414	0	40	KDAB	
CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C	58649691	NCFLEKZHRQALKT-UHFFFAOYSA-N	647.741	1.380	0	40	KDAB	in-vitro
CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccncc3)n2C(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712173	SYAJICIOKVGHIH-GJTYKATRSA-N	549.606	1.669	0	40	KDAB	biogenic
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	224311413	NICCVPWAANAUKO-UHFFFAOYSA-N	510.638	1.523	0	40	KDAB	
O=S(=O)(Cc1ccc(Br)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224464379	ZMYXNCOQINLKKE-UHFFFAOYSA-N	519.439	1.968	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	226364119	ODPZJAAJIRYNEL-LLVBAIKDSA-N	538.506	1.068	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]34C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O	253389059	VVWSVSOPOPDXMM-XLTZFPMNSA-N	941.118	1.825	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3C(=O)NC[C@H]1O2	253408906	YXYYPUZKGUXMRI-RBYFDUNASA-N	598.722	1.368	0	40	KDAB	biogenic
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	584578863	BVDGQVAUJNUPGW-JABKWGMFSA-N	646.642	1.058	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(O)cc1	1820105	BJFGZGHWRNMLLN-CWDSQJGSSA-N	508.552	1.351	0	40	KDAB	
NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	13814593	JZNCEZGBNNZBDQ-JLFWUPFSSA-N	500.486	1.798	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	26111164	PCWYFAYPKJROHG-SFHVURJKSA-N	523.633	1.756	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)CC2)cc1	66128640	SUCQDMFRLDBTSJ-WOJBJXKFSA-N	579.697	1.808	0	40	KDAB	
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	77285211	RGWIRVSYWBHDIC-NUPXYHBHSA-N	616.587	1.567	0	40	KDAB	in-vitro
C[C@@H]1CCOC(=O)/C=C/C=C/C(=O)O[C@@H]2C[C@H]3O[C@H]4[C@H]5O[C@]5(C)CC[C@@]4(COC(=O)[C@@H]1O)[C@@]2(C)[C@@]31CO1	100623161	CLNDGDZYSDRNSO-IVCQFEJBSA-N	518.559	1.382	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	224983933	MJHJUHFVDOVWAJ-UHFFFAOYSA-N	518.013	1.629	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@@H]2[C@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H](O)CC4=CC[C@@H]5[C@H]6C[C@H]7O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]5[C@]43C)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	253612219	CJEFMQWHKUPVBZ-LMHDBBMVSA-N	897.065	1.422	0	40	KDAB	biogenic,in-vitro
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)S(C)(=O)=O	260714595	DBZGQCNYIMKZNR-DEOSSOPVSA-N	520.627	1.235	0	40	KDAB	
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	408686755	SSSLRYGEJLZKRM-DWSTVDDDSA-N	525.646	1.883	0	40	KDAB	
NNc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)cn1	585656271	KYLABLZWEPFTQV-BVEPWEIPSA-N	847.927	1.079	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cccc(OC)c2)CC1	20084257	ZZEWGGJPIRJUKP-XMMPIXPASA-N	519.562	1.810	0	40	KDAB	
COCCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994532	AXIFFBRKYXHYFT-UHFFFAOYSA-N	505.531	1.869	0	40	KDAB	
CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38146214	JOTVFYXEFJAEPH-UHFFFAOYSA-N	594.616	1.545	0	40	KDAB	
COc1cc2c(cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2	77287221	GUJDLRRGLWFUSI-DOGAPSHYSA-N	541.597	1.624	0	40	KDAB	in-vitro
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCOCC1	224239259	KWSVJKOFDJHZDY-UHFFFAOYSA-N	543.689	1.489	0	40	KDAB	
C[C@H](O)[C@@H]1C[C@H]([C@](C)(O)[C@@H]2CC[C@]3(O)C4=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@H]1C	257533927	RPCTUYZLPGGPJD-ZFYCFGJYSA-N	520.663	1.891	0	40	KDAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585272166	GSXNGZVTDLHGDN-MUUNZHRXSA-N	526.634	1.500	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566054	UZMBQOXUHMYQJX-WIOPSUGQSA-N	508.619	1.916	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N[C@@H](CCC(N)=O)C1=O	2037916304	BZJBUZRVSWNREC-VXKWHMMOSA-N	569.634	1.009	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccco2)CC1)OCO3	20084322	PAWHLWBDRDWWJJ-CYFREDJKSA-N	519.562	1.923	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	66113483	RTBNKLLPRNRBNN-UHFFFAOYSA-N	558.078	1.906	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cc(OC)cc(OC)c4)CC3)nc21	97951658	CVCGEFZTNYRKRQ-UHFFFAOYSA-N	526.575	1.364	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(S(N)(=O)=O)ccc21	100877458	SOLJMSNXJRVLMT-LNVKXUELSA-N	509.562	1.680	0	40	KDAB	
O=C(Cn1nnc(-c2ccc(OCCOCCOc3ccc(-c4nnn(CC(=O)NC[C@H]5CCCO5)n4)cc3)cc2)n1)NC[C@@H]1CCCO1	150371225	JZPIGPJPXIILGC-HNRBIFIRSA-N	676.735	1.058	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	226056851	PMFGYXQEMLUMLR-UHFFFAOYSA-N	525.649	1.468	0	40	KDAB	
O=C(CN1CCCCCOc2ccccc2N(CC(=O)N[C@H](CO)Cc2cnc[nH]2)c2cncc(c2)C1=O)N[C@H](CO)Cc1cnc[nH]1	643584704	HXCMLWVXTVUYFA-SVBPBHIXSA-N	659.748	1.110	0	40	KDAB	
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(C)=O)([C@@H](O)[C@H]6OC)[C@@H]([C@@H](OC)[C@H]13)[C@H]4N(C)C2	1857787595	FIDOCHXHMJHKRW-PBEVAHOCSA-N	615.720	1.287	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6904986	JWCVTKVKTYSBLD-HXUWFJFHSA-N	527.559	1.452	0	40	KDAB	
C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2	16044758	CFAZKIQGIOILHV-YKSBVNFPSA-N	517.629	1.670	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nnc(C(F)(F)F)s3)CC2)cc1	17206807	ROEAQWJIWBPMAM-UHFFFAOYSA-N	507.516	1.817	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621338	QKPHMWUSYGCZRT-MASCHLQQSA-N	574.535	1.985	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1	224245417	OKCDIODYUAENDN-LJQANCHMSA-N	518.013	1.313	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	224473022	MXOLBBUXWVQCJL-SFHVURJKSA-N	543.689	1.365	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	224485146	ZGCSEVLHCOHJFV-HSZRJFAPSA-N	539.676	1.756	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	224500205	BVZJBKHHVINJDB-FQEVSTJZSA-N	537.660	1.303	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4cccnc4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253402347	ODPVUCCLAUERGT-CLWAWUJFSA-N	630.750	1.520	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576404	XAHAWMZZNKYXCC-CAVYSCNFSA-N	614.703	1.060	0	40	KDAB	
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	4994453	HZASFOJVNSQXLC-XPWALMASSA-N	513.591	1.705	0	40	KDAB	
O=C1C(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(=O)C(=O)N1C[C@H](O)COc1cccc2ccccc12	8440173	SGRXXBMKPVPAQD-SZPZYZBQSA-N	542.544	1.897	0	40	KDAB	
Cn1c(=O)c2c(nc(NCCc3ccc(S(N)(=O)=O)cc3)n2Cc2ccccc2Cl)n(C)c1=O	8774906	QMWBXQHMWYIGMH-UHFFFAOYSA-N	502.984	1.437	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)CC2)cc1	8918489	FZRRYCKEUZMCIX-JTSKRJEESA-N	517.604	1.418	0	40	KDAB	biogenic
Cn1c(=O)[nH]c(=O)c2c1nc(N[C@H](Cc1ccccc1)C(=O)O)n2C[C@@H](O)COc1ccc(Cl)cc1	10274134	FVRFBKRLIYDGTE-SJLPKXTDSA-N	513.938	1.624	0	40	KDAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)CC2)cc1	12890281	HGBBQKDZHRUPCZ-VWLOTQADSA-N	512.588	1.498	0	40	KDAB	
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2C)cc1	15019508	TYKOHKJKTOVNDN-HXUWFJFHSA-N	528.610	1.867	0	40	KDAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	16033756	VRFOWJNWBITJLS-SJFBNKFASA-N	510.934	1.610	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(NCCOC)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(C)cc1	100239402	LRCPOZUEDCUWOW-IBGZPJMESA-N	539.593	1.014	0	40	KDAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223399857	LDMVYDQAQVMKFC-HXUWFJFHSA-N	505.593	1.786	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	224441764	KEJXAOODZZOJPG-UHFFFAOYSA-N	576.491	1.431	0	40	KDAB	
CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	224498590	OGWVSXGYHHRVFK-UHFFFAOYSA-N	543.689	1.245	0	40	KDAB	
Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC[C@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc21	2037879925	XQRPPLNHGALTQR-SSEXGKCCSA-N	560.655	1.783	0	40	KDAB	
COc1cccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c2Cl)c1	3365494	NZFWKQYLMGXAKD-CMDGGOBGSA-N	501.927	1.321	0	40	KDAB	
CCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)[C@H]1CCS(=O)(=O)C1	17466417	YJBMWQFRTRCKMD-SFHVURJKSA-N	536.628	1.639	0	40	KDAB	
CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	70712262	BAGALEQQJQOATL-MRPKTGBJSA-N	578.644	1.934	0	40	KDAB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(Cl)cc2)cc1	100173115	YCFVQTFMTLJXGE-HXUWFJFHSA-N	557.894	1.826	0	40	KDAB	
CCCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@@](O)(C[C@H](O)C[C@@H]3O[C@@H]3C=CC(=O)O1)C[C@@H](O)[C@H]2C(=O)O	255988649	MUAOHYJGHYFDSA-BZVPJYMHSA-N	707.814	1.290	0	40	KDAB	
C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)CC1CCN(c3cccnn3)CC1)CC2	643564150	PCUPQFAUQBNOHC-FQEVSTJZSA-N	500.644	1.513	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	1569985895	XCLJRCAJSCMIND-IMGXTDJLSA-N	734.969	1.544	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20031499	GNUOAVGKJDGHMH-QGZVFWFLSA-N	511.622	1.089	0	40	KDAB	
Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)NCc3ccc(Cl)cc3)nc12	64581363	QYVCMDRPUWWPBI-UHFFFAOYSA-N	508.966	1.990	0	40	KDAB	
COc1ccc2c(C)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCC(=O)NCC(=O)O)c(=O)oc2c1	70706017	XKPUEEAIMDQCPI-NRFANRHFSA-N	555.609	1.388	0	40	KDAB	biogenic
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712221	YTBVPOCZQCDXAS-LBRNTXKHSA-N	564.617	1.451	0	40	KDAB	biogenic
Cn1c([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100377891	XKUFXZVUJRSLRP-GOHWNWGWSA-N	595.678	1.762	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102327847	NOKCKQRHADLYOG-RXYWMYFISA-N	565.572	1.398	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1N1CCCC1=O	224318310	VUBFGDMVUMVABK-UHFFFAOYSA-N	523.633	1.964	0	40	KDAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@H]2OC(C)=O)[C@@]4(C)O	257626172	XQDBHSNYTFRCNJ-TVRYUWNQSA-N	883.853	1.271	0	40	KDAB	biogenic
COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1	408579793	PAWGPCOFWMAWMA-HXUWFJFHSA-N	510.591	1.904	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643567010	PKXGUHQMYQVAFZ-DQEYMECFSA-N	549.672	1.356	0	40	KDAB	
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5741598	JQKUHJFIWBKHQF-FKICDVMDSA-N	571.222	1.431	0	40	KDAB	
O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1	20842085	XTDHEOGJUOXHII-JHFSOIRNSA-N	512.566	1.387	0	40	KDAB	
CC(=O)c1cccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1	32971947	WLQSLKDHAYPJQG-UHFFFAOYSA-N	501.584	1.504	0	40	KDAB	
COc1ccc(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	32988033	AKIQXJLXVZKXII-UHFFFAOYSA-N	502.998	1.954	0	40	KDAB	
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224328909	CSLAGQKMEKQYNB-UHFFFAOYSA-N	507.590	1.201	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	584578862	BVDGQVAUJNUPGW-DRAPFZQMSA-N	646.642	1.058	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN[C@@H](C)c2cc(O)n3nc(C)cc3n2)CCCCOC[C@@H](O)[C@H]1O	643586624	AXQVNLPFWYCXQO-XGZIFMMSSA-N	592.738	1.033	0	40	KDAB	
Cc1cc(C)c(C(C)(CS(C)(=O)=O)CS(C)(=O)=O)c(C)c1C(C)(CS(C)(=O)=O)CS(C)(=O)=O	1697533	HVTIGLDPBNNQQK-UHFFFAOYSA-N	544.779	1.306	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](Sc3ccccc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4403154	OJVHDCHVHOISBO-KNNGAAGUSA-N	728.722	1.398	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	5521450	IEPCYJLTAGEWNI-BBANNYIHSA-N	602.589	1.642	0	40	KDAB	
CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)n1	9404806	KQWUGIVZCSNIAI-UHFFFAOYSA-N	510.594	1.964	0	40	KDAB	
COc1ccc(-c2cc(CO[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1	100238933	RSFOBATZWJSMJB-KFEALIJWSA-N	535.502	1.950	0	40	KDAB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1	224406535	NCUMQCLXIRMCFL-UHFFFAOYSA-N	564.730	1.747	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1Cl	224444237	CGHGEJTYLGGOBE-UHFFFAOYSA-N	566.485	1.976	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@](O)(C[C@H]32)[C@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@]1(O)[C@@H]2OC	247968723	XTSVKUJYTUPYRJ-TYJORJAUSA-N	600.709	1.337	0	40	KDAB	biogenic,in-vitro
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253407356	WAGAVRSHXRGEPW-DXLYGPJMSA-N	593.729	1.477	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@@H](C2)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@H]2[C@H]3CC[C@@]3(C)[C@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)[C@H](O)C[C@]23C)OC[C@@H](O)[C@H]1OC(C)=O	256080315	VSTUEJHYITYINF-VTGKXQBHSA-N	843.017	1.476	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCCN(C(=O)CCNS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	584906313	XOHFFONUONJKGT-UHFFFAOYSA-N	624.782	1.044	0	40	KDAB	
C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCCNC1=O	643566384	CYKMLFFBMLLLAP-WMZOPIPTSA-N	552.554	1.390	0	40	KDAB	
COc1cc2c(=O)c(-c3ccc(OCCOCC(=O)OCCOCC(=O)CO)cc3)coc2cc1OCCOCC(=O)OCCOCC(=O)O	2060999682	FQIVHMARFDBKSA-UHFFFAOYSA-N	706.650	1.025	0	40	KDAB	
O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NC(=O)[C@@H]1COc2ccccc2O1	3348002	JGTOARXCRQMWMF-IBGZPJMESA-N	507.476	1.703	0	40	KDAB	
COCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCCCOC)cc2)cc1	4783074	CCXKBADYGZKUKD-UHFFFAOYSA-N	506.625	1.649	0	40	KDAB	
Cn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(NS(C)(=O)=O)cc1	6088965	RMSIIIRGOHUMLV-UHFFFAOYSA-N	504.594	1.523	0	40	KDAB	
CCOc1ccc(NC(=O)COC(=O)c2ccc(-n3nnnc3SCC(=O)N3CCOCC3)cc2)cc1	33354467	PBODMNNBPQBUMJ-UHFFFAOYSA-N	526.575	1.807	0	40	KDAB	
CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	100025344	YJJMWIGHLXQIJG-HJOGWXRNSA-N	598.701	1.657	0	40	KDAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100872937	AMTBFCRQAFDNIY-SGVWPLLPSA-N	568.699	1.536	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	169677017	ULGZDMOVFRHVEP-WAZPLXRZSA-N	733.937	1.786	0	40	KDAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1N(C)S(C)(=O)=O	224489252	JACBQMDVVLZKTK-UHFFFAOYSA-N	511.622	1.221	0	40	KDAB	
COc1cc(OCC(=O)OCC(=O)O)c2c(=O)c(-c3ccc(OCC(=O)OCC(=O)O)cc3)coc2c1	2061000386	CJGWZZDETQLLNT-UHFFFAOYSA-N	516.411	1.482	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(Cl)cc1	2288300	FAZOSTMCIBBQCK-YDJIHCHBSA-N	522.970	1.264	0	40	KDAB	
CN(C(=O)CSc1nc2cc(C(=O)O)ccc2c(=O)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	13140157	MOEMXNKAEZTARL-KRWDZBQOSA-N	501.586	1.881	0	40	KDAB	
CNC(=O)CCC(=O)N[C@H]1O[C@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C	104295043	SWJNZTGFSRJUQQ-WRXIRZSYSA-N	582.742	1.538	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1	223892044	NDIIQMWQKUUUGZ-QGZVFWFLSA-N	510.634	1.930	0	40	KDAB	
CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224484108	DUYIBTDNPYBWFM-IBGZPJMESA-N	539.676	1.620	0	40	KDAB	
Cc1cc(C)c2[nH]c(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4cnc5c(=O)n(C)c(=O)n(C)c54)[C@@H]3O)nc2c1	257249402	JIDPNCAKMJBYJH-PMAPCBKXSA-N	507.595	1.473	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3C[C@@H]4[C@@H](C[C@H](O)[C@@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]45C)[C@]4(C)C[C@@H](C)[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	1529054640	ODVSKBPWRRQPNN-CTKDUBOTSA-N	801.024	1.215	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccccc1	1775937533	PHASMOUKYDUAOZ-ZUOCOXFHSA-N	629.747	1.677	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	2048392531	HOANKSJQDQJAGG-UARRHKHWSA-N	509.651	1.051	0	40	KDAB	biogenic
COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6905050	IWNIWHFCZUADMU-FQEVSTJZSA-N	529.550	1.838	0	40	KDAB	
Cc1ccc(N2C[C@H](C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2=O)cc1	32971940	QKRHPLAKWQFGJZ-LJQANCHMSA-N	526.638	1.584	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1C(=O)N1CCOCC1	59922896	KRUVGMCJDCFKFO-UHFFFAOYSA-N	547.615	1.868	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OCC)[C@H]1c1cccc(OC)c1	100689869	ZMXAXDSKCVWNMS-UKQGIEBLSA-N	536.606	1.957	0	40	KDAB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	214647799	IIVUSEHWWJNMJK-LZYBPNLTSA-N	529.365	1.905	0	40	KDAB	
CCCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1	224238560	HIJAHWVXYHZPLB-UHFFFAOYSA-N	513.638	1.687	0	40	KDAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@H]4C(=O)NC(=S)N(c5ccccc5)C4=O)c(=O)n32)cc1OCC	408939833	UMICQVMORUMNQN-BNAVABCISA-N	606.682	1.831	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CS(=O)(=O)C[C@H]2N(S(=O)(=O)c2cc(Cl)ccc2C)[C@H]2CS(=O)(=O)C[C@H]21	575425000	DFTZJXQYMDPTHN-WTGUMLROSA-N	643.614	1.637	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN2CCN(C)CC2)CCCCOC[C@@H](O)[C@H]1O	643586723	XVDJLEQZOAXMOX-FLKHEUMLSA-N	580.742	1.306	0	40	KDAB	
O=C1N[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037957010	DEXGXRRJRJCTFS-TZRRMPRUSA-N	520.634	1.486	0	40	KDAB	
C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O	70665728	GPMQUFLHTOTVNB-YYWHXJBOSA-N	605.689	1.534	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	97981511	ACMHKOSTESNEAK-UHFFFAOYSA-N	534.582	1.018	0	40	KDAB	
O=C(COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103115436	NNULXSMWBKAJPF-VWLOTQADSA-N	577.015	1.236	0	40	KDAB	
CC(=O)O[C@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1OC(C)=O	106601819	SXOZSDJHGMAEGZ-CRQKWQIRSA-N	516.455	1.925	0	40	KDAB	
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@H]1O[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	253501134	ZTLZGWDERZVHNS-AFBRUOJOSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
Cc1cc(C)c(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C)c(C)cc2C)cc1C	575421206	HIEUBBLMDRKDBH-VXKWHMMOSA-N	558.744	1.664	0	40	KDAB	
COCC(=O)N1CCN(CC2(O)CCN(c3cccc(OC)c3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1	585286736	IARCOGGLUDCGJW-NDEPHWFRSA-N	549.615	1.905	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCNC1=O	643564337	CREVQEVXCZHWKJ-QLADTWODSA-N	579.698	1.363	0	40	KDAB	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	2054340346	FNIRVWPHRMMRQI-INLYUYNOSA-N	770.998	1.759	0	40	KDAB	
COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O	1627918	YRFHFYADBWEMCM-HXUWFJFHSA-N	540.488	1.287	0	40	KDAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	15958681	CYEDUMLTSBWXIT-WKVINZIJSA-N	510.934	1.764	0	40	KDAB	biogenic
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224384902	ARKCEBDPSRRDBE-LJQANCHMSA-N	567.686	1.982	0	40	KDAB	
Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224457605	IJZUBIKPIFBWHM-FQEVSTJZSA-N	539.676	1.674	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	245205018	KYWSCMDFVARMPN-HRCXMRRKSA-N	780.993	1.777	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5c[nH]cn5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253400595	LKLDYOHFSKMWEI-GEMTWJNPSA-N	564.647	1.162	0	40	KDAB	
Cn1c(=O)c([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc2ccccc21	524731106	KLADLNWVXSGPKN-LMNJBCLMSA-N	542.592	1.986	0	40	KDAB	biogenic
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OP(=O)(O)O	618072474	LIQODXNTTZAGID-IXQGCVMBSA-N	668.541	1.105	0	40	KDAB	
COCC(=O)OCC(=O)Oc1cc(OC(=O)COC(=O)COC)c2c(=O)c(-c3ccc(OC)cc3)coc2c1	2061000016	PXYAPRVHVIENJI-UHFFFAOYSA-N	544.465	1.659	0	40	KDAB	
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F	1859538	ZOWHADDFZZEYNJ-GOSISDBHSA-N	500.842	1.867	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)cc1	4222857	ICVILQGMSAZYOS-DXBBTUNJSA-N	503.533	1.909	0	40	KDAB	biogenic,in-vitro
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)Cn4cc(Cl)cn4)[C@@H]3SC2)s1	12406546	PCITUFYFGPAUGA-CVKUXFQVSA-N	515.042	1.863	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)c1	20032130	PFSVOMNZLHJDDD-GOSISDBHSA-N	525.649	1.671	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)C(=O)NCCCO	70708175	OAECIRJLDAVULD-JMQGSBJISA-N	553.612	1.993	0	40	KDAB	biogenic
C[C@]12CC[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CCOC3=O)CC[C@@]12O	118915658	ACLJAFRNPZVVIW-CQUQOBFFSA-N	536.662	1.429	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1N1C(=O)CCC1=O	224346343	NPBJKPIGVLRHRB-UHFFFAOYSA-N	537.616	1.490	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C	257199105	SKHJNNFXCKTDBG-FOAJUDKGSA-N	708.886	2.000	0	40	KDAB	
CC(C)(C)OC(=O)NCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257227760	FQTRXAKSSSNEFL-XHIHJMKYSA-N	502.568	1.175	0	40	KDAB	
C[C@@H]1Cc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2CN1	265540558	DVHSNZOOJZPPDW-VRKREXBASA-N	548.069	1.336	0	40	KDAB	
O=C1C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643574658	HQWVWVYDWSGCNJ-GSDHBNRESA-N	602.644	1.319	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1	12543429	ARIZDTDAKCONCO-UHFFFAOYSA-N	512.629	1.801	0	40	KDAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)CC2)c1	96021395	HFGHYOCJMMCAPC-XMMPIXPASA-N	530.628	1.567	0	40	KDAB	
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(Cl)c(F)c3)N1)[C@@H](O)[C@H]2O	225445275	XONJMXJEVSOXGO-HLQVWFQDSA-N	653.098	1.439	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@@H]2[C@@H](C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]23O)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC)[C@H]2CN3C[C@H](C)CC[C@@H]3[C@](C)(O)[C@@H]2[C@H]1O	242547826	KUVBGCMJMQPNOD-MQCQSJBOSA-N	793.948	1.607	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	245266171	JAFHRXBUMPKHBC-MERXZDIISA-N	520.318	1.806	0	40	KDAB	
CN(C)S(=O)(=O)N1CCOC[C@@H](C(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)C1	643564016	VRFCAFLMQXKGDT-QFIPXVFZSA-N	566.721	1.359	0	40	KDAB	
O=C(O)COCCOC(=O)COCCOc1ccc(-c2coc3cc(OCCOCC(=O)OCCOCC(=O)O)ccc3c2=O)cc1	2060993720	CHDRSKPQKPTEIK-UHFFFAOYSA-N	662.597	1.540	0	40	KDAB	
O=C(CNC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1	4896177	PZRLCRMZASNWID-UHFFFAOYSA-N	596.652	1.907	0	40	KDAB	
CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12	8918248	SNXKESNSEZNQHH-PPHZAIPVSA-N	513.591	1.429	0	40	KDAB	biogenic
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	10385821	VLIZZZQKYJMUOA-PMACEKPBSA-N	514.535	1.470	0	40	KDAB	
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	150399490	JOURHOHBSOYHNQ-DHWKRYHTSA-N	788.947	1.276	0	40	KDAB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)c2)CC1	224252145	VASCTZOYRMFJGW-UHFFFAOYSA-N	545.083	1.335	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576022	DNOFWKYLZNSELJ-UIOOFZCWSA-N	631.734	1.099	0	40	KDAB	
COCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615153120	BLDPEQKRKXFPTA-ZEQRLZLVSA-N	554.644	1.440	0	40	KDAB	
CC(C)[C@H](NC(=O)CCCc1ccc(N2C(=O)C=CC2=O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1	1777699019	AJKAEJUDCVBLSZ-SVEHJYQDSA-N	620.707	1.644	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1	2037942885	LIVLABYLMCETPC-NDEPHWFRSA-N	524.618	1.824	0	40	KDAB	
O=C(O)c1ccccc1C(=O)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4ccnc4)cc3)CO[C@H]12	4147919	AWVUMMTUYIVCGJ-UWHLTILDSA-N	503.475	1.487	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1	5295868	LGTUQXQRWGACNM-UHFFFAOYSA-N	573.433	1.153	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2OC)CC1	19973391	HCVDDEPQTSCEBS-XMMPIXPASA-N	519.562	1.810	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@@H]1O	67903283	CMZFNIMQBCBHEX-YRWNLEBCSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	70670201	GECFLNOUXIAXFR-KWXDATOUSA-N	568.630	1.395	0	40	KDAB	biogenic
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccccc3Cl)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712188	WVCXBUATTZQVSZ-KNQBKSORSA-N	585.035	1.796	0	40	KDAB	biogenic
NCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I	97978434	FUOXCOHIWKJOMU-UHFFFAOYSA-N	615.887	1.794	0	40	KDAB	in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O[C@H]2CC[C@]3(C)[C@@H]4CC=C5[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O	253389057	VVWSVSOPOPDXMM-NBRRDVIESA-N	941.118	1.825	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1O	605858014	AYWNHWGQTMCQIV-BYANXCDMSA-N	827.018	1.295	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(C)CC(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1	643566283	BXWCFIWIGFBHEY-XXBNENTESA-N	538.601	1.221	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568135	LBQBWUULLUTERJ-UGVYYDGISA-N	586.689	1.910	0	40	KDAB	
Cc1nn(CCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C	643575764	KBBXSTWLAJVFLL-LYVYPOQBSA-N	673.815	1.880	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNC[C@@H]2CCCO2)CCCCOC[C@@H](O)[C@H]1O	643586696	RNLVNUQTSMNQTO-UCQRENLISA-N	581.726	1.827	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@]2(O)[C@@H](O)[C@H](CO)O[C@H](O[C@@H]3C[C@@H]4[C@]5(CC[C@@]6(C)[C@H]([C@]7(C)CC[C@H](C(C)(C)O)O7)[C@H](O)C[C@]46C)C[C@]54CCCC(C)(C)[C@@H]34)[C@H]2O)OC[C@H](O)[C@H]1O	2060989899	LFJNPJBIDAQEHH-VSMOAYMDSA-N	827.018	1.644	0	40	KDAB	
C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C	2061000233	KRQDMAXNTWLTDZ-JFPAZXOBSA-N	721.929	1.963	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1cc(Cl)c(C(=O)N[C@H](CCC(=O)O)C(=O)O)c(Cl)c1	8628657	WTRBJWCGFNGLNY-GFCCVEGCSA-N	523.337	1.575	0	40	KDAB	
O=C(N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(F)cc1)c1cccs1	9764128	GTCOUBFABJWYNX-HXUWFJFHSA-N	505.549	1.995	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	12467520	LOTKXLVDLDGSLM-LJQANCHMSA-N	517.564	1.894	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13301316	XYWZWQBEWGQXQR-WONSJQCUSA-N	515.515	1.582	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1OC	15957944	DXZWQYDLHZJHCH-RLLIMONSSA-N	506.559	1.159	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	15969292	UILXXRNYDXFAKY-VAXZJENFSA-N	506.559	1.241	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl	20031945	YPWKDGFXKYFQER-OAHLLOKOSA-N	502.014	1.713	0	40	KDAB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)CC2)c1C	38145501	OSSNBQKSBRZHMH-UHFFFAOYSA-N	553.685	1.600	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1OC	44980821	IQLNBDLSHQUSTG-UHFFFAOYSA-N	513.638	1.339	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)NCC(N)=O	100085582	LQYCDRNDPPARMY-HVCNVCAESA-N	642.798	1.583	0	40	KDAB	
C[C@H](O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O	100771891	SSMKLDJJCIRAMZ-JBINPLMMSA-N	505.612	1.995	0	40	KDAB	
O=C(c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)ccc1Cl)N1CCN(c2ncccn2)CC1	103050393	JJHUSNVBHMEQDW-UHFFFAOYSA-N	597.144	1.849	0	40	KDAB	
O=C(COc1ccc(NC(=O)OCCO)cc1)OCCOC(=O)COc1ccc(NC(=O)OCCO)cc1	114671317	FZHOTLHCSMGSJM-UHFFFAOYSA-N	536.490	1.312	0	40	KDAB	
O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	195529860	CXIBFANOJADLNG-NLWGTHIKSA-N	505.593	1.238	0	40	KDAB	
COc1cc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc(OC)c1O	524731100	KJJUBDGGBVZVQM-AYBZRNKSSA-N	537.569	1.857	0	40	KDAB	biogenic
Cc1ccc(NC(=O)Cn2c(N(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	5318173	IGDOECCJRXRQEH-UHFFFAOYSA-N	687.117	1.455	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1	19941079	NFMUBSTUHRVEOY-QHCPKHFHSA-N	524.626	1.843	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OCC(=O)N1CCOCC1	32990949	PMYXAIXCYVNVSU-UHFFFAOYSA-N	503.577	1.080	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876758	FGYGKTREYJLPMS-OIKHPULZSA-N	566.683	1.685	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(CO)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389510	NOKUIKNJHIHLGT-RVRZIYBVSA-N	913.108	1.344	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1	4577552	AMVPQXWWHXMIJM-UHJWFULKSA-N	659.784	1.885	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)CC2)cc1	20490468	SEMRWUWVTGKPDZ-UHFFFAOYSA-N	507.634	1.304	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O)[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](C)[C@H]1OC(C)=O	100828911	SXOZSDJHGMAEGZ-PATWHGEKSA-N	516.455	1.925	0	40	KDAB	endogenous,in-man
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1	224229890	UOEFOQLSAWRKRR-UHFFFAOYSA-N	501.602	1.817	0	40	KDAB	
CNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C)c4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O	1570003516	HZASUSQFONTRAT-PFHKOEEOSA-N	544.737	1.217	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	2636766	SBKDZAHXDUAKHF-UHFFFAOYSA-N	545.595	1.890	0	40	KDAB	
COCN1c2ccccc2S[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	8431479	VKCGIKJXWXVQAJ-NHFPKVKZSA-N	541.575	1.819	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13302416	JAFHRXBUMPKHBC-RFBJODPTSA-N	520.318	1.806	0	40	KDAB	
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032486	GHFPAYXJLOKYHO-GOSISDBHSA-N	525.649	1.480	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(C)=O)[C@@H]([C@H](OC)[C@H]23)[C@@H]14	85340884	HRNMOJZLZGYPOJ-BJWNYVHPSA-N	521.651	1.644	0	40	KDAB	biogenic,in-vitro
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	97971612	NRRXDXZXLJSBPH-XZABFBOGSA-N	724.885	1.339	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C	100019044	YWLXLRUDGLRYDR-RORZEMHPSA-N	544.597	1.082	0	40	KDAB	in-vitro
COc1ccc(OC)c(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	100082157	ONJKEIYDBSLJPA-UHFFFAOYSA-N	550.678	1.670	0	40	KDAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	225488148	NSKIOLDAYOCBGE-UHFFFAOYSA-N	541.623	1.895	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	253500648	GZNCPAASLBFTKY-AVDNBGPKSA-N	810.975	1.379	0	40	KDAB	biogenic,in-vitro
Cc1cc(=O)oc2cc(N[C@@H](O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)CNC(=O)[C@H](CC(C)C)N[C@@H](C)O)ccc12	1569989272	ZYQYVNMMFPWTJT-IDPPLZKOSA-N	615.650	1.624	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(C)C)C(=O)N1CCC[C@H]1C(N)=O	6134970	VOBAMTUXDLOETR-GRSYGWAWSA-N	571.675	1.462	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8834018	QBFVABHSGIIDPA-LASHMREHSA-N	502.314	1.484	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3OC)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1OC	35387306	KDIAUGYLPJSCSB-SSUIOBEFSA-N	522.579	1.567	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	140356573	XJCWVDLEHVWJLE-UHFFFAOYSA-N	539.632	1.762	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	224500155	BVZJBKHHVINJDB-HXUWFJFHSA-N	537.660	1.303	0	40	KDAB	
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3CC3CCCCC3)N1)[C@@H](O)[C@H]2O	225444730	LMKLUMXIOJMFMU-HDWXRUPBSA-N	606.711	1.027	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225531715	QRVYUTWSUJXTRO-QGZVFWFLSA-N	511.597	1.886	0	40	KDAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)c1	408650603	BVTMWVPKAGFXKP-HNNXBMFYSA-N	501.492	1.396	0	40	KDAB	
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	1408596	DBICCEHDUKKJEE-UHFFFAOYSA-N	502.618	1.768	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	2287451	YMFQLTXQMUTSLQ-AGGMBTAESA-N	505.552	1.772	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1	6281149	PVRCOQSIWDVIPY-WIOPSUGQSA-N	552.636	1.224	0	40	KDAB	
C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O	12887410	SHIPLYKYXGTSKL-IHPCNDPISA-N	503.596	1.897	0	40	KDAB	biogenic
CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCOCC1	38140454	NMNRDMOQBVKZHB-MRXNPFEDSA-N	535.575	1.154	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1	97982620	CJGVSOCQZBRYPN-IYBDPMFKSA-N	538.652	1.731	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2C[C@H](O)COc2ccc(Cl)cc2)n(C)c1=O	97993330	UDZROSMUVBPOGS-NRFANRHFSA-N	539.036	1.849	0	40	KDAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1S(=O)(=O)N1CCOCC1	215949104	UOLUMGZEESUDMX-UHFFFAOYSA-N	529.662	1.817	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	260890980	WCXNRURUCBOJPK-FQEVSTJZSA-N	567.686	1.312	0	40	KDAB	
CN1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5cnn(C)c5)ccc4C(=O)N3)CC[C@@H]2O)CC1	514287425	AYYZGJMQERZUQI-QIXRUXETSA-N	566.703	1.161	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643565562	JJWIGRWXAAFQSO-CUBQBAPOSA-N	577.682	1.606	0	40	KDAB	
CN1CC(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N2CCC[C@H]2COc2ccccc2C1=O	643569719	BWBULJNGNWCZCE-REWPJTCUSA-N	580.638	1.691	0	40	KDAB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1S(=O)(=O)N1CCOCC1	66128844	GAALADRDGMQQCS-UHFFFAOYSA-N	537.660	1.480	0	40	KDAB	
CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](C=C4OC(=O)C=C4[C@@]3(C)O)[C@@]12C	96923938	XKLBSFHFNUCCKY-UXYMEOMDSA-N	506.548	1.717	0	40	KDAB	biogenic
CC(=O)N[C@@H]1[C@@H](OC[C@H]2O[C@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97986416	KQPACFUEGAAHNG-FZGXBQGGSA-N	669.721	1.904	0	40	KDAB	
C[C@]12CC[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CCOC3=O)CC[C@@]12O	118915659	ACLJAFRNPZVVIW-HMNAOVENSA-N	536.662	1.429	0	40	KDAB	in-vitro
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CC(=O)N1C	643571350	IAZSVOHXGZFMAJ-VFPRQVECSA-N	622.767	1.840	0	40	KDAB	
Nc1nccnc1C(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578170	OULQUUGPLLLTQG-LEWJYISDSA-N	512.611	1.017	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(I)cc1	96022556	JJOVPOMGAIBSLV-SQNIBIBYSA-N	535.287	1.588	0	40	KDAB	
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	101462087	LFSTYMZCBPDNFP-UHFFFAOYSA-N	610.679	1.523	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)c(N)n(Cc2ccccc2)c1=O	103130603	MNTXQEAWJCLIEP-UHFFFAOYSA-N	532.509	1.817	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	224485689	MKIMGNSZWJOZLH-QHCPKHFHSA-N	555.675	1.456	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1S(=O)(=O)N1CCOCC1	225713832	YHOVNDLYLJQAII-UHFFFAOYSA-N	553.644	1.929	0	40	KDAB	
CCN1CCN(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)CC1	257314708	UYDMKBOKGWDWSA-REWPJTCUSA-N	537.499	1.931	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1	260719644	KXSKALAFLKDSQB-UPVQGACJSA-N	503.621	1.952	0	40	KDAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1	504705269	NEZKPXFSPBYPFW-RBRWEJTLSA-N	562.601	1.334	0	40	KDAB	biogenic
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568171	NEWHDUPESSGDPJ-AFESJLNVSA-N	591.709	1.565	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	12655863	YFJHYTOASNBTBZ-OUUBHVDSSA-N	503.298	1.911	0	40	KDAB	biogenic
C[C@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O	12881146	SHIPLYKYXGTSKL-YSIASYRMSA-N	503.596	1.897	0	40	KDAB	biogenic
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C	20802943	FMQYXLJEYNAWBV-QHCPKHFHSA-N	521.618	1.506	0	40	KDAB	
COCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994518	SVEWEHYNAYICSG-UHFFFAOYSA-N	504.632	1.412	0	40	KDAB	
CCOC(=O)/C(C(=N)S[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)=C1/NN=C(c2ccccc2)O1	100955254	ZZSAZBSUSTVXPU-YJJPGGFBSA-N	621.621	1.536	0	40	KDAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CC1	101352980	DUAVHUVEDSMIBN-ZEQRLZLVSA-N	539.633	1.181	0	40	KDAB	
COc1ccc(CCN2C[C@H](C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2=O)cc1OC	103058244	XRFAKDSRPQFJDL-GOSISDBHSA-N	533.603	1.527	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1	150601512	TVBJKPLTBPGHDJ-LVYOLCAQSA-N	660.669	1.447	0	40	KDAB	biogenic
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1	224223813	ODIBODLCWRDMHS-UHFFFAOYSA-N	511.622	1.075	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@H]3C(=O)NC[C@H]1O2	253399800	JZIVZWYIXAIQDN-FEVSWUGISA-N	527.666	1.746	0	40	KDAB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)nn1	409381678	VJNHXXVHTOLQQS-JWQCQUIFSA-N	641.542	1.827	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N(C)CC(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643567223	ACCUMUUATKDKAJ-NRFANRHFSA-N	540.617	1.251	0	40	KDAB	
O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCN(c3ccccn3)CC1)C2	2037879969	ZTYRECPNMBEFIK-SSEXGKCCSA-N	546.672	1.697	0	40	KDAB	
CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O	6632000	POXCHDLYCJFKBU-MFUCOGHRSA-N	577.679	1.039	0	40	KDAB	
CC[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)n1nc(C)c(Cl)c1C	97945442	NXNMTXPUPIYCKG-CJBNDPTMSA-N	527.032	1.159	0	40	KDAB	
CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)s1	102862240	FRJMNUVWIXTIPH-UHFFFAOYSA-N	532.637	1.806	0	40	KDAB	
Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225089445	ICDZFYWFLZHZMH-UHFFFAOYSA-N	506.606	1.385	0	40	KDAB	
C[C@H]1CC[C@@]2(NC1)O[C@@H]1C(=O)[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C	253532281	RBCXKPQLDXSOQW-KAZYCYSMSA-N	737.928	1.222	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	254347241	BJNLCTXPPRPFFK-FSGKZVOOSA-N	517.940	1.676	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	255212481	GLURPOUSKHAUSS-VVJIWJAZSA-N	796.992	1.853	0	40	KDAB	biogenic,in-vitro
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O	260716935	HAQUIKYJCDSNLI-XZOQPEGZSA-N	505.612	1.952	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	299817795	TUFDSEMWRYIOBO-QSEDQTIOSA-N	799.008	1.328	0	40	KDAB	biogenic,in-vitro
COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4ccccc4C(=O)N3)CC[C@@H]2O)c1	514287664	WSLYHIDPCMOAPR-AUQUEVEYSA-N	509.603	1.875	0	40	KDAB	
COC[C@]12CC[C@@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@@H](O)[C@](OC(C)=O)([C@H]([C@@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1	584567034	FIDOCHXHMJHKRW-QVDNLYELSA-N	615.720	1.287	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OCCNC1=O	643568314	OPOPILZEDXVZMO-RPLLCQBOSA-N	591.709	1.347	0	40	KDAB	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577795	GEOQWVRLAGCKQN-LOSJGSFVSA-N	604.726	1.301	0	40	KDAB	
CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	6632007	BBLHYOJGXPTSMN-MBPYSEENSA-N	568.671	1.862	0	40	KDAB	
O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	12484390	WXPNVLFBAQSQFD-FQEVSTJZSA-N	504.996	1.726	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1	13513671	MOVXHFXXDXDHJA-QGZVFWFLSA-N	508.622	1.935	0	40	KDAB	
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)c2o1	56874795	QACRJXSXSVUOFZ-HINKZNOMSA-N	540.521	1.423	0	40	KDAB	biogenic,in-vitro
Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C[C@H]4CCCO4)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@@]2(C)O4)no1	245229968	JAHWIZMBXJXWMQ-RGLKNSMFSA-N	506.559	1.958	0	40	KDAB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl	575422662	NXGBNBSYOBIAOC-VHSXEESVSA-N	514.634	1.379	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1	585281247	XGXHFWUMYADYGQ-GDLZYMKVSA-N	554.644	1.497	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643566580	SXEZAWFNXXWCAB-ONALNCHISA-N	593.725	1.705	0	40	KDAB	
CC(C)CN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891104	WHAUYPKTVQFFIH-YADHBBJMSA-N	531.679	1.600	0	40	KDAB	
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)CC[C@@]3(C)[C@H]12	1857789674	UEBSUYXDXSNJSV-SDHCWKCISA-N	813.035	1.385	0	40	KDAB	
O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCN(c3ccccn3)CC1)C2	2037879968	ZTYRECPNMBEFIK-PMERELPUSA-N	546.672	1.697	0	40	KDAB	
CCn1c(COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	38152209	GMSHABGSQIATKT-UHFFFAOYSA-N	534.591	1.806	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1	59852175	DJISGACOABBZGL-UHFFFAOYSA-N	532.040	1.306	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1	100277747	MKEHXQYQEVGDNN-CVDCTZTESA-N	543.650	1.500	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1	100277748	MKEHXQYQEVGDNN-WMZHIEFXSA-N	543.650	1.500	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C4CCC4)NC3=O)O2)cn1	514287444	CMUCRPDFMHIMFX-IQRRZBEASA-N	523.634	1.620	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	575426595	WNJLDPBPWUKLNP-DNQXCXABSA-N	582.678	1.858	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643566061	PCZXAGKEZIAKRQ-GQOCTPOGSA-N	542.608	1.173	0	40	KDAB	
CC(C)Oc1ccc(C2(CNC(=O)CCC(=O)N3CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C3)CCCC2)cc1	643913200	KJYXAVBHXALAKT-GERHYJQASA-N	608.773	1.671	0	40	KDAB	
CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c2)cc1	3221144	BESXVOXEOGWMOR-UHFFFAOYSA-N	528.587	1.849	0	40	KDAB	
CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCC2	6599733	XUTMLUPUYFFEIL-UXPWSPDFSA-N	527.548	1.710	0	40	KDAB	
CCc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21	15968056	IPOBZGPDCBNMIG-OZLNXOMTSA-N	506.559	1.105	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C	32911029	NHIKPSCRZQKVBK-JTHBVZDNSA-N	519.595	1.458	0	40	KDAB	
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	44904345	GKFHGWHWXJJWRP-UHFFFAOYSA-N	505.578	1.999	0	40	KDAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCCCO)cc1	222963608	OVYDSYRCQOWLGU-LJQANCHMSA-N	517.648	1.984	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)S(C)(=O)=O	223470454	DBZGQCNYIMKZNR-XMMPIXPASA-N	520.627	1.235	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	224272405	PYLPTSBVQQDETL-QGZVFWFLSA-N	513.613	1.672	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389466	MIPXDZVPQOJPHM-NFBCHMLASA-N	954.161	1.488	0	40	KDAB	biogenic,in-vitro
COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@](O)(COc2cccc(F)c2)C1	585284757	ZSAXGIPPSUKTJK-AREMUKBSSA-N	513.570	1.597	0	40	KDAB	
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O	1542033318	YOKBGCTZYPOSQM-LATNRODASA-N	896.107	1.532	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccc1F)CC2	1548891109	WOJGOCMMKCZICY-NOZRDPDXSA-N	588.702	1.720	0	40	KDAB	
CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCCN2CCCC2=O)c(=O)c2cc3c(cc21)OCO3	9134439	SOEMTNJSLQIVMZ-SFHVURJKSA-N	516.620	1.730	0	40	KDAB	
CCCCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	23077945	CUNCZGNDJPEBGZ-UHFFFAOYSA-N	521.640	1.551	0	40	KDAB	
Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337710	JMIKQEYHQWOWDJ-UHFFFAOYSA-N	510.016	1.564	0	40	KDAB	
O=C(CSc1nnnn1-c1ccccc1)NCCCCCNC(=O)CSc1nnnn1-c1ccccc1	98042907	XVAKVYGDZFTRSZ-UHFFFAOYSA-N	538.663	1.925	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1	224213556	IMZJEKZYPXFNKA-UHFFFAOYSA-N	581.454	1.503	0	40	KDAB	
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)c(OC)c1	408650137	ARXMAFKEJQTGIA-HNNXBMFYSA-N	501.492	1.396	0	40	KDAB	
CCCN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888788	AUUNJHTVGAFXND-RTWAWAEBSA-N	517.652	1.354	0	40	KDAB	
NN1C=NN2C(SCC(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)s3)=NN[C@H]12	2186352	MOJOKKYDZNRRHH-CYBMUJFWSA-N	533.452	1.840	0	40	KDAB	
O=C(Cn1nnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	12523005	CRUDWGDTAOMBMS-UHFFFAOYSA-N	512.592	1.441	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2OC)CC1	19973390	HCVDDEPQTSCEBS-DEOSSOPVSA-N	519.562	1.810	0	40	KDAB	
Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1[C@@H]1COc2ccccc2O1	103062325	JIVHSQPWNUXNLC-IBGZPJMESA-N	551.050	1.783	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	150396402	KQPACFUEGAAHNG-JQHXOKSOSA-N	669.721	1.904	0	40	KDAB	
CCOc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224317575	DJSIQWKQBOWHOA-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O	643550956	MYOHFWXBWJBOFA-VABKMULXSA-N	531.698	1.697	0	40	KDAB	
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CC1=O	643574759	OVTISCCQWABGTB-PXJZQJOASA-N	627.742	1.961	0	40	KDAB	
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1	643576046	FVBRKKHUQABYQX-PBSCWAGCSA-N	687.794	1.479	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582498	CRRMJZQYNAQDTM-YENTXNKWSA-N	550.656	1.779	0	40	KDAB	
COc1cc2c(=O)c(-c3ccc(OCCOCC(=O)OCCOCC(=O)O)cc3)coc2cc1OCCOCC(=O)OCCOCC(=O)O	2060999863	GRRMYWWGQZYHCM-UHFFFAOYSA-N	692.623	1.548	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Br)cnn4C)[C@@H]3SC2)s1	2752094	NQKUQAIUTHXBRS-OTYXRUKQSA-N	531.439	1.487	0	40	KDAB	
COc1cc2c(cc1OC)-c1c(cnn1[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)CC2	5410417	CZORZRFQLNOLAY-MMFLVBLUSA-N	560.556	1.922	0	40	KDAB	
CC(C)CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	8690051	XJJZJGLIVVMNRP-UHFFFAOYSA-N	524.640	1.727	0	40	KDAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1	60028663	GAZDPXGTKOVDSN-UHFFFAOYSA-N	537.660	1.897	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(I)cc1	97986739	BACZETLXMXQASX-KNJMJIDISA-N	549.314	1.326	0	40	KDAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	103021536	AQCOEBQRWZERKC-UHFFFAOYSA-N	542.079	1.827	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	248162661	MQTOSJVFKKJCRP-BYEKCOHLSA-N	748.996	1.901	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3C[C@@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	253498644	GHUUTEXYFBCKSM-QZAKDFMXSA-N	738.912	1.361	0	40	KDAB	biogenic
O=C1NCCOCCOc2ccc(C(=O)NCCS(=O)(=O)N3CCCCC3)cc2Cc2cccc1c2	643572845	JOYZLTIQCPZJOA-UHFFFAOYSA-N	515.632	1.962	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4ncc(Cl)c4C)[C@@H]3SC2)s1	2732739	CMDBCEFATJNRLA-DOMZBBRYSA-N	501.015	1.536	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c(OC)c1	20490355	BJHCYCDVXFQFCF-INIZCTEOSA-N	526.637	1.962	0	40	KDAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c2ccccc2O1	222831774	FDWWWLFDENUGPV-HXUWFJFHSA-N	510.952	1.707	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224366487	ALJWLMZBUUATRG-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409164619	LACKLUYFEWUANC-KWXRMHBDSA-N	621.668	1.773	0	40	KDAB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)c3cc4c(=O)n(CC5=CCS(=O)(=O)C5)c(=O)n(C)c4nc3C[C@H]1C)C2=O	1547211058	LQLYYUGVKWNEAS-KHXSAUHESA-N	602.021	1.510	0	40	KDAB	biogenic
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCC1	4018361	ZAUYDHKSVFGBBZ-KYJUHHDHSA-N	696.889	1.838	0	40	KDAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1	12921495	OVDLTQBDQBJJIN-VWLOTQADSA-N	531.635	1.889	0	40	KDAB	
O=C(NN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(NC(=O)c3cccnc3)C4=O)cc2C1=O)c1cccnc1	33354208	DQDXQINCHFNXBB-UHFFFAOYSA-N	596.537	1.191	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1	44846604	JQTVWLLYJLNTAO-UHFFFAOYSA-N	525.605	1.652	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1	100277297	CVOKLYCZQMLUER-JYFHCDHNSA-N	569.638	1.968	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@@]5(C)C(=O)[C@@H](O)[C@H]3[C@@H]2[C@]45O)O[C@@H](C)[C@@H]1O	119173942	XYPIGUUTGMMFPH-NJQZUXNHSA-N	562.656	1.276	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	260886098	DVDJRZDMVUAHJK-NRFANRHFSA-N	551.687	1.612	0	40	KDAB	
O=C(O)COCCOc1ccc(-c2coc3cc(OCCOCC(=O)O)c(OCCOCC(=O)O)cc3c2=O)cc1	263583633	OTSGCUNUYFBGCL-UHFFFAOYSA-N	576.507	1.900	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC1=O	607857623	BSMORZQXPRJUEU-GECKSQOKSA-N	777.920	1.109	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCNC1=O	643568306	OJYLEJPEHQPTJO-ZDWBCWQTSA-N	599.729	1.279	0	40	KDAB	
CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnc(C)s4)CS[C@H]23)n1	2747825	CRWUJGVQONLEQC-IAQYHMDHSA-N	501.015	1.861	0	40	KDAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1OC	38145101	XRIBCEYIFUHXBO-QHCPKHFHSA-N	546.646	1.679	0	40	KDAB	
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	67902729	YXSQSVWHKZZWDD-XWYRZYGQSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
CCOC(=O)/C=c1\s/c(=C\c2cccc(NC(=O)c3ccc(C)cc3)c2)c(=O)n1CC(=O)N1CCOCC1	97981649	OBSCDYSHZANYGD-BYHDGAQCSA-N	535.622	1.502	0	40	KDAB	
O=C(N[C@]12[C@@H]3[C@@H]4[C@H]5[C@@H]1[C@@H]5[C@](Br)([C@H]32)C41OCCO1)N[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1	101474131	RCJDUXLRIPBMPW-PGTVJGQJSA-N	566.246	1.047	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	585272338	HQPSRCOYKYORTD-MHZLTWQESA-N	530.597	1.330	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C	3363143	ZMMFEGCFYHHVFH-SFHVURJKSA-N	500.577	1.950	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O	5351621	GNBHVMBELHWUIF-QIPNKBJNSA-N	593.766	1.316	0	40	KDAB	in-vitro
Cc1cc(C)n2nc(SCC(=O)OCCN(C)C(=O)CSc3nc4nc(C)cc(C)n4n3)nc2n1	12446131	AUAFXHOOBNMPQG-UHFFFAOYSA-N	515.625	1.682	0	40	KDAB	
COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	17414144	UAUWJXZXZBNZOI-VVZHRXSXSA-N	571.652	1.884	0	40	KDAB	
CN([C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O	224421903	VHUFZJSOULIFPH-JOCHJYFZSA-N	509.650	1.989	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1OC	260751890	WFIPLDHCOHYOGO-SFHVURJKSA-N	525.649	1.508	0	40	KDAB	
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C	306146167	BXIFNVGZIMFBQB-OTOWLTIGSA-N	877.053	1.225	0	40	KDAB	
CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409192138	UVUFRAXEOZUAIB-RUDMXATFSA-N	528.040	1.882	0	40	KDAB	
Cc1ccc(C)c(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C)ccc2C)c1	575420187	AFKBKOUUYKAYKO-WOJBJXKFSA-N	530.690	1.047	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C)c(Br)c4C)[C@H]3SC2)s1	2809484	FAJXDHVELXZOSA-XJKSGUPXSA-N	559.493	1.953	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3OC)n2C)c(N)n(Cc2ccccc2)c1=O	103072403	PGBPVRXFWYGZHC-UHFFFAOYSA-N	550.597	1.593	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	138974748	CHHXRIFXRWKLHO-LICXLWGISA-N	522.535	1.990	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	242390207	AEDVJDMITHPZNB-PZMMLYQQSA-N	525.532	1.506	0	40	KDAB	
Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C	260886062	DAZZFKYRRTVFFM-HXUWFJFHSA-N	539.676	1.674	0	40	KDAB	
CO[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc2ccccc2OCc2ccccc2)[C@H](C)O)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O	643551951	UXGYQCDENKQZMW-MTGFXKMRSA-N	711.857	1.663	0	40	KDAB	
O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1Cc1ccc(O)cc1	1772591611	IARVGFPVKNFORJ-NYDDOVQGSA-N	667.763	1.576	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	4990509	ZKKFZJLKAPCULX-TWHPPBISSA-N	530.324	1.262	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339417	UVIIFDXFOSOVOQ-DVZKKUMJSA-N	510.492	1.218	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N[C@H](Cc1ccccc1)C(=O)O)n2C[C@H](O)COc1ccc(Cl)cc1	10274132	FVRFBKRLIYDGTE-FUHWJXTLSA-N	513.938	1.624	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCOCC1	12539937	ULMUPZZWZLDALZ-BYHDGAQCSA-N	508.596	1.520	0	40	KDAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@@H]32)cc(OC)c1O	101174952	IHWRBHBKLZOBIG-PUDNGXGNSA-N	518.569	1.717	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(C(F)(F)F)c1	102253616	OGOUZQSMHJMQHB-NRFANRHFSA-N	561.561	1.908	0	40	KDAB	
C[C@]12CC[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CCOC3=O)CC[C@@]12O	118915657	ACLJAFRNPZVVIW-BAYJMZCESA-N	536.662	1.429	0	40	KDAB	in-vitro
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	224473393	JHBVRMXMOHCKCA-DEOSSOPVSA-N	579.741	1.877	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@]4(C)C[C@H](O)[C@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@]4(C)CC[C@]34C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	605851155	UPADPCUOTDTWHH-KUXKLNJVSA-N	768.982	1.752	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643569412	UIJMUENTMLBEED-QFIPXVFZSA-N	554.644	1.641	0	40	KDAB	
O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)cc1	1772591612	IARVGFPVKNFORJ-PCYHVKPNSA-N	667.763	1.576	0	40	KDAB	
CCOC(=O)N[C@](C)(C[C@](C)(NC(=O)OCC)[P@](=O)(O)Nc1ncn[nH]1)[P@](=O)(O)Nc1ncn[nH]1	5662715	PJQFJSOZVDLKIO-GASCZTMLSA-N	538.399	1.132	0	40	KDAB	
CC1=C(C[C@@H]2C(=O)N(c3ccccc3)S(=O)(=O)N[C@@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	5810618	QGIHEFHWYZSHNW-BEFAXECRSA-N	504.590	1.760	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1	6546266	BJQJBMFQZPPLKB-CVDCTZTESA-N	542.618	1.838	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1	59838719	FFWTZFUNRYVQGP-HXUWFJFHSA-N	567.686	1.442	0	40	KDAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	102099265	QSLDVYOLXVLPKV-DNQXCXABSA-N	554.600	1.965	0	40	KDAB	
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	102974395	OTZKPYYXMRWMGH-FQEVSTJZSA-N	571.743	1.916	0	40	KDAB	
O=C(OCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	104328823	UWWYIPWDWNMXHN-MJZBVUQKSA-N	560.603	1.125	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1S(=O)(=O)N1CCOCC1	223523635	AVXGBQBGMBRARS-UHFFFAOYSA-N	553.644	1.929	0	40	KDAB	
CN(c1ccc(Cl)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)S(C)(=O)=O	224489398	UTYRCKDOJJMOBR-UHFFFAOYSA-N	532.040	1.566	0	40	KDAB	
CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O	252338824	FEPMHVLSLDOMQC-MBFMTEQRSA-N	823.904	1.204	0	40	KDAB	endogenous,in-man
Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	257217032	CXEAJBSPRXYKTL-IDISGSTGSA-N	549.632	1.256	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1	257548801	TVBJKPLTBPGHDJ-PLALMRAISA-N	660.669	1.447	0	40	KDAB	biogenic
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)C2CCOCC2)CC3=O)CC1	958317861	ULHVWQSOQSDMNJ-DQEYMECFSA-N	552.672	1.546	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750552	DVUHIYFVLVFKRW-KKDMSGPTSA-N	801.024	1.120	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1	3221476	LYHOURBHHWZOHH-UHFFFAOYSA-N	514.560	1.432	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1	3315078	BIAZTXXNBUDRKM-KVDXNUTJSA-N	502.545	1.756	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	20031161	ZBNLRRBGARIFPU-UHFFFAOYSA-N	525.649	1.352	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	20031697	LAXITJGYICIEIA-UHFFFAOYSA-N	516.439	1.814	0	40	KDAB	
CCN(C(=O)CSc1nnc(-c2ccccc2F)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666523	JDIYOFDYXXFFNT-UHFFFAOYSA-N	510.555	1.424	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@H]1C	32744875	MSFNCVFBLXWHBB-LBPRGKRZSA-N	501.945	1.036	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838087	DLULUVGDXMOCGV-UHFFFAOYSA-N	546.067	1.697	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	223317836	FTFSNOYQRPIIBH-UHFFFAOYSA-N	537.660	1.488	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	585271822	CWSYIRMVWQAMIG-NDEPHWFRSA-N	558.607	1.247	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CCC(F)(F)F)CC2	1548890594	UCYMZLXVMHSJIT-UXHICEINSA-N	576.638	1.333	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2oc3ccccc3c2C)c(N)n(Cc2ccccc2)c1=O	3314727	JYHKXTHBKQYYHH-UHFFFAOYSA-N	505.483	1.908	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1	71788395	DENHHFBQLLZEME-DQEYMECFSA-N	611.721	1.932	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O	252286755	HRKNNHYKWGYTEN-ZJEKVYBOSA-N	734.969	1.559	0	40	KDAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O	257626170	XQDBHSNYTFRCNJ-GSVFAYGISA-N	883.853	1.271	0	40	KDAB	biogenic
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643565507	HXYLMAABMXGPSI-PKTZIBPZSA-N	529.682	1.597	0	40	KDAB	
O=C1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCCC2)NC(=O)c2cc(Cl)ccc2OCCCCCN1	643570671	HUXUQKJXGUNAJL-IBGZPJMESA-N	529.059	1.439	0	40	KDAB	
CC1(C)C(=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@]4(C)CC[C@H](C(C)(C)O)O4)[C@@]3(C)CC(=O)[C@@]21C	1772591440	BWLJNNFSQWDPOQ-ZHDRDRSESA-N	664.833	1.814	0	40	KDAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1	13118100	ZOUCNWQLSZQLNG-UHFFFAOYSA-N	511.604	1.632	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)O	15968150	LKTUJUDNQJTEHZ-RXYZOABWSA-N	519.558	1.685	0	40	KDAB	biogenic
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1	20112222	KESKPSGBIQGYHJ-PKOBYXMFSA-N	524.643	1.729	0	40	KDAB	biogenic
CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)ccc1Cl	25388004	XCOHOSYNUNCBHV-UHFFFAOYSA-N	507.059	1.597	0	40	KDAB	
CC(C)CN(C(=O)CN(C)C(=O)c1cncc(Br)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32972005	HTDHCTBEPLLMSQ-UHFFFAOYSA-N	509.405	1.694	0	40	KDAB	
COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	67870827	ZTDVFYLELOANIE-USWKJHDZSA-N	512.676	1.965	0	40	KDAB	biogenic,in-vitro
CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O	95544284	ULGZDMOVFRHVEP-OUQSRZNGSA-N	733.937	1.786	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O	97993331	UDZROSMUVBPOGS-OAQYLSRUSA-N	539.036	1.849	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C)c(=O)n2Cc1ccccc1	12539879	YOLZYXXEXWKMNL-OALUTQOASA-N	511.579	1.387	0	40	KDAB	
COc1cc2c(cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2	77287222	GUJDLRRGLWFUSI-VAPPSUDISA-N	541.597	1.624	0	40	KDAB	in-vitro
CC(=O)OC[C@H]1O[C@H](On2c(-c3ccccc3)nc3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103531711	KWJKVIYKVIMPRC-ZJNQJMOLSA-N	568.535	1.575	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2	223215138	IKONASGWKDOBPQ-UHFFFAOYSA-N	539.632	1.664	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	643568303	OJXSPKGDOSTXMY-WIOPSUGQSA-N	583.661	1.217	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](C)NC1=O	643573111	LHFADOWVAULISJ-GQOCTPOGSA-N	528.581	1.547	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(C(=O)NC3CCCCC3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548891181	YJJLBHCANCEADP-YADHBBJMSA-N	601.730	1.382	0	40	KDAB	
C[C@H](O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	4016476	BKVMVOCMLZAROK-PGTVGAIHSA-N	562.623	1.308	0	40	KDAB	
O=C1NCCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1	9061022	KRRQOYCRUUYQSH-HXUWFJFHSA-N	521.437	1.677	0	40	KDAB	
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	13131585	DQGTVJBAUPFYTB-XMMPIXPASA-N	517.007	1.957	0	40	KDAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(OC)cc1OC	19817886	IYIHBAVTOIHFAV-ZEQRLZLVSA-N	524.574	1.957	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1	20676542	INBGWBUFMNCIKL-NRFANRHFSA-N	528.009	1.542	0	40	KDAB	
COCCN(C(=O)CSc1nc2ccc(OC)cc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24764748	SWJVYBCJPLWHHC-UHFFFAOYSA-N	510.576	1.824	0	40	KDAB	
CC(C)C[C@@H]1C(=O)NCC[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)NC1=O	82195399	BUVMDQSPTWIZGE-HXBJCGEWSA-N	670.811	1.458	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C/C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	100604308	KLQXPYFNSWYRBB-SYKGTZPCSA-N	518.559	1.141	0	40	KDAB	
CCN1C(=O)C(Cc2ccc(CC3C(=O)N(CC)C(=S)N(CC)C3=O)cc2)C(=O)N(CC)C1=S	100644143	BXOIHILUVAORSK-UHFFFAOYSA-N	502.662	1.995	0	40	KDAB	
COc1cc([C@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	524731406	WHFVVQOERJJWEF-GIVPXCGWSA-N	599.662	1.617	0	40	KDAB	biogenic
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@@H](C)NC1=O	643572827	JKLIENYMDLHNJY-ZNFSXRAMSA-N	579.698	1.362	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@@]34[C@H]5C[C@@]6(O)[C@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@@H](OC)[C@H]32)[C@H]14	2060990650	RIPYIJVYDYCPKW-APJADOAOSA-N	687.783	1.219	0	40	KDAB	
COc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1	19824662	NJCCIYYBGVDOAJ-UHFFFAOYSA-N	503.669	1.268	0	40	KDAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C=C3[C@H](OC(C)=O)C[C@]4(O)[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)CC2)[C@@H]1O	253500623	DPFSNFFFCPHBOW-FLHLNYGISA-N	606.709	1.687	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC	643567853	ZZXNGUNUHUOQBP-UIOOFZCWSA-N	618.687	1.883	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Br)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4990508	ZKKFZJLKAPCULX-VDRZXAFZSA-N	530.324	1.262	0	40	KDAB	
COc1ccc([C@H](c2c(N)n(C)c(=O)n(C)c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	13134443	QWNQEVLGLNFQFA-JOCHJYFZSA-N	513.620	1.079	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	20032390	PIDITLSSGSHNIZ-UHFFFAOYSA-N	523.633	1.187	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	22525022	AKRYZVPCXNLEKO-UHFFFAOYSA-N	513.594	1.558	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1	66138818	XKMDWNNXLDPPFM-UHFFFAOYSA-N	542.630	1.962	0	40	KDAB	
COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)c(OC)c1	524730142	XDAYZVXWIATQOR-SOFGYWHQSA-N	559.641	1.975	0	40	KDAB	biogenic
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582713	VDLLBIGLLMGSRK-GOTSBHOMSA-N	565.675	1.086	0	40	KDAB	
Cc1[nH]c2ccccc2c1C[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	953075806	RVWNMGKSNGWLOL-RARJGGPXSA-N	887.059	1.337	0	40	KDAB	
O=C1C=CCC2(CCN(CC(=O)N3CCCCCC3)CC2)C(=O)NCCCNC(=O)c2ccccc2OCCN1	1615125813	HEVOSKAUFACTHB-UHFFFAOYSA-N	553.704	1.862	0	40	KDAB	
COCCOCC(=O)OCCOCC(=O)Oc1ccc(-c2coc3cc(OC)cc(OC(=O)COCCOC(=O)COCCOC)c3c2=O)cc1	2060997142	BJAWAZPABXIOTF-UHFFFAOYSA-N	720.677	1.725	0	40	KDAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2)CC1	9404814	RSKLJUHLNIPQIY-UHFFFAOYSA-N	500.533	1.628	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccco4)C(=O)N23)cc1	29749109	ICTPYWITSAXRQS-JOCHJYFZSA-N	594.675	1.684	0	40	KDAB	
COCCN(C(=O)COC(=O)c1cc(=O)c2ccccc2o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666486	WRYCJQOTKCCMEJ-UHFFFAOYSA-N	520.498	1.110	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1	97982622	CJGVSOCQZBRYPN-HZPDHXFCSA-N	538.652	1.731	0	40	KDAB	
COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(=O)N3)cc1	100229973	AAJRNGVGCMMRDS-NRFANRHFSA-N	553.475	1.181	0	40	KDAB	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2	102243959	CEPSEKCGFASQRU-QGZVFWFLSA-N	539.632	1.870	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569488	XUWUMTNZMLYIAQ-DHLKQENFSA-N	529.682	1.549	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(C)c(C)c(=O)oc2c1	2109907	KXINCAOQEWAXDE-XHCCPWGMSA-N	513.591	1.483	0	40	KDAB	biogenic
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(F)c(F)c4)CC3)nc21	2316313	HREGVEAJKXHWDN-UHFFFAOYSA-N	502.503	1.625	0	40	KDAB	
CC(=O)N1CCN2c3ccc(NC(=O)Nc4ccccc4)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	9215972	KQRPKCBSIUQEHF-OAQYLSRUSA-N	504.547	1.961	0	40	KDAB	
COc1cc(OC)c(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1OC	9330810	NAJCNEOKRXDQLG-UHFFFAOYSA-N	518.573	1.629	0	40	KDAB	
CCC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21)=C1C(=O)N(C)C(=O)N(C)C1=O	9348143	RTSMNZWJNKGTGF-SFHVURJKSA-N	522.562	1.375	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@H]2SC1	101647150	JVEJCSQMNQSWSK-YVEFUNNKSA-N	522.889	1.734	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC)c(OC)c4)C3=O)CC2)cc1	102895805	UOUBGEVCVMYWDN-VWLOTQADSA-N	546.602	1.013	0	40	KDAB	
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCOCC1	408714549	CTPHUFSJHIMOTO-UHFFFAOYSA-N	541.673	1.703	0	40	KDAB	
C[C@@H]1O[C@H](CO[C@@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3C=C[C@@]35OC[C@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@]45C)[C@H]2CO)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000926	GPRYEOJEOMZURB-DCURQSGRSA-N	795.020	1.677	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@H]3SC2)s1	2783521	XRFBNNUAPBPTOX-IINYFYTJSA-N	520.540	1.743	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	6511872	YAQKKPAGOYYBGW-BKVOUIBNSA-N	596.630	1.229	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1	19216796	WPRLTQJHZYALAP-JOCHJYFZSA-N	510.599	1.453	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1	20676907	WDBRCXCBJKFRIU-QFIPXVFZSA-N	528.451	1.923	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O	59776341	PLORCKNHUZJPKH-AVNPKAOGSA-N	580.542	1.953	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC	59837542	HJTSMYPCKMNQCE-UHFFFAOYSA-N	547.655	1.901	0	40	KDAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](O)[C@H](O)[C@@H]1O	70665509	IQPQUCSPCDSVLE-GIKVSCDTSA-N	629.615	1.874	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)ccc1-n1cnnn1	100471635	GMCUFBGOBFBVMP-UHFFFAOYSA-N	566.579	1.667	0	40	KDAB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	260885995	BZWVPUGLFRHDIQ-QGZVFWFLSA-N	576.093	1.719	0	40	KDAB	
COc1cccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	260890707	QINLYYGIDPPUPI-GOSISDBHSA-N	541.648	1.066	0	40	KDAB	
COc1ccc(CCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643565245	FBASYXZXVSMTOQ-WIOPSUGQSA-N	524.618	1.534	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC(=O)N[C@@H](Cc2cnc[nH]2)C1=O	643567963	GCTIBCFXRCNNLL-ZEQRLZLVSA-N	546.628	1.226	0	40	KDAB	
COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(C)C)C(=O)CF	1350724239	WXGZOFIAKJDRQM-MZPOKIFTSA-N	919.913	1.700	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21	1534613208	QKARVVYWZLMDRE-SCTDSRPQSA-N	503.547	1.056	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)O[C@H](CO)[C@@H](O)[C@H]1O	1772592001	VWNXVBDTFXPNPS-OUCBJNTJSA-N	897.113	1.089	0	40	KDAB	
Cc1cc(OCCNC(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)O)cc1Cl	2037879621	HSYSMUJRILXUOO-SFTDATJTSA-N	505.999	1.928	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1	8694011	LDEYASRELOIXJG-CCEZHUSRSA-N	509.606	1.789	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)Cc1nnnn1C[C@H]1CCCO1)OCO3	20109428	SSMHBCNOIMBRRF-HXUWFJFHSA-N	511.583	1.147	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	20755927	UILXXRNYDXFAKY-XECMSXCGSA-N	506.559	1.241	0	40	KDAB	biogenic
COc1ccc(N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	59837555	QCSCZMCNFIDKPL-UHFFFAOYSA-N	549.627	1.872	0	40	KDAB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(N)=O)C(=O)O)CC1	100771911	HMHBYTHXWJFQDH-ZGXWSNOMSA-N	518.611	1.490	0	40	KDAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	247753463	BYMLPPUTYPTYIM-YPZLOKHQSA-N	672.915	1.500	0	40	KDAB	
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C	253529667	LDPUCURQYIRVQU-RERJJKMISA-N	670.881	1.875	0	40	KDAB	biogenic,in-vitro
CO[C@H]1[C@]2(O)C[C@H]3[C@]45[C@H](OC)CC[C@@]6(CC(=O)c7ccccc7NC(C)=O)CN(C)[C@@H]4[C@@H](C[C@H]65)[C@@](O)(C[C@H]2OC)[C@@]13O	255962850	APSFXRUTRLTKQA-SWMMNARDSA-N	584.710	1.610	0	40	KDAB	in-vitro
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OCC[C@@]1(F)O[C@@H](n2ccc(O)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	299817297	SJRRUYALNGAWON-QATPPUQLSA-N	559.484	1.779	0	40	KDAB	in-vitro
COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(OC)nn2)c1	409384244	BPIDMYYCZSVUMX-NHCUHLMSSA-N	525.470	1.977	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCNC1=O	643568401	RJVJWOZDLAZJIE-JYFHCDHNSA-N	600.761	1.102	0	40	KDAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	4016603	ARFLLJAVJWZYBL-FSSWDIPSSA-N	540.617	1.383	0	40	KDAB	
CCC[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6501528	QRNWGLGYBPLDCQ-HUUCEWRRSA-N	503.581	1.659	0	40	KDAB	
C[C@@H](O)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)O	12866537	MEDFAQGSENSRJO-NQERJWCQSA-N	516.595	1.793	0	40	KDAB	biogenic
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C[C@@H](C)O1	15940755	XSZORROSSCNIID-QZTJIDSGSA-N	523.633	1.758	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl	20031455	GUJSJKISDSSZJU-AWEZNQCLSA-N	504.030	1.972	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337850	BXKBSNSILDKQDC-UHFFFAOYSA-N	523.059	1.762	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(O)cc3)n2)o1	100290867	YKLCRQYTCZYFCM-BVAGGSTKSA-N	567.647	1.535	0	40	KDAB	
COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@@H](C)C(=O)OC)CCOCCOCC1	104032271	BLLUYOYGDIMHEX-UEQSERJNSA-N	574.712	1.394	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1	585280247	KTOUAYUOEJLCRQ-MUUNZHRXSA-N	524.618	1.870	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CCC(=O)N2CCC[C@@H]2C(=O)N1	643570508	CLYYKWLEBJZNPH-RNJSZURPSA-N	528.650	1.725	0	40	KDAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C(C)=O)cc2)CC1	38784339	DYQRJBIPEBWQCF-QHCPKHFHSA-N	507.591	1.376	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)O)C(=O)CF	71788520	PYXKCONTYDRPRE-LWQANXONSA-N	616.643	1.373	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C	76945583	FAXGPCHRFPCXOO-CACJBIINSA-N	685.904	1.467	0	40	KDAB	in-vitro
O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1	97957222	CURCSRJBTARHQB-GMLYINLCSA-N	548.640	1.850	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2cccc(Cl)c2)cc1	100229963	WFUJFHKKXZPNIP-HXUWFJFHSA-N	557.894	1.826	0	40	KDAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1)N1CCOCC1	100446151	KDGZPHKNGYJQJS-UHFFFAOYSA-N	617.685	1.704	0	40	KDAB	
CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)ccc21	102226152	HPIPYHZFIYNAND-HSZRJFAPSA-N	535.575	1.345	0	40	KDAB	
CCN(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1	226071056	DYYRIEQEBJYAQF-UHFFFAOYSA-N	504.030	1.762	0	40	KDAB	
COCCn1cnc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)ccc21	257281624	OQDZCFVWLAQBEM-DFBJGRDBSA-N	535.609	1.374	0	40	KDAB	
CCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	504238377	RIXAWIIOMSMOQB-MASZLTEFSA-N	578.644	1.934	0	40	KDAB	biogenic
Cc1ccccc1C(=O)OCC(=O)OCC(=O)OCCOC(=O)COC(=O)COC(=O)c1ccccc1C	2060989923	XGAPUITVSVXPEJ-UHFFFAOYSA-N	530.482	1.490	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O	6190437	VOBAMTUXDLOETR-PIATZUFCSA-N	571.675	1.462	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6547088	YZTPYJOJXYIUJZ-FQEVSTJZSA-N	511.560	1.906	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1	13101751	ALYDPTSJAQCYGA-UHFFFAOYSA-N	506.577	1.965	0	40	KDAB	
O=C(COC(=O)c1ccc(Br)o1)NCCNC(=O)COC(=O)c1ccc(Br)o1	38139362	RARRQGGOBXUNHQ-UHFFFAOYSA-N	522.102	1.644	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)n1	38772799	DPPLHXKYHKXFER-UHFFFAOYSA-N	522.584	1.976	0	40	KDAB	
COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(=O)N3)cc1	100229971	AAJRNGVGCMMRDS-OAQYLSRUSA-N	553.475	1.181	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)c2)C[C@@H](C)O1	150508471	WHSPVTQWAMOMHP-COPRSSIGSA-N	652.744	1.865	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@@]45C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	247647492	KYWSCMDFVARMPN-JMWKFEQZSA-N	780.993	1.777	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@]12C	253402690	OODLPYNTTOEQHX-SCGXBWATSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566019	OJJFJTXCJCOHIX-XJUOHMSHSA-N	527.666	1.446	0	40	KDAB	
CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCCOc2ccccc2C(=O)N1)c1ccc(F)cc1	643568417	BDDRLTADPSTFKJ-GOTSBHOMSA-N	564.618	1.367	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2)OC[C@H](O)[C@H]1OC(C)=O	1529054410	GBPDDYORNLOZID-SBEPWFGSSA-N	841.001	1.230	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC	885931	NJFQGHRGWLQVGK-IBGZPJMESA-N	529.642	1.356	0	40	KDAB	
Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCCC3)cc1)CN2S(C)(=O)=O	224400746	ZWAYKEDOXYYBGL-QHCPKHFHSA-N	537.660	1.892	0	40	KDAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409386876	HDASYPQFKGPMMX-SBXHHDGASA-N	575.599	1.807	0	40	KDAB	
C[C@@]1(N(CCNS(=O)(=O)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1	575421456	IMOXAFBUPBKFDS-LJQANCHMSA-N	508.590	1.511	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643569054	JXWTVBHRIQKKGH-HVCNVCAESA-N	550.656	1.781	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643569234	OVNFYJCERVZMJF-JYFHCDHNSA-N	554.644	1.761	0	40	KDAB	
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O	8234396	FEPMHVLSLDOMQC-HWJXJZSMSA-N	823.904	1.204	0	40	KDAB	in-man
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	10289041	AGWZCYUBWVJEDO-UHFFFAOYSA-N	507.634	1.935	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(I)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97986740	BACZETLXMXQASX-UTBUEMAESA-N	549.314	1.326	0	40	KDAB	
O=C(N[C@@H]1C[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)c1ccc(OCCN2CCCC2=O)cc1	257281537	OPRDRNOARPBZLL-GJHDXROTSA-N	571.638	1.905	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@@H]1C[C@H]2O	4534332	OVMSOCFBDVBLFW-LDLAUOGYSA-N	586.634	1.653	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1	6546347	BJQJBMFQZPPLKB-WMZHIEFXSA-N	542.618	1.838	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)/C=C/c2ccccc2OC)c(N)n(Cc2ccccc2)c1=O	13026762	MZHACPFTZNEORI-OUKQBFOZSA-N	507.499	1.261	0	40	KDAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(S(N)(=O)=O)cc3)cc2)nc(OC)n1	97945361	LETCYLHQKFIXRN-UHFFFAOYSA-N	524.606	1.751	0	40	KDAB	
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1	97981019	WPGGTLXOOSJELG-VOTSOKGWSA-N	523.365	1.999	0	40	KDAB	
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	253501136	ZTLZGWDERZVHNS-MCZNJLKMSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1NC(=O)CN(C)C(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCNC1=O	643568576	WNPYBPRQGIMFCZ-ABYGYWHVSA-N	639.725	1.287	0	40	KDAB	
CN1CCC(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1	643579181	VMBVTPGTBASTGM-LOSJGSFVSA-N	516.683	1.673	0	40	KDAB	
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750590	NZDCGZOHJTWGOX-RVUGBDECSA-N	801.024	1.120	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3C[C@@]4(C)[C@@H](C[C@H](O)[C@@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]54C)[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	2061000741	JBGYSAVRIDZNKA-ILZLFKRZSA-N	801.024	1.359	0	40	KDAB	
C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	67911594	CMHWMOGWFZWDMR-OPZJTMTMSA-N	536.662	1.429	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	252463643	MUEUOXPTUMGVJS-YQRYFROCSA-N	838.985	1.562	0	40	KDAB	biogenic,in-vitro
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643569508	YNYLNNGUIUCGIV-BVSLBCMMSA-N	516.639	1.584	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](c3ccc(F)cc3)CC(=O)N2)n1	643569559	JJKYBNRXVCAJLC-DZFGPLHGSA-N	574.679	1.129	0	40	KDAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	4016601	ARFLLJAVJWZYBL-FKBYEOEOSA-N	540.617	1.383	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CCN(C)CC1	225513548	ZHGYQRLLKPXYKR-HXUWFJFHSA-N	520.677	1.971	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC)C[C@@](OC(C)=O)([C@@H]([C@@H](OC)[C@@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccccc1	253492316	PHDZNMWTZQPAEW-XALRSVQHSA-N	629.747	1.677	0	40	KDAB	biogenic
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)N[C@H](C(C)C)C(=O)N1	643565336	XADPZVPZMYDBFN-PPJWLVRDSA-N	543.709	1.841	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)cn4)[C@H]3SC2)s1	9355859	LEANVNGAASSOPT-QRPAFPMESA-N	501.015	1.788	0	40	KDAB	
CC(=O)N[C@H](CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	23077478	INMKPIOFLLHFPH-OAQYLSRUSA-N	507.996	1.984	0	40	KDAB	
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1	67890431	UMGMTZUWNZAXQY-CLAROIROSA-N	549.999	1.949	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCCSc1nnnn1-c1ccccc1	97987808	CFRIAEXRTHRLEB-UHFFFAOYSA-N	558.672	1.904	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3[C@@H]3OC(=O)c4c3ccc(OC)c4OC)CC2)cc1	102890827	QENDMHXEERBBSA-UQBPGWFLSA-N	559.597	1.406	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1	222718673	BNUQJGNFUFDFLT-QFIPXVFZSA-N	530.691	1.783	0	40	KDAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222776314	PDBQLIXFMZTGSG-QGZVFWFLSA-N	510.012	1.903	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1	224216790	DKJVUWKEMHITSC-UHFFFAOYSA-N	507.993	1.691	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)cc1	225498193	OFGONOLJMRZBJM-UHFFFAOYSA-N	507.634	1.936	0	40	KDAB	
CC(C)N1CCN2C(=O)c3ccc(-c4cnn(C)c4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3	253405988	UBICTNYIUXEFMY-ALJFMCDRSA-N	511.623	1.429	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643564817	IBQCDHZKRAALBU-LDXFMPRXSA-N	543.709	1.840	0	40	KDAB	
O=C(c1ccc(O)nn1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578590	ZGCNMADLMNCWQV-FCHUYYIVSA-N	513.595	1.141	0	40	KDAB	
COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)O2)cc1	2055793433	DBQXZWXEXSZEGF-LJQANCHMSA-N	500.581	1.020	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21	5665528	JELXXCPBJSOBIB-ZQWWELHWSA-N	572.618	1.640	0	40	KDAB	
CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1	38152367	RDWAOZLACONENR-AWEZNQCLSA-N	527.448	1.583	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1O	67903589	DRZYJIXQEOTQDA-OLMCVKOLSA-N	666.849	1.405	0	40	KDAB	biogenic,in-vitro
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C	95543232	MTWXTVPPJSYYJK-FHUIGARWSA-N	851.077	1.606	0	40	KDAB	
COc1ccc(CCN2C(=O)C[C@@H](N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)C2=O)cc1OC	102988040	OYIYUTTXHGYTAI-JRVGGCGHSA-N	513.616	1.992	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)c1	222567705	UZZAOOGKZGMNSW-GOSISDBHSA-N	525.649	1.508	0	40	KDAB	
COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222932422	WMKZCFGJNOWMRA-HXUWFJFHSA-N	549.646	1.275	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](OC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253535142	PEDLHTCZTNWMIO-BMJMQCHVSA-N	945.877	1.615	0	40	KDAB	
COc1cc(CN(C)C[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585272889	NHPARNHBVLWVRC-SANMLTNESA-N	500.644	1.335	0	40	KDAB	
CC(=O)N1CCCN(C)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)Cc2ccccc21	643554202	NDZIIJRCCBZQHT-QHCPKHFHSA-N	530.695	1.846	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643569259	QTJXUKBJNVJSKJ-RNXOBYDBSA-N	563.699	1.744	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1	19216779	DMBUDGSGWOORHS-JOCHJYFZSA-N	513.599	1.960	0	40	KDAB	
O=C(CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCCN12)N1CCOCC1	100201859	FNNKSNDAVJMNBK-WQVVOCBYSA-N	514.582	1.761	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	100971919	PLWWVHPEIBSZTL-BOPFTXTBSA-N	532.556	1.667	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(N)n(Cc2ccccc2)c1=O	103101695	XHUUDADCDUVAIU-UHFFFAOYSA-N	596.552	1.654	0	40	KDAB	
C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777345	MBBZRQOJIBSSAP-SFHVURJKSA-N	540.038	1.266	0	40	KDAB	
Cc1cc2nc(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)[nH]c2cc1C	257302068	SBGYHHSWERWGDB-KMRXNPHXSA-N	563.659	1.633	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)C[C@@H](C)O1	643565527	HXNRODFYITYXPN-IOBRTOJZSA-N	550.656	1.778	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643566604	UHBHGYNOVCWSCE-KYJUHHDHSA-N	627.742	1.902	0	40	KDAB	
CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(OC)c3)CC2)cc1	19818687	HVYHHMYDTRDULO-DEOSSOPVSA-N	509.607	1.572	0	40	KDAB	
CC(C)(C)NC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	28644284	LHHCSNFAOIFYRV-VKESLTNKSA-N	519.687	1.711	0	40	KDAB	
CCn1c(S[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2NC(C)=O)nnc1-c1ccccc1	103505597	KTNMCEHJGUQNFK-ANZUNKEZSA-N	534.591	1.713	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225173008	XUXMYTKDERWWMY-UHFFFAOYSA-N	569.658	1.672	0	40	KDAB	
COC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1Cl	225204857	QBZOKXHPPBKEQH-UHFFFAOYSA-N	504.970	1.957	0	40	KDAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(I)c2)C1=O	408548232	FAIKZHSRHRGKIH-ONNFQVAWSA-N	539.076	1.583	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CS(=O)(=O)C[C@@H]2N(S(=O)(=O)c2cc(Cl)ccc2C)[C@H]2CS(=O)(=O)C[C@H]21	575425001	DFTZJXQYMDPTHN-XLLXOSNRSA-N	643.614	1.637	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CCC(=O)NC2(CCCC2)C(=O)N1	643571477	BQVONSKHQSFTKW-GOTSBHOMSA-N	552.676	1.930	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O)C[C@@]12C	1529054486	HJRVLGWTJSLQIG-NMLRJEIMSA-N	770.998	1.759	0	40	KDAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	10385827	VLIZZZQKYJMUOA-WOJBJXKFSA-N	514.535	1.470	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1	59852126	YEPIIRFBLLSLRP-UHFFFAOYSA-N	539.676	1.742	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)Cc1nnnn1Cc1ccc(F)cc1)OCCO3	100369063	NFUHZVJTFIIZLK-UHFFFAOYSA-N	535.580	1.808	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1	222873194	UGKOIACBTGENJV-OAQYLSRUSA-N	548.681	1.922	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)C[C@@]12C	254194447	YURJSTAIMNSZAE-GSBPSHHCSA-N	801.024	1.120	0	40	KDAB	endogenous,in-man
C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	299817767	SLAWMGMTBGDBFT-XKSPGJGDSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)cc3OC)cc2)c(OC)c1	575424988	DEZOFRHEYUFNSD-FCHUYYIVSA-N	642.730	1.875	0	40	KDAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1C	575425714	HOQFUEGOUXARHE-HSZRJFAPSA-N	588.682	1.246	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)NC2(CCCCC2)C(=O)N1	643571466	BJFJEJGLHZSURU-GOTSBHOMSA-N	543.709	1.985	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCCOC[C@H](O)[C@@H]1O	643584450	AUUSWSDKFOCDRG-FUDKSRODSA-N	519.561	1.732	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)OCCO2	13672129	GATPOLGYIKBRRJ-UHFFFAOYSA-N	523.633	1.455	0	40	KDAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	20237524	BXDRAMTYSPJGPL-UHFFFAOYSA-N	518.013	1.774	0	40	KDAB	
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	49908172	FAXGPCHRFPCXOO-LUFVGXTESA-N	685.904	1.467	0	40	KDAB	in-vitro
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1	70687584	ONACSDWHVUFOGW-OALUTQOASA-N	543.664	1.068	0	40	KDAB	biogenic
CC(C)CN(C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982449	KDSRRYBVNOPWLH-UHFFFAOYSA-N	532.557	1.260	0	40	KDAB	
COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224487524	XHYGFWWFHWTDOV-UHFFFAOYSA-N	555.675	1.458	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@@]5(O)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	252694393	KBGNYIWYDYVUFP-DPWLNTSASA-N	793.948	1.607	0	40	KDAB	biogenic
CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc21	260888211	JYPHPENHGIZHLQ-OAQYLSRUSA-N	509.606	1.193	0	40	KDAB	
CCCCC[C@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)C=CC=CC=CC=CC=C(C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O	1503317119	IMQSIXYSKPIGPD-PTTFSELCSA-N	654.838	1.888	0	40	KDAB	
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@@H](O[C@H]8O[C@H](C)[C@@H](O)[C@H](O)[C@@H]8O)[C@@H](O)[C@H]7O[C@H]7O[C@H](C)[C@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@@H]5CC[C@@]34C)N2C1	2060993448	TYNQWWGVEGFKRU-JOHVBLAWSA-N	852.072	1.183	0	40	KDAB	
COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(OC)cc5)C4)CC3)CC2=O)cc1	9969669	BPLICWXNVPPLFE-PMACEKPBSA-N	520.586	1.781	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	12950955	IIKYGDKDGOUXEV-INIZCTEOSA-N	517.560	1.551	0	40	KDAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc(O)c2cc(Br)cc(Br)c2n1	17466120	ZSEFFUVQEMHEOM-LLVKDONJSA-N	536.246	1.986	0	40	KDAB	
CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCCN2CCOCC2)c(=O)c2cc3c(cc21)OCO3	20621805	FJSOCOJEKNILRA-FQEVSTJZSA-N	500.596	1.733	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1	95859735	RIPYIJVYDYCPKW-NNSXUSQFSA-N	687.783	1.219	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)cc1	97960058	TVGPZUIFJRRSJE-UHFFFAOYSA-N	548.672	1.989	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	224250547	OYEAUSWPXLTVMH-FQEVSTJZSA-N	516.041	1.939	0	40	KDAB	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)CC3	1775953441	XEKFDUNPKACYAY-SODISJPWSA-N	946.990	1.192	0	40	KDAB	
Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1	12006458	QOVFISWNJGUNSW-UHFFFAOYSA-N	510.532	1.797	0	40	KDAB	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1	12927988	TZWBCDANZUGZHD-UHFFFAOYSA-N	501.652	1.979	0	40	KDAB	
CCCOc1ccc(/C=c2\s/c(=C\C(=O)OCC)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1	13147695	VAOJRIZKZZZBSY-KLFBBHJLSA-N	524.595	1.916	0	40	KDAB	
CSCC[C@@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O	15999055	KTCGAIUTVCWFPT-UXHICEINSA-N	513.682	1.859	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1	22609768	FKRGCZICQRPVQW-QHCPKHFHSA-N	509.607	1.177	0	40	KDAB	
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccc(S(N)(=O)=O)cc1	32971707	BTGYYQPMMGPJDE-CYBMUJFWSA-N	515.573	1.795	0	40	KDAB	
O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223005010	MAVAZKPUIOQHAE-NDEPHWFRSA-N	581.691	1.835	0	40	KDAB	
CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC	253598316	HYTGGNIMZXFORS-IALFYWKKSA-N	793.948	1.607	0	40	KDAB	biogenic
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1cc(Cl)c(O)nc1=O	257300207	RTJGECPWWVUKRS-LVXARBLLSA-N	561.035	1.991	0	40	KDAB	
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCN1C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3CN2C1=O	604403985	HFNONDKRJXORON-VXKWHMMOSA-N	520.586	1.872	0	40	KDAB	biogenic
CC(C)CN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888982	DOOQMHOUFJCGMK-YADHBBJMSA-N	536.695	1.036	0	40	KDAB	
COC[C@]12CN(C)[C@H]3[C@H]4[C@H](OC)[C@H]1[C@@]3([C@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)CC[C@H](O)[C@@]4(C)[C@H]1[C@H]2OC(=O)c1ccccc1	2061000066	CLNODDZVJJQWNZ-BFMUUCAMSA-N	615.764	1.743	0	40	KDAB	
COc1cc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1O	70670202	KPTJPGDTFBINCW-SJORKVTESA-N	620.444	1.866	0	40	KDAB	
O=C(O)[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)C[P@@](=O)(O)CCCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	77292882	MEKOZVBEQBWEGK-CXOPANLHSA-N	611.625	1.513	0	40	KDAB	in-vitro
COC(=O)[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)[C@H](O)[C@H]1O	123279969	IVTQNSRENYRSBR-VQKJHDDLSA-N	524.651	1.573	0	40	KDAB	
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C	242687705	URJQSMIFSMHWSP-IKJXRYHYSA-N	572.765	1.484	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	257390713	BVDGQVAUJNUPGW-ARBJCQIUSA-N	646.642	1.058	0	40	KDAB	biogenic
CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(/C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O	604220394	IMQSIXYSKPIGPD-AHBREGOLSA-N	654.838	1.888	0	40	KDAB	in-vitro
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643566982	NNIGMCSSWRHHOH-CVDCTZTESA-N	524.618	1.726	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1	2730755	KEWFPRTVCZZPJJ-DOMZBBRYSA-N	534.567	1.901	0	40	KDAB	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1	12863110	JWKYKNSNJGGLQI-PMACEKPBSA-N	513.682	1.859	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1C	20031937	IIZWFVWUAJEAGZ-LJQANCHMSA-N	509.650	1.971	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(=O)c2cc(C)nc3ccccc23)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102324071	JCCLBWKUDXCGMB-GAQRMDFMSA-N	516.503	1.356	0	40	KDAB	
CN1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)CC1	224251985	GXGYFYXNMDJWKQ-UHFFFAOYSA-N	545.083	1.335	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(C)=O)[C@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O	252463615	JEQWQKAKFXGXKA-IKRWWCRQSA-N	740.899	1.168	0	40	KDAB	biogenic,in-vitro
CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H]([C@](C)(O)[C@H](O)CC)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@@H]2C)C[C@@]1(C)OC	255980533	JEBMHQVCOAWRCT-POWWZQFNSA-N	806.092	1.928	0	40	KDAB	
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H](O)CC[C@@]43C)[C@]2(C)CC[C@H]1O	514287913	IEDTVFQRYOEXGI-GNRZZPTGSA-N	512.684	1.574	0	40	KDAB	biogenic,in-vitro
Nc1cc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)ccn1	643577563	AMGCOQDGKAUBGZ-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O	2332242342	IAGSHEHQJJTLLR-OJNFVRNNSA-N	883.082	1.984	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(S(N)(=O)=O)ccc21	100877523	YYAMRZMKWJQEOU-GYHWCHFESA-N	516.557	1.308	0	40	KDAB	
COC(=O)c1ccc(C(c2c(O)n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)cc1	101087884	UTHPISVWSRFEHS-UHFFFAOYSA-N	614.567	1.760	0	40	KDAB	
O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1	101440099	CURCSRJBTARHQB-VIICAESSSA-N	548.640	1.850	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Cl)cn4)[C@H]3SC2)s1	103147381	LEANVNGAASSOPT-JFXJWUOYSA-N	501.015	1.788	0	40	KDAB	
C[C@]12CC[C@@H]3c4ccc(O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O	103654451	XZXBPAODZJETKT-DNMLJSFZSA-N	528.576	1.002	0	40	KDAB	
COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(=O)CO)CC[C@H]5[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O	123279131	UHXRPNKSNMPJSI-RMVJIDKOSA-N	524.651	1.573	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1	222782489	KNLLULZKXHYSGZ-UHFFFAOYSA-N	509.650	1.952	0	40	KDAB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408657265	ORDDQXFQRUGEID-HNNXBMFYSA-N	518.320	1.911	0	40	KDAB	
CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2ccc(=O)n(CC(N)=O)c2)CC(=O)N1	643556478	MCVDSOCRNAIUBM-HXUWFJFHSA-N	560.051	1.563	0	40	KDAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)c3ccccc3OCCN3CCCC3=O)CC2)CN1	643565286	AYAYLNPWQMHAFR-LOSJGSFVSA-N	565.667	1.773	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643566582	SYDZQQNIHKXIEE-DQEYMECFSA-N	549.672	1.356	0	40	KDAB	
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643572763	HQQLMQWRBONRHJ-QZBIDKIJSA-N	625.723	1.312	0	40	KDAB	
COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	12542668	DWQLUZKNJMVXRG-UHFFFAOYSA-N	523.034	1.996	0	40	KDAB	
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCOCC1	12550922	RHUDTTPEGVEURX-UHFFFAOYSA-N	501.558	1.162	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CCC(=O)c2cccs2)c(N)n(Cc2ccccc2)c1=O	13148687	JNTIFGJDQKARMB-UHFFFAOYSA-N	513.528	1.264	0	40	KDAB	
CCC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	18190465	CRLPJMFLPBWYCX-NRFANRHFSA-N	505.531	1.363	0	40	KDAB	
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	100862481	ZAUSOJZBZXWUJX-HBEGMLAUSA-N	543.623	1.977	0	40	KDAB	
CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	223117811	NSOPCXLSXZMJIC-UHFFFAOYSA-N	526.706	1.912	0	40	KDAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1Cl	224693365	MBGZQAUDFGMSEW-UHFFFAOYSA-N	502.014	1.761	0	40	KDAB	
C[C@@H]1C(=O)O[C@@H]2[C@@H]1O[C@@]13O[C@@]4(CC[C@]5(C)C(=O)[C@H](C)[C@@H]2[C@@H]51)C[C@]12OC(=O)C[C@@H]1OC(C)(C)[C@@H]2C[C@H](O)[C@H]4C3=O	247933217	CWFGQJNQESAHDH-FFRDASICSA-N	544.597	1.483	0	40	KDAB	biogenic
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	253532147	FNIRVWPHRMMRQI-UBGMCSNLSA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O	257455373	JLLVQPKAQVOYFS-MIOOBEKASA-N	758.921	1.124	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565512	IBPYGMNDDYOSOX-VXKWHMMOSA-N	515.655	1.159	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCNC1=O	643568557	VSTXTKDBBNBVME-IGVZRYHESA-N	728.847	1.406	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)NC3(CCCCC3)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643579352	UFEWGCOIIZSPLO-LOSJGSFVSA-N	585.746	1.708	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643580935	ZZMKFEVLTPKYDG-ZDCRTTOTSA-N	712.848	1.837	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(Cc2cccc(OCCn3cc(C)cn3)c2)CCCCOC[C@H](O)[C@@H]1O	643585328	ZKCFZUWYWDZTFN-KCHLEUMXSA-N	532.682	1.858	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN(C)Cc2ccncc2)CCCCOC[C@@H](O)[C@H]1O	643586706	UQETZCBHKBZVKS-AMBDWCSGSA-N	522.687	1.152	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O	1547138086	ULGZDMOVFRHVEP-PAQIBECHSA-N	733.937	1.786	0	40	KDAB	
O=C1N[C@@H]2CCN(CC(=O)N3CCOCC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1	1615130429	YJLJFNSGNBKABJ-NXCFDTQHSA-N	538.689	1.526	0	40	KDAB	
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	1775937907	GZXCUSYIKZQKML-DPZBCOQUSA-N	635.821	1.660	0	40	KDAB	
COCCN(C(=O)COC(=O)CCC(=O)c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	15940519	JUZWQPMKZFORLI-UHFFFAOYSA-N	522.558	1.661	0	40	KDAB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc3C2=O)cc1	16044441	MNTSOZKREFEBLQ-KRWDZBQOSA-N	500.529	1.688	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1	22835185	QSVMTNDNEAHICU-BLLLJJGKSA-N	510.878	1.556	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)[nH]c1=O	23077429	IVHJOGLXSHGXBK-UHFFFAOYSA-N	521.640	1.308	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O	38145784	FAUSPUYJVFVVQE-RUZDIDTESA-N	530.603	1.820	0	40	KDAB	
CCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(N)n(Cc2ccccc2)c1=O	103006938	CJMUAQUOUJOPAP-UHFFFAOYSA-N	579.601	1.868	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224254291	JMOWSVYARRMHSO-AWEZNQCLSA-N	505.565	1.565	0	40	KDAB	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	225569139	XSCVLRZGQFZLOT-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](OC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253535148	PEDLHTCZTNWMIO-XQCVSTRESA-N	945.877	1.615	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCCN)cc3)CC2)OC[C@@H]1n1cnc2c(N)nc(N)nc21	257285058	PFLDFTOVXMOETB-UUOWRZLLSA-N	510.599	1.106	0	40	KDAB	
O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1	1570001177	CDIYNVDROQJQRT-BMODKXSASA-N	549.492	1.276	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	12080683	ILMQYQKNUDPUEE-HXUWFJFHSA-N	511.984	1.179	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	35802824	YOCPCFLXSNTXKR-FKRWJQPVSA-N	526.977	1.504	0	40	KDAB	biogenic
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	102099257	QSLDVYOLXVLPKV-RPWUZVMVSA-N	554.600	1.965	0	40	KDAB	
O=S1(=O)CC[C@H](N(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1	575422378	BPPJQDCMIOJAQP-HDICACEKSA-N	617.576	1.964	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Br)c(C)nn4C)[C@H]3SC2)s1	2758673	LFLVEYPMNSAFLX-MEBBXXQBSA-N	545.466	1.795	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H]1OC(c2ccccc2)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)C1OC(C)=O	4403232	AVGQXSYFSKVNNV-GINHXURASA-N	510.492	1.391	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccco1	6546258	ZNVQQSLWBBWNDZ-XXBNENTESA-N	526.550	1.370	0	40	KDAB	
COCN1c2ccccc2S[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	8431480	VKCGIKJXWXVQAJ-SQDZQZBLSA-N	541.575	1.819	0	40	KDAB	
COc1cc(C(C)=O)ccc1COc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC	8685451	XFOYUSGIPKRYOF-IBGZPJMESA-N	505.545	1.946	0	40	KDAB	
COc1ccc([C@H](C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19825258	VODRNVYSZVZYNM-OAQYLSRUSA-N	530.651	1.407	0	40	KDAB	
COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N(C)S(C)(=O)=O)cc1OC	20033569	WIVAFHMQQOSLEJ-UHFFFAOYSA-N	527.621	1.051	0	40	KDAB	
COCCN(C(=O)COC(=O)COc1ccc2c(c1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079627	CIHDGKJTHVUWKR-UHFFFAOYSA-N	522.558	1.257	0	40	KDAB	
Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2N)cc1S(=O)(=O)N1CCOCC1	72119830	JBIIEPFSDLFGEW-UHFFFAOYSA-N	536.611	1.770	0	40	KDAB	
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103007007	PMBSZVHFTIGYMM-UHFFFAOYSA-N	577.512	1.959	0	40	KDAB	
CC[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	163996729	CXIREXDXJKLCIO-VSGBNLITSA-N	648.713	1.857	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	257199282	YFGQJKBUXPKSAW-KABJKYNCSA-N	969.128	1.642	0	40	KDAB	biogenic
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643566442	YLMSJUXRLVEFKW-RPWUZVMVSA-N	543.709	1.987	0	40	KDAB	
CCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCN(C(=O)OCC)CC4)ccc32)o1	27915113	DDZOULLOBSEMPJ-UHFFFAOYSA-N	507.521	1.875	0	40	KDAB	
COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(c4ccccn4)CC2)N3C)cc1	35442490	VLARLUFCBZMUML-LLGBQNBKSA-N	506.651	1.592	0	40	KDAB	biogenic,in-vitro
CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H]1C	52429266	WWWXDCNRNMZGEN-NUTKFHBRSA-N	546.698	1.566	0	40	KDAB	
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70700762	UGOUFGFCPZDETB-DKLXNKCPSA-N	528.565	1.790	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1	224272327	ZBGFIMMGQXZWCV-LJQANCHMSA-N	509.650	1.841	0	40	KDAB	
Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224441034	RTNHRDLRVICKHY-UHFFFAOYSA-N	525.649	1.286	0	40	KDAB	
C[C@@H]1CN(C2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl	618256613	JXDXZJWTZSNINH-CQSZACIVSA-N	565.018	1.515	0	40	KDAB	
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	2060989270	CDMXIQAFVXDSJS-JSYGFUOMSA-N	913.108	1.345	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Cl)cc4)CC3)nc21	2357856	PXBOAOTYMJGFTK-UHFFFAOYSA-N	500.968	2.000	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1	22609881	KJSSOIPWAAPPJS-DEOSSOPVSA-N	521.618	1.337	0	40	KDAB	
CCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38151086	WGUWLBMYBVNUKM-UHFFFAOYSA-N	547.659	1.235	0	40	KDAB	
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1	77301904	NGFMQMUIOUSHGR-RTCYWULBSA-N	599.044	1.805	0	40	KDAB	endogenous,world
CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1	103085782	MCSIJDRAHGMWSR-QGZVFWFLSA-N	527.020	1.894	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2ncn[nH]2)cc1OC	226011498	MZMRDYGUDRZIAG-UHFFFAOYSA-N	505.622	1.964	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226071279	HCLQPTMGLRYKTO-UHFFFAOYSA-N	509.650	1.849	0	40	KDAB	
C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	245241575	JIUQQLFQWGFIKL-LKWORUSISA-N	576.628	1.722	0	40	KDAB	
Cc1cc2nc(C)n(CC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)c2cc1C	257231406	GGOGYPVWIXXLRZ-SKCUWOTOSA-N	563.659	1.482	0	40	KDAB	
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br	575424522	TVSKRCLRIQTBSZ-GHMZBOCLSA-N	520.221	1.402	0	40	KDAB	
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	29747532	WMRSSFYKOQRJPM-IBGZPJMESA-N	528.529	1.805	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)CC2)cc1	30871028	LVWSQYRVIIINEK-FQEVSTJZSA-N	514.025	1.709	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	97986552	AQKPXOWLUQPPRH-MOVOHNSSSA-N	531.514	1.661	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1	223891991	NDIIQMWQKUUUGZ-KRWDZBQOSA-N	510.634	1.930	0	40	KDAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	225135644	SZIBHNPJKAEDSY-OAQYLSRUSA-N	511.622	1.899	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1	225328212	YSAMNDCALMOULB-UHFFFAOYSA-N	539.617	1.621	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	253532146	FNIRVWPHRMMRQI-PUJSUVPLSA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN(C)CCO)c1	643550534	NQUYDVKQVWJIKM-VOXZARHYSA-N	581.751	1.157	0	40	KDAB	
COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC	13138209	OIFUHJKATDBJQQ-UHFFFAOYSA-N	505.593	1.743	0	40	KDAB	
CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](C)C(=O)OCC	34893919	ANSPEDQTHURSFQ-KBPBESRZSA-N	526.535	1.232	0	40	KDAB	investigational
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CCC2	35526382	ZBZYPMQCLDTWFH-UHFFFAOYSA-N	506.606	1.052	0	40	KDAB	
CC(C)(C)OC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCOc1cccc(C(=O)NS)c1	72130559	GYNKDJOZCMTLDR-XMMPIXPASA-N	672.798	1.547	0	40	KDAB	in-vitro
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCn2c(nnc2C(F)(F)F)C1	85876776	KWMICOCFBPSRPP-CVEARBPZSA-N	531.539	1.498	0	40	KDAB	biogenic
O=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	103063273	KUYREVDPAFDQLT-UHFFFAOYSA-N	530.024	1.975	0	40	KDAB	
C[C@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700519	ZYTFDDRXVBEMTK-HXUWFJFHSA-N	519.620	1.002	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1	224483181	ZREBLILCCUBTFR-UHFFFAOYSA-N	565.592	1.688	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	224500640	WAISNFSKOXDDHN-UHFFFAOYSA-N	523.633	1.301	0	40	KDAB	
S=C(NCCN1CCOCC1)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1	225903854	FUSWHNRQBDUMQT-UHFFFAOYSA-N	512.684	1.258	0	40	KDAB	
COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)cc1OC	524730189	YWOSYIFKIQUOTC-SOFGYWHQSA-N	559.641	1.975	0	40	KDAB	biogenic
COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	9600359	KCHYGSCIOAXLKH-QFIPXVFZSA-N	519.620	1.451	0	40	KDAB	
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O	12566842	JAYYTKONGNRQTP-JOCHJYFZSA-N	506.968	1.767	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1	20676887	GFOVADPGYZJPNX-NRFANRHFSA-N	514.424	1.927	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97985350	WAEKSZJQJUDRCQ-VMAPGKTHSA-N	565.553	1.736	0	40	KDAB	
C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@H]4[C@H]5O[C@]5(C)CC[C@@]4(COC(=O)[C@@H]1O)[C@@]2(C)[C@@]31CO1	100623157	CLNDGDZYSDRNSO-VEGCTTRLSA-N	518.559	1.382	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)C[C@@H](C)O1	643566396	DGESOOJFGUIJLZ-MTNUWKHNSA-N	562.667	1.922	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@H]1N(C)C(C)=O	5082693	KVOAVYAOMXRKEN-ZLWLXJDCSA-N	510.507	1.318	0	40	KDAB	biogenic
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6547166	MCWLSGRZBNOCNO-SFHVURJKSA-N	501.590	1.949	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc2c(C)cc(=O)oc2c1	8834569	UXRGMYFQEBYUQU-PJKILVJMSA-N	505.476	1.136	0	40	KDAB	
COc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCc2ccccc21	17595748	NZUVCWOETPUERX-IBGZPJMESA-N	536.628	1.639	0	40	KDAB	
COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	20486099	QIQRWFMCGWOPQI-UHFFFAOYSA-N	503.986	1.993	0	40	KDAB	
O=c1[nH]c(=S)[nH]c2c1CN(CCCN1CCN(CCCN3CNc4nc(=S)[nH]c(O)c4C3)CC1)CN2	22795742	YCCSLVYARLVHRE-UHFFFAOYSA-N	534.716	1.059	0	40	KDAB	
COC(=O)[C@@]1(Cl)O[C@@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H]1Sc1ccccc1	77269851	UCRSUTGMKNMKAW-JODWSBPOSA-N	618.057	1.517	0	40	KDAB	in-vitro
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)ccc1N1CCOCC1	103011870	MCMBNSJMAPSZDP-UHFFFAOYSA-N	531.591	1.602	0	40	KDAB	
CCOc1ccc(N([C@@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224485804	IZFNBENUDWEFOF-DEOSSOPVSA-N	569.702	1.846	0	40	KDAB	
C[C@]1(O)COC2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21	257316821	VHDLRCNBTPJEMJ-XDHUDOTRSA-N	505.583	1.573	0	40	KDAB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)nn1	409381680	VJNHXXVHTOLQQS-LOSJGSFVSA-N	641.542	1.827	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565470	FLWWYZHVTHPIDL-HVCNVCAESA-N	549.672	1.354	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565774	NDJAJUUDBYQBQR-XZOQPEGZSA-N	529.682	1.549	0	40	KDAB	
Cc1cccnc1CN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889624	JLTOYXUQRQCKEG-NOZRDPDXSA-N	585.727	1.284	0	40	KDAB	
Cc1c(NC(=O)c2cccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)c(=O)n(-c2ccccc2)n1C	3226044	KDYZIUSGYFCYGV-UHFFFAOYSA-N	542.556	1.123	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	13669675	TXOLCKLVEMTUOR-UHFFFAOYSA-N	507.565	1.217	0	40	KDAB	
O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	20033160	IDXJNWZWNLNCFS-UHFFFAOYSA-N	507.634	1.397	0	40	KDAB	
C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccc(S(N)(=O)=O)cc1	32971709	BTGYYQPMMGPJDE-ZDUSSCGKSA-N	515.573	1.795	0	40	KDAB	
COc1ccc(NC(=O)Cn2c(=O)n(CCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc1OC	62728242	MIJYBFWOZUMJTN-UHFFFAOYSA-N	509.475	1.482	0	40	KDAB	
CC(C)C[C@@H]1N[C@@H](C)C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O	150354481	KMFLZDPCUPDECZ-MJWOEUGTSA-N	772.948	1.296	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C	2060993783	VNONINPVFQTJOC-XYEVQSSPSA-N	869.055	1.242	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4cc(Cl)c(C)n4)[C@@H]3SC2)s1	2809231	ULUSWTFNYOCDPK-BBRMVZONSA-N	515.042	1.926	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O	4099183	QNPQJKICJQEMBY-DAOOESDTSA-N	671.877	1.077	0	40	KDAB	in-vitro
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CSCC(=O)Nc2ccc(OC)cc2)c(=O)[nH]c1=O	12908430	PKTLRZMXSNVZLQ-UHFFFAOYSA-N	527.603	1.679	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1	13000147	PONLSSFFGYSGDZ-OAHLLOKOSA-N	500.533	1.436	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	20610891	STXHGNGMSKBWBW-IJUKNHKESA-N	512.950	1.196	0	40	KDAB	biogenic
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCCOCCOCC1	39988420	PSONIEVWAMXXKW-ISKFKSNPSA-N	530.684	1.613	0	40	KDAB	
CCOC(=O)[C@H](Cc1cc(I)c(OS(C)(=O)=O)c(I)c1)NC(C)=O	102648158	SXOCYBZKHQVRFI-LBPRGKRZSA-N	581.166	1.845	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	103048468	HNLIAJUOSCVIGA-UHFFFAOYSA-N	578.713	1.971	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	103128448	MROSVCVGROGNFI-UHFFFAOYSA-N	616.718	1.002	0	40	KDAB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O	242463689	DHQFYEJMFMYGCV-QNZHIQFVSA-N	591.786	1.711	0	40	KDAB	
C[C@H](O)[C@@H]1C[C@H]([C@](C)(O)[C@@H]2CC[C@]3(O)C4=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@@H]1C	257533924	RPCTUYZLPGGPJD-MVDSDYJOSA-N	520.663	1.891	0	40	KDAB	biogenic
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1ncc[nH]1)C2	514287520	IDGXLZRCXIFBQE-LVBBYBRXSA-N	546.628	1.652	0	40	KDAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)c1cnccn1)CC2=O)N1CCOCC1	514287593	OSGUUTJGKAOKGW-RIYGTCDZSA-N	519.602	1.781	0	40	KDAB	
CCOc1cc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OCCN1CCOCC1	585271337	FFDWEBKBRTUGPO-YPAWHYETSA-N	509.644	1.617	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565745	MJJIAWLKSAEPJO-SFTDATJTSA-N	503.644	1.015	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCOCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613514	VPRSLUNNZHHXTM-PWWKTKHKSA-N	517.648	1.557	0	40	KDAB	
NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1	12635508	XDLBJASEJMQFEE-UHFFFAOYSA-N	509.484	1.203	0	40	KDAB	
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941052	RWHLXXZCTIYHIM-LJQANCHMSA-N	502.641	1.563	0	40	KDAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877509	URJDQUSJWWUNTP-VCYIBEIOSA-N	596.709	1.452	0	40	KDAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C(=O)O)ccc2C)cc1	575426250	PPRJHTKJWRMUFF-FCHUYYIVSA-N	638.698	1.854	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574595	CONTVXIGDYUEIA-LNGZGTQPSA-N	642.757	1.648	0	40	KDAB	
S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12	4147809	YHBVLTMCBZPCGM-FNAHDJPLSA-N	515.640	1.806	0	40	KDAB	biogenic,in-vitro
C[C@H](OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OC[C@H]1CCCO1)C(=O)OC[C@@H]1CCCO1	4804968	IIMHTAVCLBQOLI-XLAORIBOSA-N	506.501	1.531	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6546632	ZRCGNAYQFLDGHR-OAQYLSRUSA-N	541.586	1.909	0	40	KDAB	
O=C(Cn1cc(F)c(=O)n(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1=O)Nc1cccc(C(=O)NC2CC2)c1	102808310	GSCAEOZYRNCBJY-UHFFFAOYSA-N	562.558	1.211	0	40	KDAB	
CC1(C)O[C@H]2[C@H](O1)[C@H](CO)O[C@H]2n1cnc2c(=O)[nH]c(NC(=O)COc3ccc(Br)cc3)nc21	103184718	PELIPSXWAUNANX-DNQNPRGNSA-N	536.339	1.309	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224383990	IAMZTBNSFQPFAL-UHFFFAOYSA-N	551.687	1.999	0	40	KDAB	
Cc1nc(/C=C/C(=O)N2CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c3ccc(F)cc3)CC2)cs1	643551688	CGLIQXAXIYVWSS-BAAABBEGSA-N	521.611	1.468	0	40	KDAB	
CN1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)CC1	643565564	IYAFSGFBHJPUAJ-RZFJZAQRSA-N	577.682	1.156	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N1	643569484	XTEXEPXAECXKKV-VXDZMXRFSA-N	637.782	1.303	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569984	XBMMAWDPKFFLNM-RSXGOPAZSA-N	563.699	1.650	0	40	KDAB	
CCCNC(=O)N1C[C@@H]2Oc3cc(-c4cccc(OC)c4)ccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1	1534613853	ZIGIIJMLPVWJKB-WPYKKVEZSA-N	518.636	1.498	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2cccs2)CCN1C(=O)c1cccn1C)C(N)=O	4221713	VJJNFHOCDMXVAS-JZXOWHBKSA-N	509.654	1.055	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(O)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6546932	VKMLRFTWNLFCEX-NRFANRHFSA-N	541.586	1.914	0	40	KDAB	
CC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21)=C1C(=O)N(C)C(=S)N(C)C1=O	9128866	PSYNZMOIPUHHQM-QGZVFWFLSA-N	524.603	1.150	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCc3ccccc3)ccc12	49733921	NFIKTSWJXJTUBZ-ZEQRLZLVSA-N	619.679	1.705	0	40	KDAB	
Cc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1	225752111	UEAACRBRSMBICH-UHFFFAOYSA-N	512.629	1.471	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226053619	KSNMUKYVSWMNEO-UHFFFAOYSA-N	551.687	1.538	0	40	KDAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\C3C(=O)NC(=O)NC3=O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409115049	JUNBZEFYOGJNHR-QUYTYNJFSA-N	561.620	1.199	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1	10288540	IWLNYYQAKZHIAA-UHFFFAOYSA-N	509.606	1.065	0	40	KDAB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C	12528776	NGOSHAJRNATUSV-LJQANCHMSA-N	500.639	1.167	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3[C@H]3OC(=O)c4c3ccc(OC)c4OC)CC2)cc1	102890826	QENDMHXEERBBSA-DFBJGRDBSA-N	559.597	1.406	0	40	KDAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)cc1	103060822	SXLUYNWJPQLFCP-UHFFFAOYSA-N	554.430	1.890	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H]5[C@H](O[C@]6(CC[C@@H](C)CN6)[C@@H]5C)[C@H](O)[C@H]43)C2)[C@@H](O)[C@H](O)[C@H]1O	253532297	RNUHPRWYDXEBOM-KDIYQGLISA-N	739.944	1.014	0	40	KDAB	biogenic,in-vitro
Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	260892207	WVZGTXKMCCMLJF-LJQANCHMSA-N	525.649	1.366	0	40	KDAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408705091	YBCOCOWSRQRGBA-INIZCTEOSA-N	525.605	1.272	0	40	KDAB	
CNCCCC[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)(C)C	644163948	GWKZRUKPMGSPQP-NKVOBILMSA-N	721.944	1.883	0	40	KDAB	
CCN1C[C@]2(COC)[C@H]3[C@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@@H]2OC(=O)c1ccccc1	1857787605	RIPYIJVYDYCPKW-KLNZBHKWSA-N	687.783	1.219	0	40	KDAB	
Cc1cn([C@@H]2CO[C@H](CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)[C@H]3OC(C)(C)O[C@H]32)c(=O)nc1O	2037977893	VPSCKCGIFLFUPU-GEUHCSIVSA-N	516.526	1.026	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCOCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	4018341	SUBKUVQNBDPTSZ-UIOOFZCWSA-N	668.835	1.058	0	40	KDAB	
COC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCC1	9358193	VGEUTDRVGKPAOX-ZDNVTZCJSA-N	530.659	1.378	0	40	KDAB	
CCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	13147831	VJHLZWWDLBLQDF-UHFFFAOYSA-N	506.654	1.566	0	40	KDAB	
C[C@H]1CCCN(c2nc3c(c(=O)nc(O)n3C)n2C[C@H](C)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(O)nc(=O)n3C)C1	256055422	GPETZIOVMVEKTN-BCDXTJNWSA-N	580.694	1.794	0	40	KDAB	
C[C@@]1(O)CC2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)OC[C@H]1n1cnc2c(N)nc(N)nc21	257330115	XMXMDNZZQABMHM-MZNJEOGPSA-N	505.583	1.573	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N2CCC(O)CC2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O	643565374	YENIQGYEQGPQRZ-YTFSRNRJSA-N	530.666	1.613	0	40	KDAB	
O=C1C[C@@H](C(=O)N2CCN(CCN3CCOCC3)CC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1	643577193	NGDOWJNPZOGTGV-QXUSSCGESA-N	806.965	1.487	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21	5665512	LHBZUQKAJBVIPP-HKUUKSEGSA-N	574.996	1.631	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	20031719	PVSJXFNLZHVLPM-UHFFFAOYSA-N	525.624	1.564	0	40	KDAB	
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	33000658	JMVYPBLCAKUCIX-UHFFFAOYSA-N	507.540	1.719	0	40	KDAB	
COc1ccccc1OCCNC[C@@H](COc1cccc2[nH]c3ccccc3c12)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O	97943141	PUVQFGCELBOSRN-NSRWDDRUSA-N	582.606	1.655	0	40	KDAB	
CCOC(=O)/C=c1/s/c(=C\c2c(F)cccc2F)c(=O)n1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	97982249	VSFFQHGVMSMMMK-ABLMNQNHSA-N	565.620	1.558	0	40	KDAB	
CN(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	224481211	VEOVRURKXSQZBV-UHFFFAOYSA-N	532.040	1.177	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N1	643564816	HYJXIQZUGAVSMY-OEEHMVQOSA-N	515.655	1.204	0	40	KDAB	
CNCCCC[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)(C)C	644163947	GWKZRUKPMGSPQP-AXJMTRDLSA-N	721.944	1.883	0	40	KDAB	
C[C@H]1O[C@H](CO[C@@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3C=C[C@@]35OC[C@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@]45C)[C@H]2CO)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000927	GPRYEOJEOMZURB-IKTSJRJISA-N	795.020	1.677	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1	4726365	KKSCPVVDEJRVIO-WBADGQHESA-N	505.480	1.230	0	40	KDAB	
O=S1(=O)CCCS(=O)(=O)CCS(=O)(=O)Cc2cc(Br)c(Br)cc2CS(=O)(=O)CC1	8411700	UIPVAULCHPFGDZ-UHFFFAOYSA-N	616.393	1.275	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)[nH]c1=O	23080018	QZBFZOLXFZEVMI-UHFFFAOYSA-N	521.640	1.777	0	40	KDAB	
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	38139454	RKEOQMATJWKWBN-CYBMUJFWSA-N	531.996	1.192	0	40	KDAB	
COc1ccc([C@H](c2c(O)n3c(nc2=O)SCC3)c2c(O)nc3n(c2=O)CCS3)c(OC)c1OC	100134006	CWGREWVYIBMXMM-LBPRGKRZSA-N	518.573	1.629	0	40	KDAB	
CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O	252338823	FEPMHVLSLDOMQC-HYPDOQQASA-N	823.904	1.204	0	40	KDAB	endogenous,in-man
CC1CCN(c2ncc(C(=O)N3CCC4(CC3)CNC(=O)COc3ccccc3C[C@H](O)[C@H](O)C4)cn2)CC1	643566901	ZAQHYRVLEGIUAM-BJKOFHAPSA-N	537.661	1.799	0	40	KDAB	
CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@H](CC)C(=O)O)ccc1-2)C(=O)O	6821254	SIKHNQGLVRNUCB-QZTJIDSGSA-N	510.546	1.181	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1	13097493	MPIJNXCSWVVJHH-WIYYLYMNSA-N	511.597	1.763	0	40	KDAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccc(Cl)cc21	38850522	AWWJBCMCRGSCJL-LJQANCHMSA-N	515.997	1.527	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876677	SYWHYMMZUMALRL-QIRTUCFOSA-N	582.682	1.062	0	40	KDAB	
COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	224182263	BUHOQTZPFKRJMH-UHFFFAOYSA-N	532.040	1.770	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	224457084	IBRORIICHUFXRL-UHFFFAOYSA-N	558.078	1.954	0	40	KDAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCOCC1	224471485	ZXTFMINMSKSKAB-UHFFFAOYSA-N	585.726	1.259	0	40	KDAB	
COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O	247847878	NLFUQHCGODFTIB-VJLBFWQBSA-N	911.140	1.743	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389464	MIPXDZVPQOJPHM-DTLNPLNSSA-N	954.161	1.488	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]2C1)O3	253409244	ZVCIQRMFBAPYKG-ZJDLJICXSA-N	566.677	1.112	0	40	KDAB	
CCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	257282779	OVGRVQYJSJZOAK-DCFHFQCYSA-N	549.632	1.120	0	40	KDAB	
C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C	2061000234	KRQDMAXNTWLTDZ-MXEDVELKSA-N	721.929	1.963	0	40	KDAB	
CC(C)NC(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	4201066	LJIMLTRFGCSHPS-VWPQPMDRSA-N	507.595	1.010	0	40	KDAB	biogenic,in-vitro
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	6631990	BBLHYOJGXPTSMN-PHYRLJMMSA-N	568.671	1.862	0	40	KDAB	
CC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)O	8876349	ARWAPRUODJTGAG-ZWKOTPCHSA-N	514.535	1.611	0	40	KDAB	biogenic
CCN(C(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38145504	FFGMHASTBXPUOE-UHFFFAOYSA-N	595.509	1.833	0	40	KDAB	
COC(=O)c1cc2c(cc1C(=O)OC)OCCOCCOCCOCCN(CCNC(=O)OC(C)(C)C)CCOCCOCCOCCO2	95101042	MJUPYQPLYGOHMO-UHFFFAOYSA-N	702.795	1.957	0	40	KDAB	
CN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982451	SYBOCEBKXGEGBH-UHFFFAOYSA-N	542.625	1.972	0	40	KDAB	
CC(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H]([C@@H](OC(C)=O)[C@H](C)OC(C)=O)CN2	101552262	ZJCHEBFBFOKHNK-IGUJJWBZSA-O	563.591	1.388	0	40	KDAB	
COC(=O)[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)[C@H](O)[C@H]1O	123279767	IVTQNSRENYRSBR-LYUFGSLDSA-N	524.651	1.573	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl	216329198	AMEZMISGNVFURM-UHFFFAOYSA-N	503.986	1.993	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@H]6C[C@@H]7O[C@@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O	252516642	VNONINPVFQTJOC-XNWKWBKASA-N	869.055	1.242	0	40	KDAB	biogenic,in-vitro
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3cccnc3)c3sc(=O)[nH]c3S[C@H]12)N1CCOCC1	253387567	XDIYADHIPATDPF-HQZFTIDCSA-N	512.613	1.164	0	40	KDAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\C3C(=O)NC(=O)NC3=O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409115045	JUNBZEFYOGJNHR-DUBROFONSA-N	561.620	1.199	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565540	IZCQFHJDSQGIDB-LSYYVWMOSA-N	579.698	1.315	0	40	KDAB	
O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	13141680	GPJHHLKVKMWWMP-UHFFFAOYSA-N	527.068	1.179	0	40	KDAB	
COCCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38151089	AXKQWQATKJGEJG-UHFFFAOYSA-N	537.598	1.932	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCN(C)C1=O	643566007	UAVGAIQROZIUCC-HFZDXXHNSA-N	552.628	1.297	0	40	KDAB	
O=C1CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)N1	643566213	APNOHSJYRKXKRR-UIOOFZCWSA-N	563.699	1.794	0	40	KDAB	
COc1ccc(-c2csc(NC(=O)CN3CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)CCC3)n2)cc1	643585187	SFTDWNJOSSSDRN-GNKBHMEESA-N	564.705	1.845	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000433	NWPTUAQJIALPLJ-IHHGTBQUSA-N	801.024	1.120	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000434	NWPTUAQJIALPLJ-NBDRWCBJSA-N	801.024	1.120	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)cc1OC	20112220	KAFUQFJBMPMKGE-RBUKOAKNSA-N	524.643	1.729	0	40	KDAB	biogenic
Nn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	23079782	RCFXUIVFTPTGEG-UHFFFAOYSA-N	522.584	1.462	0	40	KDAB	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2)C1	54363084	JKCSFEGZYVDADH-HDICACEKSA-N	516.638	1.614	0	40	KDAB	
O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	101641401	QHJOJRARHSOROG-IYBDPMFKSA-N	527.983	1.018	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1=O	103110223	KXPYRWXWCDTGJC-UHFFFAOYSA-N	541.944	1.856	0	40	KDAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222776367	PDBQLIXFMZTGSG-KRWDZBQOSA-N	510.012	1.903	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC	575425100	XNPHJRLBUSRIES-GOSISDBHSA-N	546.689	1.477	0	40	KDAB	
O=C1CC[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)N1	643567005	PAAIGUORNMEOEI-GOTSBHOMSA-N	506.603	1.718	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC(=O)N[C@@H](CC(C)C)C1=O	643582811	YFOAEYJWEKOTTF-WKDRNLAYSA-N	516.639	1.583	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1	20030860	PMWMFTDOAHVXER-UHFFFAOYSA-N	509.650	1.570	0	40	KDAB	
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCCOCCOCC1	39988421	PSONIEVWAMXXKW-LADGPHEKSA-N	530.684	1.613	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1	100277756	TZKMHXKIKPDREE-RDPSFJRHSA-N	557.677	1.890	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692708	QKPHMWUSYGCZRT-OBBCHVIHSA-N	574.535	1.985	0	40	KDAB	
Nc1ncnc2c1ncn2[C@@H]1C[C@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@@H]2O1	263613795	ZRKMLPQXPCPPBB-ONTSKIAFSA-N	522.153	1.368	0	40	KDAB	
CCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	504636601	YBXSCTVUXLDXFV-HFBCXCLPSA-N	578.644	1.934	0	40	KDAB	biogenic
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7C[C@](C)(C(=O)O)CC(=O)[C@]7(C)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	1534688761	LEEDBDNBNJDNMW-UZTOVKQOSA-N	955.101	1.005	0	40	KDAB	biogenic,in-vitro
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C)c(Br)c4C)[C@@H]3SC2)s1	2809485	FAJXDHVELXZOSA-CJNGLKHVSA-N	559.493	1.953	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1	4577549	AMVPQXWWHXMIJM-FFYRRMKRSA-N	659.784	1.885	0	40	KDAB	
CCc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21	15968054	IPOBZGPDCBNMIG-WTLLVQHOSA-N	506.559	1.105	0	40	KDAB	biogenic
CCn1c(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc2cc3c(cc2c1=O)OCCO3	28555705	XOYHETWPAPSIRK-UHFFFAOYSA-N	516.576	1.716	0	40	KDAB	
Nn1cnn2c(SCC(=O)Cc3ccc(-c4nc5cc(NC(=O)CSc6nnc7n(N)cnn67)ccc5o4)cc3)nnc12	33355084	DVYLISKRIDMIEH-UHFFFAOYSA-N	616.653	1.036	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O	76945602	QNPQJKICJQEMBY-VBQPIBNNSA-N	671.877	1.077	0	40	KDAB	in-vitro
Cn1nnnc1SCC(=O)Nc1ccc(C(C)(C)c2ccc(NC(=O)CSc3nnnn3C)c(O)c2)cc1O	97994891	WMNQBUGGPYCKBR-UHFFFAOYSA-N	570.661	1.932	0	40	KDAB	
O=C(COCCOC(=O)c1ccc([N+](=O)[O-])cc1)OCCOC(=O)COCCOC(=O)c1ccc([N+](=O)[O-])cc1	201757328	MITDYZOGJIHCAS-UHFFFAOYSA-N	564.456	1.636	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389471	MLRZPRGBFKQPOT-QPHVZDQYSA-N	940.134	1.099	0	40	KDAB	biogenic,in-vitro
C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)CC1CCN(c3cccnn3)CC1)CC2	643564176	SCNCQYBCCJOTQL-NRFANRHFSA-N	514.671	1.903	0	40	KDAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)CC1	14086230	RHWMECQVFSUSQJ-VWLOTQADSA-N	525.587	1.745	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224460794	USPKMDQYHSIZNU-UHFFFAOYSA-N	581.713	1.946	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N1	643567953	BRBXGUOEBTYJNH-RZFJZAQRSA-N	592.624	1.106	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N(C)CC(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1	643571558	FYPINTXCKDYYOD-GOTSBHOMSA-N	540.665	1.266	0	40	KDAB	
Cn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nnc1-c1ccncc1	17527691	LUEQBUUXDXTTPU-UHFFFAOYSA-N	559.674	1.465	0	40	KDAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	20611581	CYEDUMLTSBWXIT-NRGSMNHXSA-N	510.934	1.764	0	40	KDAB	biogenic
CCCCn1c(N)c(N(CCOC)C(=O)CCNC(=O)c2ccc(Br)cc2)c(=O)[nH]c1=O	24764837	RKFDTCGNUOGENN-UHFFFAOYSA-N	510.389	1.481	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	25387669	WLFHNJSRONCTCK-UHFFFAOYSA-N	516.645	1.152	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O	96021396	JLJHFFHGZDRNFO-VWLOTQADSA-N	563.032	1.801	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@H]5[C@@H]4C[C@H](O)[C@]3(O)C2)[C@@H](O)[C@@H](O)[C@@H]1O	118924815	DVTBKGKMSDFCAF-TYSQPJRNSA-N	536.662	1.427	0	40	KDAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(OC)c3OCC(N)=O)c(=O)n21	408973592	ZHJVCYGWDBXDSE-WNRWPCNTSA-N	611.673	1.705	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N[C@@H](C)C(=O)N1	643566550	ZWTGJAXEDXTGRV-LNBJVWSJSA-N	593.725	1.752	0	40	KDAB	
CN1CCCN(C(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643568154	MASIDFAJOSWJBB-VWNXMTODSA-N	549.672	1.354	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	20310124	TVVOEFYEIDZAMQ-UHFFFAOYSA-N	508.622	1.983	0	40	KDAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1OC	38145099	XRIBCEYIFUHXBO-HSZRJFAPSA-N	546.646	1.679	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	138974863	CHHXRIFXRWKLHO-RZYZHNGTSA-N	522.535	1.990	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	253388527	KBGNYIWYDYVUFP-WQVXZDQFSA-N	793.948	1.607	0	40	KDAB	
COc1ccc2[nH]c(=O)c([C@@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)cc2c1	524731968	RAKXTCBHNSYJLT-PLMTUMEDSA-N	558.591	1.984	0	40	KDAB	biogenic
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl	575422663	NXGBNBSYOBIAOC-ZJUUUORDSA-N	514.634	1.379	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643566565	SLUXQNMHENCEIC-UGKGYDQZSA-N	554.644	1.687	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O	2048392515	DEUGGGVTLCYZPU-UARRHKHWSA-N	510.635	1.650	0	40	KDAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)[C@@H]3SC2)s1	1567520	VTLCNEGVSVJLDN-WBMJQRKESA-N	548.455	1.846	0	40	KDAB	biogenic,in-vitro
O=S(=O)(Nc1ccc(C2=NCCN2)cc1)c1cccc(S(=O)(=O)Nc2ccc(C3=NCCN3)cc2)c1	1668430	CXMYWTBLKRBTJB-UHFFFAOYSA-N	524.628	1.988	0	40	KDAB	
CCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O	13573885	JKLCPGZBPNOZDV-UHFFFAOYSA-N	510.591	1.846	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	408618450	JMDQWWBXWCLGIL-UHFFFAOYSA-N	537.635	1.755	0	40	KDAB	
COC(=O)C[C@@H](c1ccc(OCc2nccn2C)cc1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O	524730667	SBFHGLOFVRNGAB-NRFANRHFSA-N	510.547	1.627	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)cc2OC)c(OC)c1	575426214	OREOBCSXHXCJIE-QHCPKHFHSA-N	592.714	1.267	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643569274	RHJSXEYOXOMQGV-REWPJTCUSA-N	503.644	1.015	0	40	KDAB	
COc1ccc(CCNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC	12620868	WOIFUECXYJPDHN-UHFFFAOYSA-N	506.577	1.549	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	20031660	BEEWBKPFYKMXFD-UHFFFAOYSA-N	507.634	1.425	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](CC(N)=O)C(=O)O	70699233	SECULALSVDWOQS-CGCKEFBRSA-N	531.569	1.223	0	40	KDAB	biogenic
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1	97947765	GLVOUPLWGFLDGE-UHFFFAOYSA-N	548.670	1.345	0	40	KDAB	
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1	225509924	OIRPZXLPSFTLLO-GOSISDBHSA-N	523.633	1.756	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	245224280	ULGZDMOVFRHVEP-HBWFXLHHSA-N	733.937	1.786	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643566472	YMWBBQBBVAQOGE-WXVAWEFUSA-N	568.671	1.933	0	40	KDAB	
COCC(=O)N1CCN(C(=O)c2cccc(F)c2)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)OC	4277783	AEPWDSGVSIOFCQ-VXKWHMMOSA-N	515.538	1.034	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccnc1	8448705	MZGIALHUGWOBJV-OKPNHQCWSA-N	546.630	1.599	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC	8830369	YCHNNJUCKPRZLN-FQEVSTJZSA-N	556.435	1.288	0	40	KDAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	20030713	CLYTUHNYNJPJBG-UHFFFAOYSA-N	502.014	1.298	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(F)ccc1OC	20031272	GUCDYEBKHGOPHT-UHFFFAOYSA-N	513.613	1.946	0	40	KDAB	
Cn1c([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100377895	XKUFXZVUJRSLRP-BVFVYWQFSA-N	595.678	1.762	0	40	KDAB	
COC(=O)[C@H]1O[C@H](Oc2cc(I)cc(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	106051272	HHCLYQKBEARFJZ-YRIDSSQKSA-N	594.307	1.288	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	224240817	HBJODXBHRWMAIH-MRXNPFEDSA-N	501.652	1.594	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1Cl	224497050	SVSQQBQYGPPOAY-UHFFFAOYSA-N	546.067	1.318	0	40	KDAB	
COC(=O)CSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1	224890177	ADWCHPDVAOAOGX-UHFFFAOYSA-N	516.623	1.404	0	40	KDAB	
CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]31C)OC(=O)[C@@H]2CN1CCN(C(=O)c2ccccc2)CC1	253393395	POYYGIAOXNFMAN-YAXSKAOUSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
O=C([C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1	25326728	UDBQGWDPEAJOHN-GOSISDBHSA-N	515.617	1.918	0	40	KDAB	
O=C(COC(=O)Cn1cc(I)c(=O)c(I)c1)NCCc1ccccc1	102173413	VVVQQPORGREHFJ-UHFFFAOYSA-N	566.133	1.960	0	40	KDAB	
COC(=O)[C@H]1C[C@@H](OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	2049246198	NYCOKGSVTGEONF-HATZJIOVSA-N	578.523	1.450	0	40	KDAB	
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	32636254	QPJHHKOKUOQHAX-UHFFFAOYSA-N	522.645	1.852	0	40	KDAB	
C[C@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C1=O	97982567	SCNGOWAWVIXLIM-RUZDIDTESA-N	535.538	1.284	0	40	KDAB	
CC1(C)O[C@H]2[C@H](CO)O[C@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(Br)cc5)nc43)[C@@H]2O1	98048060	PELIPSXWAUNANX-XJTZBENFSA-N	536.339	1.309	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224469627	RMNLXNHCHPPVCV-JOCHJYFZSA-N	543.639	1.586	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@@H](OC(=O)[C@](C)(O)[C@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	253388526	KBGNYIWYDYVUFP-PBBQKUCMSA-N	793.948	1.607	0	40	KDAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCCN2CCOCC2)cc1	260722502	PHRMVHMSOSUCIC-JOCHJYFZSA-N	546.690	1.323	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	1547139912	MQTOSJVFKKJCRP-CMIDCVMCSA-N	748.996	1.901	0	40	KDAB	
CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)sc(C(=O)N(C)C)c1C	32957555	BFFCUNNAOUKVHQ-UHFFFAOYSA-N	525.605	1.785	0	40	KDAB	
CCCCC[C@H](O)[C@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C\C=C/C=C\C=C/C=C(\C)[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1O	57680541	IMQSIXYSKPIGPD-ACUCHDFMSA-N	654.838	1.888	0	40	KDAB	in-vitro
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851768	DIOIZNBPKGQZLZ-UHFFFAOYSA-N	559.666	1.881	0	40	KDAB	
Cc1c(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)NCC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4	70707592	PBFLCHWLCNYZLD-LJQANCHMSA-N	540.573	1.793	0	40	KDAB	biogenic
Nc1ccn([C@@H]2O[C@H]([C@H](O)c3ccccc3C(=O)O)[C@](O)(c3ccccc3C(=O)O)C2(F)F)c(=O)n1	71605789	FLEGKVSBDHUCTC-ZFNVSSEQSA-N	503.414	1.376	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccc6c(c5)OCO6)CCN4C3=O)O2)cn1	253405003	RPLNQLDPYBMMJL-DPQXJIGJSA-N	603.676	1.950	0	40	KDAB	
CC[C@H](C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	299817281	QMXIJZDGCJEANV-BNXDKUQXSA-N	673.720	1.041	0	40	KDAB	in-vitro
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCNC1=O	643564698	AZLHLTSQIFLCOK-FCHUYYIVSA-N	515.655	1.207	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643566518	ZDHZGCDKRDQZGF-IZZNHLLZSA-N	591.709	1.996	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N3CCC[C@H]3COc3ccccc3C(=O)N(C)CC(=O)NCCCOc3ccccc3C(=O)N2)CC1	643570217	RSCHISMEPZPTHO-FIBWVYCGSA-N	706.841	1.397	0	40	KDAB	
C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O	12887400	SHIPLYKYXGTSKL-HOJAQTOUSA-N	503.596	1.897	0	40	KDAB	biogenic
O=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	13017059	XNHRQLKGAMSCQN-UHFFFAOYSA-N	515.997	1.585	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)cc2)C[C@@H](C)O1	13305704	NUODVIXVCLSMSJ-BETUJISGSA-N	510.619	1.994	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(CCCN2CCOCC2)CCS3(=O)=O)CC1	101524662	ZZPDOODHLWIILJ-UHFFFAOYSA-N	548.584	1.334	0	40	KDAB	
CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H]3OC(=O)[C@@](C)(O)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@]3(C)O	257626169	XQDBHSNYTFRCNJ-GEEWVJLZSA-N	883.853	1.271	0	40	KDAB	biogenic
COc1c2c(c(CNC(=O)CC[C@H]3NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c3c1OCO3)CCN(C)C2	526052573	NTLAICDIAJYSNE-LJQANCHMSA-N	538.557	1.658	0	40	KDAB	
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1	2060990628	LBPZKMZBSNQRII-HTBIXEDKSA-N	578.699	1.998	0	40	KDAB	
COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)cc(=O)oc2c1	4556995	IIEDBZTWPBXMRN-OALUTQOASA-N	501.536	1.067	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1	32958317	AQOMVWWDVPYCQJ-UHFFFAOYSA-N	529.663	1.863	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	103583463	PAZSQCSFSMTWFD-YLVTVWEBSA-N	532.578	1.717	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O	150355079	HMZMYOYMDHRAIZ-GYKAHYMZSA-N	796.919	1.144	0	40	KDAB	
Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224451015	WVZGTXKMCCMLJF-IBGZPJMESA-N	525.649	1.366	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2	253399717	JVGBZLZULBCETB-DSZDGCDSSA-N	564.639	1.693	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257659672	YFGQJKBUXPKSAW-FFMRJHERSA-N	969.128	1.642	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	575426335	RETZWXQMHJEBFA-UIOOFZCWSA-N	696.782	1.775	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643565897	RNGASYFFMAMARK-LEWJYISDSA-N	503.644	1.015	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643568570	HZCHIQSATGBHGP-GOTSBHOMSA-N	522.602	1.375	0	40	KDAB	
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc3nccs3)cc1)O[C@@H]1OC(C)(C)O[C@H]21	4510409	GECFLNOUXIAXFR-ZMIKWESLSA-N	568.630	1.395	0	40	KDAB	biogenic
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	6821399	BBLHYOJGXPTSMN-GGHZGINBSA-N	568.671	1.862	0	40	KDAB	
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O	100106527	PESDLRHNBKPWSL-MUGJNUQGSA-N	543.706	1.660	0	40	KDAB	
COc1ccc([C@@H](c2c(O)nc(=S)n(C)c2O)c2c(O)nc(S)n(C)c2=O)cc1CN1CCOCC1	102505026	SYJATXIRJRLPPP-OAHLLOKOSA-N	533.632	1.670	0	40	KDAB	
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	253610389	SPVIRJDNIGLRRD-RSEDLFMWSA-N	828.990	1.164	0	40	KDAB	biogenic,in-vitro
Cc1cc(C)c(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C)c(C)cc2C)cc1C	575421194	HIEUBBLMDRKDBH-FCHUYYIVSA-N	558.744	1.664	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565612	KYPYDQAZPLIELV-JBACZVJFSA-N	502.612	1.194	0	40	KDAB	
CC(C)[C@H]1NC(=O)CN(Cc2ccccc2)C(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573568	RDSFFNYHMIQTNK-CTIGNXTNSA-N	538.601	1.326	0	40	KDAB	
CC(C)NC(=O)N1CCC2(CCOc3cc(C(C)C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889065	FVYZCGGKSICIDU-UXHICEINSA-N	522.668	1.785	0	40	KDAB	
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)c1cccs1	4147976	UCGUUVJWXAKPBE-NHCUHLMSSA-N	542.639	1.559	0	40	KDAB	biogenic,in-vitro
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)cc(Cl)c1	19961923	WGRVQZOVTUXPDY-SFHVURJKSA-N	522.389	1.700	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)C[C@H](C)O1	32996119	VAWIDSMYNAVNQY-ROUUACIJSA-N	523.633	1.758	0	40	KDAB	
C[C@H](C(=O)[C@H](N)[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](N)C(=O)[C@H](Cc1c[nH]c2ccccc12)[C@@H](N)C(=O)[C@@H](N)Cc1cnc[nH]1	575319552	UHERAKUKXITLHD-HRKWGVQBSA-N	929.140	1.140	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1ccccc1)CC2	1548889608	IFMYOJXIEDCKBI-RPWUZVMVSA-N	599.710	1.613	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CC(N)=O)C(=O)O)C3=O	1775964094	RNPMSPOQHSSJPQ-DDMCWNPQSA-N	516.591	1.554	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	5460412	LUFBUJPRIKZREA-YADHBBJMSA-N	524.530	1.947	0	40	KDAB	
CCOC(=O)CC[C@H](NC(=O)c1ccccc1C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	6546150	FQLVTZLYFJWGPI-PMACEKPBSA-N	536.578	1.696	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	20610892	STXHGNGMSKBWBW-DTHKZBPFSA-N	512.950	1.196	0	40	KDAB	biogenic
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	59838887	XBMFUIADHDNHDZ-UHFFFAOYSA-N	555.650	1.572	0	40	KDAB	
CCOc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	66157279	BWQJJHWUNBNPJU-UHFFFAOYSA-N	533.603	1.738	0	40	KDAB	
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1OC	97986784	OPHGPCMTGCNPQF-UHFFFAOYSA-N	610.689	1.977	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=O)Nc2ccccc2I)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	105414332	TWTMNPAFAURLLC-CENDIDJXSA-N	592.339	1.496	0	40	KDAB	
O=C(NCCNC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCOCCO2	150569219	HOARIDRPXNPUBA-UHFFFAOYSA-N	648.706	1.488	0	40	KDAB	
COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700628	UJSHPROXOIIJEC-HXUWFJFHSA-N	519.620	1.266	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCNC1=O	643564931	NZSUHIOXSJDDKE-IZZBFERCSA-N	502.612	1.241	0	40	KDAB	
CC(C)NC(=O)N1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891083	WBFZLNLBWWVYCU-YADHBBJMSA-N	557.673	1.724	0	40	KDAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(I)cc1	638995	JBKSGKAPEKXXJH-UHFFFAOYSA-N	579.438	1.717	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6547194	FASXFYNYHLUBSH-SFHVURJKSA-N	517.589	1.962	0	40	KDAB	
COC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccnc1	8448566	SEOQBBUYBNOTQV-QRRJMBGHSA-N	532.603	1.208	0	40	KDAB	
CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1	20081870	AYGBCXMHWYOOGQ-QHCPKHFHSA-N	511.627	1.817	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34651255	XYWZWQBEWGQXQR-PRKOWYPUSA-N	515.515	1.582	0	40	KDAB	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OCC)C3)cc2)C1	54363085	JKCSFEGZYVDADH-ROUUACIJSA-N	516.638	1.614	0	40	KDAB	
COC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@H](C)C(=O)OC)CCOCC1	101102720	VGEUTDRVGKPAOX-CZYKHXBRSA-N	530.659	1.378	0	40	KDAB	
Cc1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2	257250371	JMGUGUVVQULYHQ-SKCUWOTOSA-N	563.659	1.646	0	40	KDAB	
COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409271821	NOTSJCDXFGMCIL-VWLOTQADSA-N	586.692	1.765	0	40	KDAB	
O=C1NC[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(-c2ccc(N3C(=O)NC[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1	575421602	JEWKXYCENAKGCH-UBBRYJJRSA-N	530.628	1.239	0	40	KDAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1	8918031	FFYMBAHMSYIJOC-AVRDEDQJSA-N	506.669	1.651	0	40	KDAB	biogenic
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1	12975653	YSQHZEBDGAQEKU-UHFFFAOYSA-N	527.690	1.461	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1C	20031941	IIZWFVWUAJEAGZ-IBGZPJMESA-N	509.650	1.971	0	40	KDAB	
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCN(C)CC2)cc1OC	95569515	XHZFIOQKHBIGSZ-JWGURIENSA-N	555.657	1.858	0	40	KDAB	
COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224332005	DBOZHVKNVNVYQI-SFHVURJKSA-N	555.675	1.838	0	40	KDAB	
O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)Nc1ccccc1	245230656	WBHJSLDBCXZLLZ-NHCUHLMSSA-N	537.660	1.952	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750553	DVUHIYFVLVFKRW-RPSCHGCQSA-N	801.024	1.120	0	40	KDAB	
C/C(=C\CC/C=C(\C)CC[C@@H]1O[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]1(C)O)CC[C@@H]1O[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]1(C)O	1772591516	CLDUAPYOOGANAK-USHOVIIVSA-N	835.038	1.007	0	40	KDAB	
CC(C)[C@H](NC(=O)c1cc(Cl)ccc1OC[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O	2037879593	GGBHDJBVBOZDFI-VPPRVIDZSA-N	505.999	1.993	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@@H]3SC2)s1	2783520	XRFBNNUAPBPTOX-HZMBPMFUSA-N	520.540	1.743	0	40	KDAB	
COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC	13133658	KTTYXLKTJPYJEF-YOEHRIQHSA-N	519.576	1.461	0	40	KDAB	
CCn1c(COc2ccc(C)cc2)nnc1S[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	103507111	BAGALEQQJQOATL-NHYJECHLSA-N	578.644	1.934	0	40	KDAB	
O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	195529858	CXIBFANOJADLNG-QWFCFKBJSA-N	505.593	1.238	0	40	KDAB	
O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223005069	MAVAZKPUIOQHAE-MUUNZHRXSA-N	581.691	1.835	0	40	KDAB	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl	575422661	NXGBNBSYOBIAOC-UWVGGRQHSA-N	514.634	1.379	0	40	KDAB	
COc1ccc(CN2CCC3(CCOc4cc(-c5ncnn5C)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1	1548888869	BDYOOLOYFBYNQJ-VWNXMTODSA-N	596.710	1.548	0	40	KDAB	
CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O	8234395	FEPMHVLSLDOMQC-PDVKMKNESA-N	823.904	1.204	0	40	KDAB	in-man
COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	12467555	YZOFSRPKQMRCRF-IBGZPJMESA-N	515.548	1.648	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OCC)[C@@H]1c1cccc(OC)c1	100689871	ZMXAXDSKCVWNMS-JCZXDDDQSA-N	536.606	1.957	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1OC	224289677	IKFWJOPPGIVAFP-UHFFFAOYSA-N	541.648	1.450	0	40	KDAB	
CCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)CCCC(=O)C[C@H](O)[C@@H](CC)C(=O)O1	263603197	NFPGARBTLUEZRE-SGNUXXCUSA-N	767.910	1.545	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)o1	409398362	DGZNPNHZEGVLDU-YVLHZVERSA-N	529.502	1.414	0	40	KDAB	
Cc1ccc(Cl)cc1S(=O)(=O)NCCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1cc(Cl)ccc1C	575426695	YIBVGCCVWPKSMK-MSOLQXFVSA-N	571.526	1.737	0	40	KDAB	
Cc1cc(=O)oc2cc(N[C@H](O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)CNC(=O)[C@H](CC(C)C)N[C@H](C)O)ccc12	1569989274	ZYQYVNMMFPWTJT-KOMKCCMPSA-N	615.650	1.624	0	40	KDAB	
CC[C@@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O	5351617	GNBHVMBELHWUIF-ZJONGFCPSA-N	593.766	1.316	0	40	KDAB	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc1	13565713	RBGAVAZZJAQSHO-QHCPKHFHSA-N	504.584	1.801	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc1	13565714	RBGAVAZZJAQSHO-HSZRJFAPSA-N	504.584	1.801	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)[C@H]1COc2ccccc2O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24764372	MICSVUITOOWOOU-HXUWFJFHSA-N	508.531	1.539	0	40	KDAB	
Cc1nnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1	56992073	FBAJGJANWHMTCC-UHFFFAOYSA-N	512.665	1.708	0	40	KDAB	
CC/C(C)=C1/OC(=O)[C@@H](C)[C@@H](O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@H](C)OC1=O	104186584	WHIKSLGSXKIHCA-PHSJFEPZSA-N	540.573	1.178	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ncc[nH]4)C[C@H]3C(=O)NC[C@H]1O2	253403955	QSPHZHMZROWUEP-AYEXWZOKSA-N	553.664	1.259	0	40	KDAB	
CO[C@H]1O[C@@H](OC(C)(C)[C@H]2O[C@]34C[C@@]5(C)[C@@H]6[C@@H](O)C[C@H]7C(C)(C)[C@@H](O[C@H]8OC[C@@H](O)[C@@H](O)[C@H]8O)CC[C@@]78C[C@@]68CC[C@]5(C)[C@H]3[C@H](C)C[C@H]2O4)[C@@H](O)[C@@H](O)[C@H]1O	257199110	SPEHTZJJRZONBU-ARTNPONYSA-N	782.965	1.557	0	40	KDAB	
Cn1ccnc1CN1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccncc4)ccc3C(=O)N2)CC[C@@H]1O	514287550	KMWCHYHPLLTMLT-ZUGAHZRVSA-N	560.655	1.662	0	40	KDAB	
O=C1NC[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(-c2ccc(N3C(=O)NC[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1	575421600	JEWKXYCENAKGCH-MTIDIVMFSA-N	530.628	1.239	0	40	KDAB	
Cn1c(=O)c2ncn(CC(=O)N3CCC4(CCCCc5ccccc5OC[C@@H]5CCCN5C4=O)CC3)c2n(C)c1=O	643557782	YZYCPXYTLBVWKH-QFIPXVFZSA-N	562.671	1.839	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N[C@H](CC(C)C)C1=O	643582767	WQWZYEZDYVSHRT-RPWUZVMVSA-N	564.687	1.691	0	40	KDAB	
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@@H](O[C@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2060989913	SLAWMGMTBGDBFT-KNDKERQSSA-N	801.024	1.120	0	40	KDAB	
CC(=O)O[C@H]1CO[C@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]4C2(C)C)[C@@H](OC(C)=O)[C@@H]1O	2061000218	HVPKALQHGQMJER-IPKHHKRRSA-N	869.055	1.866	0	40	KDAB	
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O	6821410	POXCHDLYCJFKBU-ORYYHXKBSA-N	577.679	1.039	0	40	KDAB	
CC(=O)NC1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2cccc3c(S(=O)(=O)C[C@]4(C)SC(NC(C)=O)=NN4C(C)=O)cccc23)S1	8398713	CQKXRYHAFSVKMJ-UIOOFZCWSA-N	682.828	1.824	0	40	KDAB	
O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1	12855120	TWVREKSGKQQWTO-JOCHJYFZSA-N	521.599	1.712	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3	15954336	TXIKBQYWWSLPJI-WRHNGFHOSA-N	525.602	1.355	0	40	KDAB	biogenic
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCC(=O)N1CCOCC1	32990925	VFKUQCQKRUTRKO-UHFFFAOYSA-N	517.604	1.388	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(=O)[nH]c1=O	38140484	LDUPRMOZNQBMPL-UHFFFAOYSA-N	542.058	1.896	0	40	KDAB	
COc1ccc(CCc2nnc(S[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)n2C)cc1OC	70712314	XYKXKKAJJSYDFW-OSQINFKHSA-N	608.670	1.366	0	40	KDAB	biogenic
COCCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982433	QFSYLYMZALFVCW-UHFFFAOYSA-N	599.666	1.178	0	40	KDAB	
CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	102253804	BCCHXQUGHDOKMG-HSZRJFAPSA-N	537.617	1.287	0	40	KDAB	
Cc1cccc(N2C[C@H](C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2=O)c1C	103038458	QMHISAKBCYEMLG-HXUWFJFHSA-N	540.665	1.892	0	40	KDAB	
CC(Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	157200624	BPGRDSUGDZUTSG-UHFFFAOYSA-N	706.812	1.150	0	40	KDAB	
CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O	252338821	FEPMHVLSLDOMQC-FAJOGARGSA-N	823.904	1.204	0	40	KDAB	endogenous,in-man
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@@H](O[C@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2060989911	SLAWMGMTBGDBFT-HYRPSVCFSA-N	801.024	1.120	0	40	KDAB	
CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)[nH]c2c1	3426594	XBWDEKMSOUVUJH-UHFFFAOYSA-N	504.594	1.570	0	40	KDAB	
Cc1ccc(OC[C@@H](O)Cn2c(N[C@@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1	9292798	QLFOJUMFXKRGIQ-ICSRJNTNSA-N	507.547	1.290	0	40	KDAB	
COc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1	9600210	PIUCLCDJPFTOLG-GOSISDBHSA-N	512.382	1.237	0	40	KDAB	
COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	13565689	BLALJHUTOJBJIR-HSZRJFAPSA-N	516.620	1.670	0	40	KDAB	
O=C(OC[C@@H]1O[C@@](O)(COC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1	17654101	FUWFSXZKBMCSKF-INVAMZEASA-N	600.540	1.819	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC	252515141	HOFGZJTZROMXRO-LZICAHMLSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCC(N)=O)C2=O)o1	409400926	VPKWUWXTQHFELT-AWNIVKPZSA-N	508.281	1.794	0	40	KDAB	
COc1ccc(S(=O)(=O)CC(=O)N2CCC3(CCCCn4cc(nn4)COCCNC3=O)CC2)cc1	643563927	KDHVLUBIQZJIID-UHFFFAOYSA-N	519.624	1.186	0	40	KDAB	
COC1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCC(=O)N2)CC1	643584876	LUVHOEGWBOGARE-VXKWHMMOSA-N	537.702	1.280	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)cc1	100471647	KLMWDZMFAWVVGW-UHFFFAOYSA-N	575.648	1.933	0	40	KDAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222854989	PZQPAGCRKQXPOJ-HXUWFJFHSA-N	551.637	1.795	0	40	KDAB	
Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)ccc2n1C	257344779	ZYQJJUKXDQVKBJ-HOYKHHGWSA-N	505.583	1.573	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2)cc1NC(C)=O	575426332	RETZWXQMHJEBFA-CLJLJLNGSA-N	696.782	1.775	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569457	WOVRURCLHAUVDV-GQOCTPOGSA-N	561.035	1.130	0	40	KDAB	
CCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(N)n(Cc2ccccc2)c1=O	3349826	FJCPSYQRNWEJBC-UHFFFAOYSA-N	546.049	1.503	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C(=C/c3ccccc3)n3nnnc3C)CC2)c(C)c1	14358725	LRHYSFLAEBFCRX-JWGURIENSA-N	524.603	1.673	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]2[C@H](OC(C)=O)[C@]2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14	103343800	DTTPWCNKTMQMTE-AWMFEBIASA-N	507.624	1.350	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1OC	222571679	WFIPLDHCOHYOGO-GOSISDBHSA-N	525.649	1.508	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(CN2CCOCC2)cc1	224587658	RXNFCISJVBRHKC-UHFFFAOYSA-N	517.648	1.797	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCOCC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253396202	DHXMBWNFACUDEG-RKDXIHMYSA-N	623.755	1.103	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2nccs2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253399526	JQODWOAEGKAZEL-VNWDASSNSA-N	563.673	1.985	0	40	KDAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)c1	408656765	OHXDOADOXQRFPW-AWEZNQCLSA-N	501.492	1.396	0	40	KDAB	
O=S1(=O)CC[C@H](N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575421595	JDGUUYMFXMGLCA-TXEJJXNPSA-N	551.300	1.577	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC1=O	643567391	FIWQIDRLHYTLFI-BJKOFHAPSA-N	543.709	1.987	0	40	KDAB	
CCN1C[C@@]2(COC)CC[C@@H](OC)[C@]34[C@H]2[C@@H](OC)[C@H]([C@@H]13)[C@]1(OC(C)=O)[C@H](O)[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1	2060993614	PHASMOUKYDUAOZ-BEAOVHKNSA-N	629.747	1.677	0	40	KDAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	4016604	ARFLLJAVJWZYBL-VSKRKVRLSA-N	540.617	1.383	0	40	KDAB	
Cn1cccc1C(=O)N[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2C[C@@H](NC(=O)c3cccs3)C[C@H]2C(=O)O)C1	4221504	KBQYLYAXTCCSAU-XVLZDAOXSA-N	613.693	1.161	0	40	KDAB	biogenic,in-vitro
COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)c1	4222858	KNWRJQZGLQSWIU-RGMHLJPOSA-N	506.533	1.968	0	40	KDAB	biogenic,in-vitro
COc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1OC	16752400	ATHVOVLUFADGSV-CYBMUJFWSA-N	503.986	1.380	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102327842	NOKCKQRHADLYOG-BMPCIWRBSA-N	565.572	1.398	0	40	KDAB	
Cc1ccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4ccc(C)cc4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)cc1	103770501	FAACTSCNMLEVFX-UHFFFAOYSA-N	525.521	1.968	0	40	KDAB	
CCOC(=O)/C=c1/s/c(=C\c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@H](C)O[C@@H](C)C1	105525795	YGKNMQCWVJOQAC-NTINGILPSA-N	504.605	1.125	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1I	224455162	FGHLVKVIXNBNLL-UHFFFAOYSA-N	582.438	1.678	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	248173531	ULGZDMOVFRHVEP-CWZURWDJSA-N	733.937	1.786	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccncc4)NC3=O)O2)cn1	514287523	IGOCDXJISLGKEE-WKRKAGLOSA-N	560.655	1.662	0	40	KDAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@@](O)(COc2cccc(F)c2)C1	585284765	ZSAXGIPPSUKTJK-SANMLTNESA-N	513.570	1.597	0	40	KDAB	
CCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](OC[C@@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)[C@H]2O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1O	604377653	YUIAZLFHCZYXSQ-WFMAPDBYSA-N	854.981	1.139	0	40	KDAB	biogenic,in-vitro
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643565275	FQWDCGCHDANPCY-JYFHCDHNSA-N	554.644	1.761	0	40	KDAB	
CCOc1cc(C(=S)N2CCOCC2)cc(I)c1OCC(=O)N1CCOCC1	1105959	ZVZXKBDMZSZHHL-UHFFFAOYSA-N	520.389	1.935	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N	6904977	YIYPLMISIXWRQG-HXUWFJFHSA-N	513.576	1.685	0	40	KDAB	
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@H](O)[C@@H]1O	8829748	ZTLZGWDERZVHNS-MAWVZNKTSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1	12527439	FBWCUBINPYSCIU-UHFFFAOYSA-N	524.640	1.823	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C	20031643	ZOQOIDYNVGICTH-JOCHJYFZSA-N	517.629	1.857	0	40	KDAB	
COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(N(C)S(C)(=O)=O)cc1OC	20033565	CNZATMKRBLVXMO-UHFFFAOYSA-N	511.622	1.814	0	40	KDAB	
O[C@@H](COc1ccc(-c2nnco2)cc1)CN1CCN(C[C@@H](O)COc2ccc(-c3nnco3)cc2)CC1	26893742	HRTYXXGEDHQWNU-FGZHOGPDSA-N	522.562	1.584	0	40	KDAB	
c1ccc2c(c1)nc1n2CN(CCN2CCOCC2)CN1CN1CN(CCN2CCOCC2)Cn2c1nc1ccccc12	98007940	CBDFOMJYUDZVLD-UHFFFAOYSA-N	586.745	1.782	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1	103057558	ZXACGPYNASQKIX-LBPRGKRZSA-N	544.508	1.369	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	253505565	KXHCYYSIAXMSPA-MVIVUKKRSA-N	869.055	1.866	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O	257507354	OVMSOCFBDVBLFW-HLDUCUAOSA-N	586.634	1.653	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	584578865	BVDGQVAUJNUPGW-PQXQZJHMSA-N	646.642	1.058	0	40	KDAB	
NNc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NCCCC[C@@H](NC(=O)N[C@H](CC(=O)O)C(=O)O)C(=O)O)cn1	585656272	KYLABLZWEPFTQV-SEVDZJIVSA-N	847.927	1.079	0	40	KDAB	
COc1ccc(/C=c2\sc3nc(-c4nc5s/c(=C\c6ccc(OC)cc6)c(=O)n5n4)nn3c2=O)cc1	2332760	FANSALUVCYCILX-WHYMJUELSA-N	516.564	1.395	0	40	KDAB	
CCOC(=O)CC[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)cc1)C(=O)OCC	6546147	BNPGUMJQSQOFPI-PMACEKPBSA-N	536.578	1.696	0	40	KDAB	
COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O	13573869	VNHNMWINRHTRQQ-UHFFFAOYSA-N	526.590	1.082	0	40	KDAB	
O=CN1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1	13674581	GBAIGNPSPHVVGC-UHFFFAOYSA-N	513.357	1.787	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC	20033302	SMQPELDLQDNBEA-UHFFFAOYSA-N	525.649	1.677	0	40	KDAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2	100293899	AUTJONPJKVTSFC-LHEWISCISA-N	543.598	1.919	0	40	KDAB	
C[C@H]([C@@H](O)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)N1CCC(Cc2ccccc2)CC1	137276457	GXHMRNLUBONADM-FJULXFGYSA-N	501.576	1.334	0	40	KDAB	in-vitro
COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	226045418	GDLRDLANXLGIDW-UHFFFAOYSA-N	537.660	1.473	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	245266212	JFXMZRLCBGFDRB-UMBJODAVSA-N	501.488	1.653	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257214868	CNUOLZIVBSXOHS-JTSKRJEESA-N	552.378	1.562	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)NC(=O)c2ccccc2OCCNC1=O	643564886	LRMWRHXOYWZTIT-RJGXRXQPSA-N	524.618	1.455	0	40	KDAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC1=O	643578802	SNZUGYFYYHMJKP-BJKOFHAPSA-N	543.709	1.939	0	40	KDAB	
CCOc1cc(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1O	2134544	GJFXPZKOXXFGFY-OALUTQOASA-N	508.575	1.651	0	40	KDAB	biogenic
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1	20802853	ARPCVUWOZSIANT-IBGZPJMESA-N	515.412	1.322	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](CC(=O)O)C(=O)O)CC2)cc1	70687239	QGYPSDQPKQGWJK-VXKWHMMOSA-N	545.614	1.167	0	40	KDAB	biogenic
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O	96021378	JDLZBMWBXMQQOQ-XMMPIXPASA-N	550.540	1.036	0	40	KDAB	
COC(=O)c1sc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c(C(=O)OC)c1C	103070269	OEBICNFTZKJDGB-UHFFFAOYSA-N	538.478	1.507	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	254383262	ARPVHNFYZHWCNQ-PVIWCNJMSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
CNc1ncnc2c1ncn2[C@@H]1C[C@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H](O)[C@@H]1O	257312563	UONLDYFMKKDNMD-WCVDCBDPSA-N	549.629	1.035	0	40	KDAB	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O	257467156	KRZBCHWVBQOTNZ-CMTAKDINSA-N	516.455	1.030	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643566732	XUKDBMJTNMKZDA-RRPUWOKSSA-N	524.618	1.295	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582792	XRELDTKQMIZKES-SXOMAYOGSA-N	598.704	1.887	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000399	DVUHIYFVLVFKRW-BMQXZSLVSA-N	801.024	1.120	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	4018336	JNLHZQHCEMLHEB-DNQXCXABSA-N	624.782	1.041	0	40	KDAB	
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O	12888468	SXCIYEAPHOHMEG-HOJAQTOUSA-N	503.596	1.897	0	40	KDAB	biogenic
Cc1ccc([C@@H](C(=O)NCCC(C)C)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941093	ICIBDAXAKUEDSO-NRFANRHFSA-N	516.668	1.811	0	40	KDAB	
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCCN2CCOCC2)c2ccccc21	72104392	WPIZTVIGCQOUOM-QJOMJCCJSA-N	543.621	1.654	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101575463	QKPHMWUSYGCZRT-IEAFHPEVSA-N	574.535	1.985	0	40	KDAB	
CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)ccc21	102226147	HPIPYHZFIYNAND-QHCPKHFHSA-N	535.575	1.345	0	40	KDAB	
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2	102777751	MKCJZOQUUCOOJD-QHCPKHFHSA-N	547.586	1.373	0	40	KDAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NCCO)cc1	222950133	ZHDXBAUPTSDOEI-HXUWFJFHSA-N	517.648	1.938	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1	250512821	ODPZJAAJIRYNEL-CDJZJNNCSA-N	538.506	1.068	0	40	KDAB	
Cc1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	257317908	VLRHJGWMCPXBAO-DWACAAAGSA-N	563.659	1.646	0	40	KDAB	
CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	408924723	LVNJUMYFWVOBQH-KRWDZBQOSA-N	511.622	1.899	0	40	KDAB	
C[C@H](C(=O)[C@H](N)[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](N)C(=O)[C@H](Cc1c[nH]c2ccccc12)[C@@H](N)C(=O)[C@@H](N)Cc1cnc[nH]1	575319561	UHERAKUKXITLHD-VKKRKVKBSA-N	929.140	1.140	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)NC2(CCCC2)C(=O)N1	643572330	UVKYFBQFAKZCCK-GOTSBHOMSA-N	550.660	1.676	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1	989078	WQQAXTIMFPSTHD-GRTQGXPSSA-N	522.579	1.567	0	40	KDAB	
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O	14141556	CVVYIIRUKVZJDR-AREMUKBSSA-N	510.616	1.617	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	15954760	YTUKMTMUFQONEC-WRHNGFHOSA-N	525.602	1.437	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	30860142	SXBGACJRPLWVIB-UHFFFAOYSA-N	514.601	1.870	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	62725294	WSIIBQIRXPPYHU-ZFORQUDYSA-N	511.505	1.198	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O	96019868	XIHFRYGVURIKQY-UHFFFAOYSA-N	558.672	1.524	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)cc2OC)c(OC)c1	575426213	OREOBCSXHXCJIE-HSZRJFAPSA-N	592.714	1.267	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)cc1	4235827	HSEKZTCCCSRCLB-DXBBTUNJSA-N	503.533	1.909	0	40	KDAB	biogenic,in-vitro
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(CCCN)ccc2N(CC(=O)O)CC(=O)O)c1	4293797	ZSDZBRORQYHNKF-UHFFFAOYSA-N	547.561	1.295	0	40	KDAB	in-vitro
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	12926601	JIJUDNQUUBJSJD-UHFFFAOYSA-N	520.656	1.014	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(OC)c(OC)c4)CC3)nc21	29747486	KJXBSYQEYYLPDW-UHFFFAOYSA-N	526.575	1.364	0	40	KDAB	
COC(=O)c1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc(C(=O)OC)c1	97980033	KLGHKHYILPKIEG-LAQIPUCWSA-N	553.977	1.973	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(Br)cc2)c(N)n(Cc2ccccc2)c1=O	103046419	WJRMBABGKURPHW-UHFFFAOYSA-N	530.331	1.616	0	40	KDAB	
C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	253603713	KRQDMAXNTWLTDZ-NQNAYNGESA-N	721.929	1.963	0	40	KDAB	endogenous,in-man
COc1ccc(OC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1	254556984	ZLUXQKPMUHNNTK-XDWAVFMPSA-N	513.521	1.032	0	40	KDAB	
Oc1ncnc2c1ncn2[C@@H]1C[C@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@@H]2O1	263599597	JCEQFKTYTDQNAZ-ONTSKIAFSA-N	523.137	1.491	0	40	KDAB	
CN1CCCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)CC(=O)NCCOc3ccccc3C(=O)N2)CC1	643569703	APICHZAZOCBJRT-DEOSSOPVSA-N	535.645	1.267	0	40	KDAB	
CC(C)NC(=O)N1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889813	KKRZGBJQNKERFQ-YADHBBJMSA-N	564.705	1.556	0	40	KDAB	
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12	2743781	ZOPFOHDSFBKCKW-ZUZCIYMTSA-N	545.466	1.970	0	40	KDAB	
Cc1nnsc1C(=O)N[C@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C1	4221688	BCTOCSNIRFPYJB-DBVUQKKJSA-N	549.613	1.537	0	40	KDAB	biogenic,in-vitro
Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	20193883	HRDWSWBYGIIADD-UHFFFAOYSA-N	505.557	1.821	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)c1	22609742	VAVOHOFXYYDXTO-QHCPKHFHSA-N	525.606	1.190	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(COc2ccccc2F)n1N	72104776	KWMGDKCJRAKDPQ-UHFFFAOYSA-N	536.611	1.770	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@@H]2SC1	97948366	WOZLUSODATVCBH-SJCJKPOMSA-N	567.340	1.844	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C\C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	100604305	KLQXPYFNSWYRBB-XTUFYQMUSA-N	518.559	1.141	0	40	KDAB	
Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	102920281	GZTHCHJTRCJFJI-UHFFFAOYSA-N	530.054	1.942	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643564718	BXBIDFIGQMOFHQ-OWWCKCFISA-N	642.842	1.934	0	40	KDAB	
CC(=O)O[C@H]1CO[C@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H](OC(C)=O)[C@@H]1O	2061000216	HVPKALQHGQMJER-GRENMGTDSA-N	869.055	1.866	0	40	KDAB	
NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	4016597	IJBJZNHVCMJTNM-LOSJGSFVSA-N	548.596	1.182	0	40	KDAB	
OCC(CO)(CO)NC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	10384387	UJSNIDQFMLKDBK-AWEZNQCLSA-N	502.203	1.986	0	40	KDAB	
CCOC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)sc(C(=O)N(C)C)c1C	32945518	LSRSZSJNABSUJC-UHFFFAOYSA-N	500.533	1.827	0	40	KDAB	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	95600656	YEWVZURJBOKASX-UHFFFAOYSA-N	544.051	1.943	0	40	KDAB	
CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O	97980359	MIKOYUZQGARNEE-CSKARUKUSA-N	587.655	1.788	0	40	KDAB	
Cn1c([C@@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100377884	XKUFXZVUJRSLRP-DYLHXGEVSA-N	595.678	1.762	0	40	KDAB	
NC(=O)C1(N2CCCCC2)CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1	101356560	KGLHGFMDOSEMAT-UHFFFAOYSA-N	537.577	1.124	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	245190513	MQTOSJVFKKJCRP-PYIIMKBESA-N	748.996	1.901	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C(C)C)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582674	SLPAHOSRUIHTJV-FTJBHMTQSA-N	563.699	1.696	0	40	KDAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@@H]4CC[C@]23C)O1	1549184139	DOBBVWQBEBEQJI-BIPSDXEPSA-N	801.024	1.362	0	40	KDAB	
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc3ccccn3)cc1)O[C@@H]1OC(C)(C)O[C@H]21	1839491	NEZKPXFSPBYPFW-DLBZZEGUSA-N	562.601	1.334	0	40	KDAB	biogenic
COc1ccc(C[C@@H](NC(=O)NSc2ccccc2)C(=O)N[C@H]2[C@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@H]2CO)cc1	4803642	CKCKOHXJUYIKSC-SSJJHCFESA-N	622.708	1.254	0	40	KDAB	
CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCC2	13555666	RYNCOXCQSCAITC-DTQFFGBLSA-N	522.583	1.604	0	40	KDAB	
Cn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(N)n(Cc2ccccc2)c1=O	35973872	PTJOUOQAXVVPPO-UHFFFAOYSA-N	576.473	1.129	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	169298257	NNDHDYDFEDRMGH-FQEFEFATSA-N	586.726	1.718	0	40	KDAB	
CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@H]12)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC	242547827	KUVBGCMJMQPNOD-QPNXUDDWSA-N	793.948	1.607	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585271699	BMDNQEKVORCZJC-MHZLTWQESA-N	512.607	1.191	0	40	KDAB	
CO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cnc2c(O)nc(=NCSc3ccc(C)cc3)[nH]c21	2049305481	BCGACEZASWKUMC-WGQQHEPDSA-N	517.564	1.831	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6136198	BLAWQRCIUJEFQD-OAQYLSRUSA-N	519.587	1.914	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccccc1F)c(=O)n2Cc1ccccc1	12540794	TZFGPXYCUPARTK-UHFFFAOYSA-N	509.494	1.375	0	40	KDAB	
O=C(NCc1ccncc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	15219985	JUTCZKSZFPXYCJ-JOCHJYFZSA-N	500.602	1.462	0	40	KDAB	
CC(C)(C)OC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCOc1cccc(C(=O)NS)c1	72130558	GYNKDJOZCMTLDR-DEOSSOPVSA-N	672.798	1.547	0	40	KDAB	in-vitro
CCN1C(=O)C([C@H]2c3c(cc4c(c3OC)OCO4)CCC23C(=O)N(CC)C(=O)N(CC)C3=O)C(=O)N(CC)C1=O	100750314	UNAMYIIVCXTFCW-GOSISDBHSA-N	556.572	1.718	0	40	KDAB	biogenic
COc1ccc([C@H]2N[C@@H]2C(=O)c2ccccc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1	102324035	IOUUNJFANNRICA-BQCQBSFCSA-N	598.605	1.626	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1	102920853	OBDNSOLPCHJKOJ-UHFFFAOYSA-N	539.058	1.807	0	40	KDAB	
CNc1nc(I)nc2c1ncn2[C@@H]1C[C@@H](OP(=O)(O)O)[C@@]2(COP(=O)(O)O)C[C@@H]12	138042967	NMVWLEUONAKGCD-DDTBPZFTSA-N	561.166	1.011	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224469582	RMNLXNHCHPPVCV-QFIPXVFZSA-N	543.639	1.586	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	224472036	SIZGTJRPVMRLQO-UHFFFAOYSA-N	551.687	1.445	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)c2cnccn2)CC3=O)CC1	253397313	FNMKULIBLAUONG-MCTKTUQPSA-N	546.628	1.223	0	40	KDAB	
Cc1cn([C@@H]2C[C@@H](CN(Cc3ccccc3)C(=O)CC3(CC(=O)O)CCCC3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257233387	GPBXJPVHKDMLTO-HBUYNFGHSA-N	513.591	1.994	0	40	KDAB	
NNc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NCCCC[C@@H](NC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)cn1	585656270	KYLABLZWEPFTQV-ANLCFORVSA-N	847.927	1.079	0	40	KDAB	
COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@H](C(=O)N[C@H](CC(=O)OC)C(=O)CF)C(C)C	1350726966	RTQMMCFXNFLOLD-MDGQWPFJSA-N	892.843	1.493	0	40	KDAB	
CC(C)NC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C1	4277969	JPDAZLGCJIOMAW-DHIUTWEWSA-N	510.639	1.892	0	40	KDAB	biogenic,in-vitro
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1	15224798	KVAQVVPDVJAKQW-UHFFFAOYSA-N	508.306	1.925	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	15958430	VTGHXFNCEBBMSE-QLEBEQNUSA-N	510.934	1.626	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	97946034	MQRBYFLGBUPNBV-IAQYHMDHSA-N	541.302	1.275	0	40	KDAB	
CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1	100876827	UICWQJNNTLILIJ-GYHWCHFESA-N	554.672	1.685	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2	224307933	FESMVTHHQRUMQC-UHFFFAOYSA-N	553.659	1.941	0	40	KDAB	
CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@]25C[C@H](OC)[C@H]2C[C@]3(O)[C@H]5[C@H]2OC)[C@@H]14	253590240	DTTPWCNKTMQMTE-NNZHRLCWSA-N	507.624	1.350	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCOCC1	408693325	OGUGJAULQUTFOP-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
COc1cc(N2C(=O)N[C@@H](CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)C2=O)cc(OC)c1OC	524731818	LSNVPVBFLLTPQS-MXSMSXNCSA-N	500.552	1.387	0	40	KDAB	biogenic
O=P(O)(O)c1ccc(-c2nc(-c3ccc(P(=O)(O)O)cc3)nc(-c3ccc(P(=O)(O)O)cc3)n2)cc1	1975529840	ONSQZSALRXQAJG-UHFFFAOYSA-N	549.309	1.282	0	40	KDAB	
CNCCOc1cc(Cl)ccc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879560	DNPKTDQTAQFHKT-OALUTQOASA-N	504.971	1.114	0	40	KDAB	
Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c(=O)n(C)c1=O	3379634	IMFPDOYWSFNFEC-UHFFFAOYSA-N	506.544	1.677	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2CCN(C(=O)C=C(C)C)[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1	3839167	HDUZLFWCHVZTTN-ZDXQCDESSA-N	507.591	1.965	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1OC	15969346	YWKGSECTELBOFJ-CPVJYWEUSA-N	526.977	1.586	0	40	KDAB	biogenic
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877469	CWQAGOFLPSXOSJ-BZZOAKBMSA-N	566.683	1.829	0	40	KDAB	
CC1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O	103651425	SGYJGGKDGBXCNY-QXUYBEEESA-N	526.634	1.017	0	40	KDAB	in-vitro
COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1	260892460	YWTLAIUUTYCMTL-MRXNPFEDSA-N	529.637	1.304	0	40	KDAB	
CCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)CCCC(=O)C[C@H](O)[C@H](CC)C(=O)O1	263603196	NFPGARBTLUEZRE-GTMOIDDQSA-N	767.910	1.545	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	299804407	MQTOSJVFKKJCRP-JRDSFLIFSA-N	748.996	1.901	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	408693943	CNHXIQJWKLXNDS-UHFFFAOYSA-N	507.634	1.888	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)cc2c1OCCCO2	524731409	WMHKDXRIKMMMCV-UHFFFAOYSA-N	575.640	1.728	0	40	KDAB	biogenic
COCC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c2ccccc2F)CC1	643586484	GZDUYASZYXSCOK-VDKIKQQVSA-N	512.619	1.706	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OCC)[C@H]1c1cccc(OC)c1	2217782	ZMXAXDSKCVWNMS-URBQWANRSA-N	536.606	1.957	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1=O	13062453	ZNEQZMVIUMJYAN-FMIVXFBMSA-N	511.918	1.906	0	40	KDAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1OC	13150588	OHZPISBHTAFUOG-OAQYLSRUSA-N	507.595	1.463	0	40	KDAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c(=O)n(CC(=O)NC(C)C)c2cc1OC	45995765	IPHOYBLJLPSTNR-UHFFFAOYSA-N	524.574	1.226	0	40	KDAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C[C@@H](C)O1	96019670	QCFJKPINGGVYEU-RKPUJPDHSA-N	594.643	1.187	0	40	KDAB	
Cc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@@H]23)cc1Br	98045687	JTAVMWGYKAFSOQ-WBMJQRKESA-N	525.410	1.426	0	40	KDAB	
COCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)sc(C(N)=O)c1C	103113202	ASCDLTUEIWNUNT-UHFFFAOYSA-N	567.642	1.929	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Br)s2)cc1C	3307405	FJAJMKWHHIPJMC-UHFFFAOYSA-N	503.396	1.948	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6546812	HBNCSSXLWSEWIW-LJQANCHMSA-N	515.548	1.802	0	40	KDAB	
C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	44350969	CMHWMOGWFZWDMR-UEVATAMWSA-N	536.662	1.429	0	40	KDAB	biogenic,in-vitro
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCC3(CC2)OCCO3)CC1	67336910	QTYALZHSGRGYPO-UHFFFAOYSA-N	519.624	1.309	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCNC1=O	643568104	KCIPCOKFSOAPOH-SETSBSEESA-N	663.772	1.774	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NCc1ccccc1)CC2	1548888932	CXSWKRGCKGPISX-RTWAWAEBSA-N	528.631	1.454	0	40	KDAB	
CN(C)c1cccc(Oc2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)CC4(CC(=O)O)CCCC4)CO[C@H]23)c1	4147907	ZWTXFMPLBPHNNN-MOXQZVSFSA-N	500.556	1.780	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@H]1[C@@H](Oc2ccc(Br)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	9974866	QBFVABHSGIIDPA-UTBUEMAESA-N	502.314	1.484	0	40	KDAB	
COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	16050455	ALIFUDXKYLGKKN-OAHLLOKOSA-N	504.594	1.811	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	20368247	ANCGOIGUUIJHMA-UHFFFAOYSA-N	524.690	1.719	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3OC)CC2)c1	22609756	JNMJTJAZAHHGAD-JOCHJYFZSA-N	525.606	1.190	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@@]2(O)[C@@H](O)[C@H](O[C@H]3C[C@H]4[C@]5(C)C[C@H](O)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@]5(C)CC[C@@]45C[C@@]54CCCC(C)(C)[C@@H]34)O[C@H](CO)[C@H]2O)OC[C@@H](O)[C@@H]1O	256079924	LFJNPJBIDAQEHH-BBLMQERFSA-N	827.018	1.644	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@](C)(O)CO	299851152	ABPYUKBBMCBILQ-LDROZYBQSA-N	737.939	1.538	0	40	KDAB	in-vitro
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CC1=O	643574688	KBHUBOGAZNAMCA-VPUSJEBWSA-N	622.767	1.060	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2ccccc12	19821048	ZZACIWYJPDNMKQ-QFIPXVFZSA-N	503.559	1.546	0	40	KDAB	
CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O	38143889	BMYUIXRQCPBGKG-WTYMVSKMSA-N	502.516	1.492	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)CC2)cc1	96021400	VUVIUIHKTOAXJC-AREMUKBSSA-N	542.614	1.456	0	40	KDAB	
COc1cc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc(OC)c1OC	103012285	JJVWFOSZECCTDG-UHFFFAOYSA-N	535.619	1.751	0	40	KDAB	
O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223149951	GIPACPZBYDPTBZ-NDEPHWFRSA-N	599.681	1.974	0	40	KDAB	
Cn1c(=O)c([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc2ccccc21	524731107	KLADLNWVXSGPKN-SLYNCCJLSA-N	542.592	1.986	0	40	KDAB	biogenic
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1	643565231	GAUOKDQSVKZKOC-YYDVJCTNSA-N	538.601	1.267	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574680	JQXZJWCROVEADV-XNFLFYSQSA-N	659.788	1.687	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2071008	FJCKNFKZCBCUMM-AYWGPLOBSA-N	545.573	1.987	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)c1	2655365	DJSWFVAFKQTDGT-UHFFFAOYSA-N	503.610	1.519	0	40	KDAB	
CC(C)(C)OC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCOc1cccc(C(=O)O)c1	72130494	GXQWMSFJRGMWGC-XMMPIXPASA-N	641.715	1.671	0	40	KDAB	in-vitro
CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	95568845	UKTZDMHNSXOVGJ-UHFFFAOYSA-N	527.010	1.938	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Br)c3C)[C@@H]2SC1	97945317	POBGHJCKWKQXDA-WBMJQRKESA-N	523.312	1.193	0	40	KDAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O	102058907	NMDALIGPSXAUAQ-UODIDJSMSA-N	638.766	1.099	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	103066080	UQPOSGFGONIRAR-UHFFFAOYSA-N	541.604	1.126	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1	224268685	KMTCHKAOTNTHIU-UHFFFAOYSA-N	504.030	1.547	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	224347678	XILPCAVGNXKCCF-UHFFFAOYSA-N	511.622	1.295	0	40	KDAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cnc[nH]4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	514287374	MHHXWDOCGLJIHQ-CFJXPYFLSA-N	580.686	1.094	0	40	KDAB	
COC[C@]12CC[C@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@H]5[C@@](OC(C)=O)([C@@H](O)[C@H]6OC)[C@H]([C@@H]3N(C)C1)[C@H](OC)[C@@H]24	1529051510	FIDOCHXHMJHKRW-JJRCLHKJSA-N	615.720	1.287	0	40	KDAB	
COc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC	8901471	PLVQOQXUMAOUQQ-AWEZNQCLSA-N	501.565	1.099	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1	12861575	PPTMRVLMFQZWTH-UHFFFAOYSA-N	552.679	1.959	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	15969360	BNUMKFBPNOFSJR-COYUXWILSA-N	520.586	1.549	0	40	KDAB	biogenic
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(CO)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)[C@@H]1O	70691868	LELZHYIYODBMGR-XUJJAKDJSA-N	566.688	1.053	0	40	KDAB	biogenic
COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1	100868989	UHJBMHGOKUQDBE-LJQANCHMSA-N	530.868	1.876	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1	224472895	YUWNUPUGUNTQPO-UHFFFAOYSA-N	543.689	1.365	0	40	KDAB	
CCCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@](O)(C[C@H](O)[C@H]2C(=O)O)C[C@H](O)C[C@@H]2O[C@@H]2C=CC(=O)O1	255988652	MUAOHYJGHYFDSA-XBVXSMOTSA-N	707.814	1.290	0	40	KDAB	
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1O[C@H](C)C(=O)O	409013158	LQQVJHZNTWUGTM-FPXKJXHESA-N	524.530	1.915	0	40	KDAB	
O=C(CN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)CN(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	575420623	CYQMMRNLTIBWQL-DNQXCXABSA-N	504.674	1.934	0	40	KDAB	
C[C@@H]1NC(=O)CN(C)C(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)C[C@H](c2ccc(F)cc2)NC1=O	643569326	CJHNCBNHCGPHKY-PDIWNELESA-N	557.598	1.113	0	40	KDAB	
CCOc1ccc(N(CC(=O)NC[C@@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)S(C)(=O)=O)cc1	6600921	ZKIGAISWWGTUJX-LJQANCHMSA-N	584.717	1.337	0	40	KDAB	
COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	17414141	UAUWJXZXZBNZOI-MCEYFSPLSA-N	571.652	1.884	0	40	KDAB	
C(/C=C/c1sc(N2CCOCC2)nc1N1CCOCC1)=C1/SC(=[N+]2CCOCC2)N=C1N1CCOCC1	59608411	YXQWHSLEJLEWBS-UHFFFAOYSA-N	547.727	1.590	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)[C@H](C)O)cc1	110531383	SFTZKTMRGJIBQL-UVARLRKDSA-N	521.617	1.889	0	40	KDAB	
COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1	253400276	KYZIGVAJEBDSPJ-SDBGCZOPSA-N	586.711	1.386	0	40	KDAB	
C[C@]1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1cccc(F)c1	257290767	QEGGJPMMCFFAJR-UPVQGACJSA-N	507.584	1.689	0	40	KDAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1OC	409206027	LSYNFEPIRIMVMU-UHFFFAOYSA-N	549.627	1.890	0	40	KDAB	
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2F)CCN1C(=O)c1cccn1C	3839092	XHADLLREZORDSP-SXLOBPIMSA-N	503.506	1.872	0	40	KDAB	biogenic,in-vitro
CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	12311747	JSTFRRPKUUICDT-UHFFFAOYSA-N	524.530	1.288	0	40	KDAB	
Cc1cccc(NC(=O)COC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)c1	12541048	HYJPTUWYSZOLOX-QHCPKHFHSA-N	517.604	1.952	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	12885677	CRPZVVUZNMTOHE-XECMSXCGSA-N	507.543	1.840	0	40	KDAB	biogenic
Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)NCC(=O)O)c(C)c3cc2c1C	12889198	RVUPNSRNSZZJIY-GOSISDBHSA-N	514.535	1.449	0	40	KDAB	biogenic
COCCn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	57640551	MOIHDJZBHXNETN-UHFFFAOYSA-N	506.519	1.863	0	40	KDAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)CC1	102851421	UKOFANLLPHXJHP-QFIPXVFZSA-N	541.533	1.193	0	40	KDAB	
CCn1c(C)nc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)ccc21	257217142	CXRHEZDKJBOUKN-IDISGSTGSA-N	549.632	1.499	0	40	KDAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1I	408549635	WAJQUHORJZXGLG-VZUCSPMQSA-N	600.103	1.513	0	40	KDAB	
Cc1ccc(S(=O)(=O)N([C@H]2CCS(=O)(=O)C2)N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575424772	MQARTLCGKZEZDI-VXKWHMMOSA-N	604.794	1.891	0	40	KDAB	
COc1cc(CN2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OCCN1CCC(C)CC1	585274786	ZPJKOMADAYMCRV-AOYPEHQESA-N	501.628	1.257	0	40	KDAB	
Cc1cnn(CC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	585286809	QXLAJXHHDFMLAX-VWLOTQADSA-N	504.031	1.994	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643564722	BYJANMQGDRLHEF-WFHKDSDPSA-N	502.612	1.239	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643572457	DACOPMJFTQDCQE-JPQYBODWSA-N	614.788	1.346	0	40	KDAB	
COc1ncccc1CN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890570	TYIXLRRBCJFDHW-RPWUZVMVSA-N	596.710	1.548	0	40	KDAB	
CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O	12888651	VTSDQSJBKBMGIY-ILWGZMRPSA-N	500.621	1.778	0	40	KDAB	biogenic
C[C@H]1CCOCCCOC(=O)CCOCCC(=O)OCCCOCCCOC(=O)CCOCCC(=O)O1	16940897	QKMBHZGCGSQACL-NRFANRHFSA-N	534.599	1.749	0	40	KDAB	
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)O	49942550	ZXEULDJSILFOED-OUVFHBEHSA-N	517.575	1.522	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	59838906	UFKAUDCTKCVEDJ-LJQANCHMSA-N	555.650	1.572	0	40	KDAB	
COC(=O)[C@@]1(Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1	77319856	OSBBVRZZLWPPFC-QYKUMLHOSA-N	703.572	1.712	0	40	KDAB	in-vitro
CCOC(=O)[C@@H](Cc1ccccc1)NC(=S)N1CCN(c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)CC1	98007312	DBNRAVCSPPSJCZ-HXUWFJFHSA-N	538.630	1.681	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277277	TXBZVZJTIGDVTH-RBJSKKJNSA-N	611.675	1.694	0	40	KDAB	
COc1ccc(CN2C(=O)C[C@@H](N3CCN([C@@H]4CC(=O)N(Cc5ccc(OC)cc5)C4=O)CC3)C2=O)cc1	103116178	BOYKBKWTWKIAOM-DNQXCXABSA-N	520.586	1.277	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	150340567	QMXIJZDGCJEANV-LFZGUJIPSA-N	673.720	1.041	0	40	KDAB	in-vitro
CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]31C)OC(=O)[C@H]2CN1CCN(C(=O)c2ccccc2)CC1	253393393	POYYGIAOXNFMAN-SCGXBWATSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565073	ALPKMUZWZRZPMM-XUZZJYLKSA-N	515.655	1.159	0	40	KDAB	
C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)NCCCCC(=O)N(C)CC(=O)N1	643569469	XEENUMKKHNCNBJ-SVEHJYQDSA-N	664.804	1.356	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(CCC(F)(F)F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548889602	HZGSXLAAHIZUBQ-UXHICEINSA-N	571.622	1.897	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@H]3SC2)s1	9431494	ZSZSAKWJVDKMID-MLGOLLRUSA-N	516.577	1.820	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	59838118	GEKXIKMDHQRVMV-UHFFFAOYSA-N	539.676	1.742	0	40	KDAB	
CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccc(Cl)cc21	260890669	QHRBISIJXJBSGR-OAQYLSRUSA-N	544.051	1.847	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)CC1	643566390	DDJIXFWOFUEWAL-PUHATCMVSA-N	527.666	1.254	0	40	KDAB	
O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Br)o1	12598644	LAPURKUSXSRMSH-UHFFFAOYSA-N	514.354	1.076	0	40	KDAB	
NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	13814589	JZNCEZGBNNZBDQ-RRHHDSEZSA-N	500.486	1.798	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	100604299	KLQXPYFNSWYRBB-XGWCCFQXSA-N	518.559	1.141	0	40	KDAB	
COC(=O)[C@H](CCCCNC(=O)COC(=O)COCc1ccccc1)NC(=O)COC(=O)COCc1ccccc1	145578990	IFLWZCRFCHAGOA-DEOSSOPVSA-N	572.611	1.451	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(C)=O)C(C)C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	150663793	RPBOFHGWCDGAEG-HOKZZTCMSA-N	727.690	1.751	0	40	KDAB	
CC[C@H](C)[C@H](O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@H](C)CC	253480983	CPKXIKIVLSMABL-AXHMJHHVSA-N	752.892	1.204	0	40	KDAB	biogenic,in-vitro
CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12	2110678	SNXKESNSEZNQHH-XHCCPWGMSA-N	513.591	1.429	0	40	KDAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4cc(Cl)c(C)n4)[C@H]3SC2)s1	2809228	ULUSWTFNYOCDPK-CZUORRHYSA-N	515.042	1.926	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	20032588	APXVGXRPTOAXLT-UHFFFAOYSA-N	523.633	1.187	0	40	KDAB	
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O	31706511	NRSXTVORYUECDJ-ZXXIGWHRSA-N	528.579	1.710	0	40	KDAB	in-vitro
COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(=O)CO)CC[C@H]5[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O	123278710	UHXRPNKSNMPJSI-BIHATMPHSA-N	524.651	1.573	0	40	KDAB	
CCN(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1	226054281	KOFVZHFYKWXJIO-UHFFFAOYSA-N	518.455	1.863	0	40	KDAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12	247753462	BYMLPPUTYPTYIM-WJISMCILSA-N	672.915	1.500	0	40	KDAB	
CC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)C4CCOCC4)[C@@H](CNC(=O)[C@@H]2C1)O3	253397817	FZXLKTMALOPZOB-GEMTWJNPSA-N	542.677	1.579	0	40	KDAB	
CCCOc1ccc(/C=c2/s/c(=C\C(=O)OCC)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1OCC	255961472	LDYUIIROYKVHHJ-QDQSRYNDSA-N	518.632	1.565	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OCCNC1=O	643564367	GZHAPMLSSICLIE-CZZAQMAHSA-N	520.630	1.842	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643566876	YLMSJUXRLVEFKW-ZEQRLZLVSA-N	543.709	1.987	0	40	KDAB	
NC(=O)C1CCN(C(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)CC1	2037879204	FHHLFBWKDKULDJ-OYUWMTPXSA-N	579.742	1.391	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	106384189	UXRGMYFQEBYUQU-MENZVKOBSA-N	505.476	1.136	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	216390547	ZXCZHZRUSRWWEA-HNNXBMFYSA-N	527.621	1.946	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1	2037940819	IZZSCYDVXHGQTI-SSEXGKCCSA-N	568.671	1.759	0	40	KDAB	
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)nc1C	6599572	XRAIJTNTASVBKE-UHFFFAOYSA-N	505.582	1.643	0	40	KDAB	
O=C(CSc1nncn1CC(=O)NC(=O)NCCc1cccs1)NC(=O)NCCc1cccs1	12924741	AUCPRDFMAMAVBP-UHFFFAOYSA-N	521.650	1.630	0	40	KDAB	
COc1ccc(S(=O)(=O)c2cnc(N3CCN(CC(=O)N4CCCCC4)CC3)nc2N)cc1Cl	71771609	PBXWDKUEBGWQGY-UHFFFAOYSA-N	509.032	1.688	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Br)[C@@H]3SC2)s1	97947893	UKQNDAIMFCSTHH-ABAIWWIYSA-N	545.466	1.795	0	40	KDAB	
COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1	100868992	UHJBMHGOKUQDBE-IBGZPJMESA-N	530.868	1.876	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	224392469	DSCIOUSIFDHXKQ-UHFFFAOYSA-N	509.650	1.985	0	40	KDAB	
COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@H]5[C@]3(C[C@@]3(O)[C@H]6CN7C[C@H](C)CC[C@@H]7[C@](C)(O)[C@]6(O)[C@@H](O)C[C@@]53O)O[C@@]24O)cc1OC	248330444	FVECELJHCSPHKY-CEPFYYSFSA-N	673.800	1.356	0	40	KDAB	biogenic
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC	253388438	VLOGACFISZMMCN-VIHWTVKNSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
CCn1c(CCCC(=O)N2CC[C@@H](n3cnc4c3c(=O)n(C)c(=O)n4C)[C@](C)(O)C2)nc2ccccc21	257269598	MQPPHPRHNZJNHT-NIYFSFCBSA-N	507.595	1.351	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643551245	XTQWWUCKLULERP-BVXNIFABSA-N	630.831	1.838	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582711	VBMXFNVXBCENFV-PKTZIBPZSA-N	522.602	1.002	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2071010	FJCKNFKZCBCUMM-ZHHPLPSFSA-N	545.573	1.987	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3830816	VJJPUSNTGOMMGY-AGPSDJBRSA-N	588.562	1.339	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl	5295876	HFQHEXCMLGBORG-UHFFFAOYSA-N	607.878	1.807	0	40	KDAB	
O=S1(=O)C[C@H]2[C@H](C1)SC(=S)N2CCCCCCN1C(=S)S[C@H]2CS(=O)(=O)C[C@H]21	12174707	OWJNEVVWEFAPIV-CRWXNKLISA-N	500.780	1.545	0	40	KDAB	
COc1cc(/C=C/C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc(S(=O)(=O)NCc2ccco2)c1OC	12620711	WHBVEAFVRFNAJE-PSKZRQQASA-N	507.521	1.272	0	40	KDAB	
COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19825262	VODRNVYSZVZYNM-NRFANRHFSA-N	530.651	1.407	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	70697360	NCNYNAVURBMHFJ-WTLLVQHOSA-N	541.004	1.894	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1	97982621	CJGVSOCQZBRYPN-HOTGVXAUSA-N	538.652	1.731	0	40	KDAB	
COc1cc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc(CN2C(=O)c3ccccc3C2=O)c1OC	103054521	QBTYNBDZAYBQFR-KRWDZBQOSA-N	530.555	1.302	0	40	KDAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CC(=O)N[C@H](C(C)C)C(=O)N1	643565210	DNMOOQMMXNWYQN-JLRUASKGSA-N	538.649	1.388	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4csnn4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534612510	HQMAEFICDYNVPP-WPYKKVEZSA-N	531.660	1.430	0	40	KDAB	
COc1ccc(CCn2c(=O)[nH]c(O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2=O)cc1OC	2129525	DXCSGVNHONLCGK-NRFANRHFSA-N	511.531	1.817	0	40	KDAB	biogenic
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1	13150543	YIKKQAYHDLDTLX-XMMPIXPASA-N	516.620	1.670	0	40	KDAB	
CCCn1c(N2CCN(CC(=O)Nc3c(C(=O)OCC)[nH]c4ccc(OC)cc34)CC2)nc2c1c(=O)[nH]c(=O)n2C	102407818	AVZIVRXOQHSRJN-UHFFFAOYSA-N	566.619	1.261	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O	224255516	MLHMDMFEMYRMOI-IBGZPJMESA-N	501.602	1.816	0	40	KDAB	
Cc1nc(C)n(CC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)n1	585284817	JOAMEISIPGKRBI-RUZDIDTESA-N	519.046	1.697	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576044	FTEYMJRDLKFRAX-SVBPBHIXSA-N	628.730	1.450	0	40	KDAB	
NC(=O)C1CCN(C(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)CC1	1615124504	FHHLFBWKDKULDJ-KWXIBIRDSA-N	579.742	1.391	0	40	KDAB	
O=S1(=O)C[C@@H]2SC(=S)N(CCCCCCN3C(=S)S[C@H]4CS(=O)(=O)C[C@H]43)[C@@H]2C1	12174702	OWJNEVVWEFAPIV-MQYQWHSLSA-N	500.780	1.545	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1	16044017	VQGXRCABDMBZFU-UHFFFAOYSA-N	511.556	1.758	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)[C@H](C)C2)c1	95946018	YIILSOFPBLGVND-OAHLLOKOSA-N	500.595	1.805	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O	96019892	BJCSUCQSIPLGPL-DEOSSOPVSA-N	566.995	1.550	0	40	KDAB	
CCn1cc(C(=O)N2CCN(c3ncccn3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	102920841	XUBVJQVARRFHHC-UHFFFAOYSA-N	545.069	1.820	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O	103128687	VDAFFBQGFZMKHZ-RUZDIDTESA-N	562.601	1.139	0	40	KDAB	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2)C1	226152149	JKCSFEGZYVDADH-QZTJIDSGSA-N	516.638	1.614	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	248173536	ULGZDMOVFRHVEP-NBVXVZIQSA-N	733.937	1.786	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@@]5(O)[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	252694395	KBGNYIWYDYVUFP-XBWIOVKZSA-N	793.948	1.607	0	40	KDAB	biogenic
COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c(OC)c1	1879917	UNIVMUYLLLDNHP-JOCHJYFZSA-N	504.421	1.742	0	40	KDAB	
O=C(O)CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)CCCC1	4147920	UJNZFSHQVRENBP-BZRIBIQUSA-N	523.550	1.900	0	40	KDAB	biogenic,in-vitro
COCCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6905094	JWCVTKVKTYSBLD-FQEVSTJZSA-N	527.559	1.452	0	40	KDAB	
O=C(COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2	16035663	AOXJUGMWNGZLFX-YXSDIZSPSA-N	515.426	1.717	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23080183	AUBLMJIFLDRWMA-UHFFFAOYSA-N	508.531	1.784	0	40	KDAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	59923716	BAERABDDSNRONQ-OAHLLOKOSA-N	533.588	1.842	0	40	KDAB	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O	79214513	DHQFYEJMFMYGCV-VRSJZOOHSA-N	591.786	1.711	0	40	KDAB	biogenic
CCc1cccc(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC	103070273	RKVIOIHFHATDCB-UHFFFAOYSA-N	526.589	1.961	0	40	KDAB	
C[C@@]1(CO)[C@H]2CC[C@]3(C)[C@H](C=C[C@]45C[C@@]43CC[C@@]3(C(=O)O)[C@@H](O)C[C@](C)(CO)C[C@@H]35)[C@@]2(C)[C@@H](O)[C@@H](O)[C@@H]1O	253389368	IXIMDUAPYHOVHL-YADYOUPKSA-N	534.690	1.701	0	40	KDAB	biogenic,in-vitro
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3C(=O)NC[C@H]1O2	253402773	OREOKCJHSVHSOZ-USCUKXROSA-N	641.791	1.939	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O	643564911	MYOHFWXBWJBOFA-YTFSRNRJSA-N	531.698	1.697	0	40	KDAB	
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CC1=O	643574857	VVIHRHYCJABGTJ-IAPPQJPRSA-N	634.778	1.204	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(CC(=O)N1CCOCC1)CC2	2037879787	PZGJSXKRYKYLGR-XPWALMASSA-N	504.672	1.330	0	40	KDAB	
COc1ccccc1OCC(=O)N1CCC2(CC1)C[C@@H](O)[C@@H](O)Cc1ccccc1OCC(=O)N(C)C2	2037946878	NHWBTZOIQSFUHL-FCHUYYIVSA-N	512.603	1.888	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224228234	OEHNBFKAAOWJMT-MRXNPFEDSA-N	527.621	1.058	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c(OC)c1	224366719	IWUPTTCPGYRCPP-UHFFFAOYSA-N	555.675	1.840	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]43)C2)[C@H](O)[C@H](O)[C@H]1O	253498680	KFYOFJUUTSALEH-XTKKPIOMSA-N	871.071	1.322	0	40	KDAB	biogenic
COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCC(=O)O	409094464	DZBARVSFNHUWRD-UHFFFAOYSA-N	571.033	1.937	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)NCCCCC(=O)N(C)CC(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1	643568656	BXAQCXLAWQJGAW-REWPJTCUSA-N	614.769	1.721	0	40	KDAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1	3007313	MYIAJEMPNAHJGS-ZIAGYGMSSA-N	520.633	1.802	0	40	KDAB	
COc1cccc(-n2c(S)c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[n+]3cc(C(N)=O)ccc23)c1	3342730	JODKBRPGLNYBDM-UHFFFAOYSA-O	568.657	1.885	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	16034056	SFGCKIGLDNDZLI-WGXFTBGVSA-N	510.522	1.072	0	40	KDAB	
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc(C)c1C	34853966	NQZXZEQPOFCSHQ-UHFFFAOYSA-N	509.606	1.868	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@H]1C	66128742	NKSNFLQUMWGDHQ-LBPRGKRZSA-N	546.396	1.145	0	40	KDAB	
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	222659000	IIVGHQKJFBVHRS-UHFFFAOYSA-N	523.618	1.921	0	40	KDAB	
Cn1c(=O)n(C)c2cc(CCC(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)ccc21	257227571	FPYMBWJCWUYYFZ-JIPXPUAJSA-N	548.648	1.553	0	40	KDAB	
C[C@@]1(O)C[C@H](O)CN(C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)C[C@H]1n1cnc2c(N)nc(N)nc21	257315635	VCFJGAPPOKJDID-BSAZHYLBSA-N	505.461	1.085	0	40	KDAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]23C)O1	1549184166	DOBBVWQBEBEQJI-KMGYOKCRSA-N	801.024	1.362	0	40	KDAB	
CN(C)CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615161708	WYHQMRGFJTUKMV-DQEYMECFSA-N	567.687	1.355	0	40	KDAB	
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	4994458	HZASFOJVNSQXLC-RJGXRXQPSA-N	513.591	1.705	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)CC1	8902023	RPUXNCBGWBNXED-UHFFFAOYSA-N	516.555	1.226	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)c1	22609806	YBKUSBUMJYISOK-QFIPXVFZSA-N	513.570	1.321	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22867536	MIOONGGUEMOGJO-VWLOTQADSA-N	547.572	1.526	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)ccc1-n1cnnn1	100446578	QZZJZRKCEWWFEV-UHFFFAOYSA-N	548.589	1.528	0	40	KDAB	
CCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	102912203	JQMWFIZSKMIOFX-AREMUKBSSA-N	535.582	1.692	0	40	KDAB	
COc1cc(/C=c2/s/c(=C\C(=O)C(C)(C)C)n(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2=O)cc(OC)c1OC	150607719	WHRREGDDIGRDAZ-FXKLYGAQSA-N	643.784	1.693	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCC(C)CC1	224463371	CQTHIQMUFWQVPT-UHFFFAOYSA-N	581.713	1.946	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643565300	BRKIZFHCZXOMFY-LEDOBFOHSA-N	503.644	1.015	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643565305	BYWUGHYEPJVBRK-RXVVDRJESA-N	540.617	1.297	0	40	KDAB	
CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC1=O	643567217	VGJSWWOJEQXQLA-KNQAVFIVSA-N	526.565	1.351	0	40	KDAB	
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CC1=O	643574863	WESHLINNLQGGAG-DGPALRBDSA-N	662.832	1.984	0	40	KDAB	
CC(C)[C@@H]1CC[C@](O)(COC(=O)/C(=C/[C@@H]2[C@H](C(C)C)CC[C@]3(O)COC(=O)[C@H]23)CO)[C@@H]2C(=O)OCC(C(=O)O)=C[C@H]12	1772592006	WHDXIPRXUGLIGZ-GQEIBIHCSA-N	578.655	1.632	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	8791126	CRPZVVUZNMTOHE-VAXZJENFSA-N	507.543	1.840	0	40	KDAB	biogenic
COCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	72141347	VBXCKEYQYVWAEX-UHFFFAOYSA-N	532.623	1.549	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	97986549	AQKPXOWLUQPPRH-NNYIAGMLSA-N	531.514	1.661	0	40	KDAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N(C)c3ccc(Br)cc32)C(C(=O)OC)=C(N)O1	98008909	GIYQVCDWJPSTLX-JOCHJYFZSA-N	523.336	1.807	0	40	KDAB	
COC(=O)C(=O)[C@H](C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O	101388411	YRFHFYADBWEMCM-FQEVSTJZSA-N	540.488	1.699	0	40	KDAB	
CCn1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102921007	AOWMOKVIFVUVEY-UHFFFAOYSA-N	546.675	1.930	0	40	KDAB	
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC4)cn1c23	103021628	USTFPYKRTMFVMV-LJQANCHMSA-N	569.659	1.993	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCCOCCOCC2)c2ccccc2)cc1	141918180	DTAAMJRADXCWTD-SANMLTNESA-N	550.674	1.940	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OC[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	150396409	KQPACFUEGAAHNG-XZFVCVRUSA-N	669.721	1.904	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216307189	WSIIBQIRXPPYHU-WXRGLTTHSA-N	511.505	1.198	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2CC[C@H](O)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)cc1	257324138	WNIHETCFFPFPEJ-KOUHRCEDSA-N	541.609	1.557	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCNC1=O	643564625	WOIBHWALJADSSS-QLADTWODSA-N	579.698	1.363	0	40	KDAB	
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	3419759	DWDSMVPNHPUBRQ-UHFFFAOYSA-N	505.524	1.767	0	40	KDAB	
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1	9822836	VMZHRYOGDIMFNZ-UHFFFAOYSA-N	522.587	1.092	0	40	KDAB	
CO[S@@](=O)(=S)CCNC(=O)[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	169810997	WWCPISCDFZLLAA-ANXZEDNDSA-N	743.012	1.989	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224255649	POXOMMPMHIAMDC-NRFANRHFSA-N	513.638	1.685	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043185	YADTWKNLURWCCA-HOTYOMHHSA-N	678.745	1.765	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2nc3c(s2)CCCC3)CCCCOC[C@H](O)[C@@H]1O	643550692	SHKKYYSNGRKTNY-JTAQYXEDSA-N	512.673	1.048	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	67337073	QNKYJVGQDKJRAU-UHFFFAOYSA-N	518.640	1.117	0	40	KDAB	
CC1(C)NC(=O)[C@H](CCCCCC(=O)[C@H]2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O	96902556	SGYJGGKDGBXCNY-NNXSRULWSA-N	526.634	1.017	0	40	KDAB	in-vitro
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCC1	98023341	PUEHTZIETDQCKV-HNRBIFIRSA-N	652.836	1.821	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@@]5(C)C(=O)[C@@H](O)[C@H]3[C@@H]2[C@]45O)O[C@H](C)[C@H]1O	119174005	XYPIGUUTGMMFPH-XCQCZGEZSA-N	562.656	1.276	0	40	KDAB	
C[C@H](N)C(=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc2ccccc2c1	150342218	VJBAWMTTYDQWBO-MOIBSVAOSA-N	817.992	1.754	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(F)c1	224372698	NXUWETWNXFWZBI-UHFFFAOYSA-N	513.613	1.962	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	226074291	CSCAAVZNQPXUST-UHFFFAOYSA-N	525.649	1.508	0	40	KDAB	
C[C@@H]1C(=O)O[C@@H]2[C@@H]1O[C@@]13O[C@@]4(CC[C@]5(C)C(=O)[C@H](C)[C@@H]2[C@@H]51)C[C@]12OC(=O)C[C@@H]1OC(C)(C)[C@@H]2C[C@@H](O)[C@H]4C3=O	247933227	CWFGQJNQESAHDH-XPVKJYRWSA-N	544.597	1.483	0	40	KDAB	biogenic
CC(=O)OC[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	253529641	JDQAJUDONPAIME-OZDWPBPOSA-N	955.145	1.916	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCn2ccnc2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564310	BRGPAVITFILEDC-VTKNMLBTSA-N	540.665	1.642	0	40	KDAB	
O=C(C1CCOCC1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578832	IRFOXYIGBOQLJP-BJKOFHAPSA-N	503.640	1.758	0	40	KDAB	
CCOc1cc(N)c(Cl)cc1C(=O)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O	1569996479	MXOZOSCURHXPKN-MUDFHLJKSA-N	612.007	1.547	0	40	KDAB	
CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1	6500741	RRJNQJFFIFMPAE-RJRNSMGGSA-N	529.571	1.467	0	40	KDAB	
CCOc1ccc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)cc1S(=O)(=O)N1CCCC1	12979831	VTQDKOWFCDNQNM-UHFFFAOYSA-N	515.544	1.581	0	40	KDAB	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2	13140117	MUWYSTJWISTNED-UHFFFAOYSA-N	525.605	1.116	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	20030673	YOSFYUGIRINQBI-UHFFFAOYSA-N	517.629	1.892	0	40	KDAB	
COC(=O)C1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3cn(C)c4ccccc34)N2C)CC1	35442540	SISSTLWCTBMNIQ-NZJKTDFXSA-N	509.651	1.743	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc3ccccc3c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	110545943	JFXMZRLCBGFDRB-GCSUUFGQSA-N	501.488	1.653	0	40	KDAB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)NCCSCCNC(=O)C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC	150474827	RSHGFIWAOQUUFJ-UHFFFAOYSA-N	678.805	1.739	0	40	KDAB	
COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224484301	HOBYMPOCLUCLHD-IBGZPJMESA-N	555.675	1.374	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	252695326	YFGQJKBUXPKSAW-YSTAXILLSA-N	969.128	1.642	0	40	KDAB	biogenic
COc1cc2c(=O)c(-c3ccc(OCC(=O)OCC(=O)O)cc3)coc2cc1OCC(=O)OCC(=O)O	2060993772	SGWOSADSPPLVBZ-UHFFFAOYSA-N	516.411	1.482	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1	12604809	VXHVQVLNMMCDKZ-UHFFFAOYSA-N	505.549	1.035	0	40	KDAB	
COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1	72142316	XICXMZPOPYVHPT-GBXBDOIYSA-N	549.646	1.673	0	40	KDAB	
C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2	100928897	FYSGSJYHTVGYLT-NXLVEIQXSA-N	506.669	1.897	0	40	KDAB	
CO[C@H]1C[C@]2(O)[C@@H]3C[C@@H]4[C@@]5(CC(=O)c6ccccc6NC(C)=O)CC[C@@H](OC)[C@@]4([C@@H]4C[C@@]1(O)[C@@H](OC)[C@@]42O)[C@@H]3N(C)C5	255962849	APSFXRUTRLTKQA-SPWDUKKKSA-N	584.710	1.610	0	40	KDAB	in-vitro
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC	643568113	KPULOGQFCGIJRU-NEKDWFFYSA-N	639.750	1.486	0	40	KDAB	
Nc1nc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cs1	643580288	ASASVRMZDUNJBJ-LEWJYISDSA-N	517.652	1.684	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643582595	OSBLFJANDGOWHH-PKTZIBPZSA-N	550.660	1.301	0	40	KDAB	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4F)ccc3OC[C@H]2C1	1772594510	HFCUYVHKPCLUFU-GOSISDBHSA-N	514.583	1.944	0	40	KDAB	
CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2cccc3c(S(=O)(=O)C[C@@]4(C)SC(NC(C)=O)=NN4C(C)=O)cccc23)S1	8398708	CQKXRYHAFSVKMJ-CLJLJLNGSA-N	682.828	1.824	0	40	KDAB	
COC(=O)CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1	13000211	DAAUUYXIXBJHAL-LJQANCHMSA-N	513.569	1.459	0	40	KDAB	
CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1	82175422	SKZOFFRZXFEXIO-SSVAKIOMSA-N	688.823	1.148	0	40	KDAB	
CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C(=O)OC)[C@@H](c2ccc(OCC)cc2)C=3C(=O)OC)cc1	100817057	CQBNEYXXTPPZCS-WOHXKIKESA-N	536.606	1.957	0	40	KDAB	
CON(S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	102179180	CQCVYGVRHOOMEZ-UHFFFAOYSA-N	593.727	1.197	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	215934202	AQKPXOWLUQPPRH-LCTKTHOQSA-N	531.514	1.661	0	40	KDAB	
COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224290110	BKHCVQOVLGLNKS-UHFFFAOYSA-N	525.649	1.749	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	224485741	MKIMGNSZWJOZLH-HSZRJFAPSA-N	555.675	1.456	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1N1C(=O)CCC1=O	225116894	DMUOOGMUVVWESP-UHFFFAOYSA-N	536.632	1.394	0	40	KDAB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CO)CC[C@]3(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C	253389343	IDUNGWJLADYQNW-ZJDNFKTFSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@@H]2[C@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H](O)CC4=CC[C@@H]5[C@H]6C[C@H]7O[C@@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]5[C@]43C)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	253612220	CJEFMQWHKUPVBZ-SNUZLSBTSA-N	897.065	1.422	0	40	KDAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1	260740104	LKAJJENFPANLNK-IBGZPJMESA-N	509.650	1.889	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585271607	AZMDOUINBYWCQE-NDEPHWFRSA-N	524.618	1.790	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	1549184558	ZKMRZIYTCZLEAV-GUYFGNNASA-N	796.992	1.287	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1O	2054651238	SMZYCXAYGPGYRS-IGFXNNGFSA-N	827.018	1.295	0	40	KDAB	
CCN1C[C@@]2(COC)[C@@H](O)C[C@@H](OC)[C@@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@H]14	2060999911	PHDZNMWTZQPAEW-OJRXIENYSA-N	629.747	1.677	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C	3363146	ZMMFEGCFYHHVFH-GOSISDBHSA-N	500.577	1.950	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3830818	VJJPUSNTGOMMGY-SMSZSHQGSA-N	588.562	1.339	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1	44946255	XZVFJJYEMKYMHL-UHFFFAOYSA-N	511.622	1.889	0	40	KDAB	
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(N)=O	79204091	IRZIRGSTEJPVHR-PMOQBDJRSA-N	678.784	1.190	0	40	KDAB	biogenic
CCOC(=O)/C=c1/s/c(=C\c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@H](C)O[C@H](C)C1	102959459	YGKNMQCWVJOQAC-QAUNCOOZSA-N	504.605	1.125	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1	222830942	HMFVDMBQAMQEBC-UHFFFAOYSA-N	532.040	1.143	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCN2CCOCC2)cc1OC	408621113	NSDNWVVITXQBPY-UHFFFAOYSA-N	505.637	1.776	0	40	KDAB	
COCCN(C)C(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1	643564692	ARLMEMCKYDNRSI-GIBNYFNHSA-N	617.788	1.875	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565229	DXOINFPNWLPIGX-URXFXBBRSA-N	528.581	1.501	0	40	KDAB	
CCOCOC[C@H](O)[C@@H](OCOCC)[C@H](OCOCC)[C@@H](OCOCC)[C@H](O)CP(=O)(OC)OC	2056127422	SCLBCMCXPRADKK-ZPAWYTMASA-N	536.552	1.342	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)C(=O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	253597602	MJRBQYVTTDHVQN-WUDNGZOXSA-N	808.959	1.445	0	40	KDAB	biogenic,in-vitro
CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CNS(C)(=O)=O)CC2)CC1	257285505	PHLQUTHKOZZVHU-UHFFFAOYSA-N	501.049	1.041	0	40	KDAB	
C[C@]1(N(CCNS(=O)(=O)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CCS(=O)(=O)C1	575421454	IMOXAFBUPBKFDS-IBGZPJMESA-N	508.590	1.511	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O)cc1	1590742	AHTGHRYUTABCAE-MRXNPFEDSA-N	510.555	1.526	0	40	KDAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C(C)=O)C4)cc2)CC1	4177750	OFUOMPCCZVBZQB-UHFFFAOYSA-N	563.658	1.467	0	40	KDAB	
NS(=O)(=O)c1ccc(CCN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1	9434661	GBVZNZKBLCPDSC-GFOMBABLSA-N	505.936	1.331	0	40	KDAB	
Cc1cc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)n[nH]1	9599427	HJJUBRHXZRVRSK-UHFFFAOYSA-N	518.530	1.659	0	40	KDAB	
COC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(NC(=O)OC)cc3)CC2)cc1	12533265	UYYMUUIHIZMWGE-UHFFFAOYSA-N	512.566	1.738	0	40	KDAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c1	20485790	LASYZJHRMZAJCR-INIZCTEOSA-N	526.637	1.962	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	20611966	ZILUMCFGNWJGCM-OZLNXOMTSA-N	506.559	1.159	0	40	KDAB	biogenic
CC(C)CN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24752298	PXKJCGZYIKQCMN-UHFFFAOYSA-N	517.542	1.855	0	40	KDAB	
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CC[C@H](O)N4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	72131392	AHRNWGXNCFKOII-HCXKXQSCSA-N	599.688	1.400	0	40	KDAB	in-vitro
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccc(C)cc2)n1C	101575196	VOEBONRNAWTOGV-SMQFJCFBSA-N	564.617	1.451	0	40	KDAB	
CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	103507114	BAGALEQQJQOATL-JRBASJLZSA-N	578.644	1.934	0	40	KDAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222858205	BPTKJSZICLFMHD-JOCHJYFZSA-N	592.690	1.091	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	224330377	UQGMRDYLZQJOKF-UHFFFAOYSA-N	537.660	1.442	0	40	KDAB	
CCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	504238378	RIXAWIIOMSMOQB-PLFWLVBQSA-N	578.644	1.934	0	40	KDAB	biogenic
CC(=O)N1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	514287369	JWOUPXOTOBOWAM-JGDRUYDSSA-N	598.745	1.346	0	40	KDAB	
CC(=O)NCC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COCC(=O)N1C	643560975	RJPUIZMIHASFNF-QHCPKHFHSA-N	581.755	1.864	0	40	KDAB	
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	4177605	ICWOBLRWDHMGJE-NWDQVUITSA-N	571.675	1.462	0	40	KDAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1	13150546	YIKKQAYHDLDTLX-DEOSSOPVSA-N	516.620	1.670	0	40	KDAB	
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1OC	14157732	KYTGQPWQKFNPEF-XMMPIXPASA-N	516.576	1.894	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1	20112910	NPQREWVOCRVFGJ-MJGOQNOKSA-N	508.575	1.564	0	40	KDAB	biogenic
CC/C=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1	38141987	WVPAABNYMHNFJG-VNSAHOQDSA-N	567.646	1.358	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1OC	59838738	IXZNTXMQVYKFQZ-HXUWFJFHSA-N	567.686	1.442	0	40	KDAB	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	70664705	LYAGMCSCYXQWFA-DSNGMDLFSA-N	606.680	1.677	0	40	KDAB	
CN1CCc2nc(C(=O)N[C@@H]3C[C@H](C(=O)N(C)C)CC[C@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1	100140536	HGVDHZBSSITLCT-FRFSOERESA-N	548.069	1.290	0	40	KDAB	in-vitro
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1	223539573	CFPKITQUSFIBID-RUZDIDTESA-N	532.663	1.105	0	40	KDAB	
CC(=O)CO[C@@]1(COC(C)=O)[C@H]2[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)OC=C[C@H]2[C@H](OC(=O)c2ccc(OC(C)=O)cc2)[C@H]1OC(C)=O	250531605	TXTNFCNOFALFTO-CLQZUYMNSA-N	850.776	1.192	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389324	HRDMCVCODUFPBQ-JOSNVXACSA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643567201	URTQGPFYTMITTA-PUHATCMVSA-N	555.676	1.218	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6547073	FNVJFRPKRUSDPZ-FQEVSTJZSA-N	511.560	1.906	0	40	KDAB	
CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	15934918	GGUVKUXCPMYGGD-MRXNPFEDSA-N	501.584	1.978	0	40	KDAB	
NS(=O)(=O)c1ccc(N2C(=O)C[C@@]3(CSc4[nH]c(=O)sc4[C@@H]3c3ccccc3O)C2=O)cc1	32594748	AKQCJONANXRDRJ-KKSFZXQISA-N	503.583	1.977	0	40	KDAB	
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)CCN5C(=O)c6ccccc6C5=O)CC4)ncnc32)cc1	59522599	CDUKZBDFLCFWLW-UHFFFAOYSA-N	526.557	1.944	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Br)cc1	102100742	BTDWTBNKOJQMNB-GOSISDBHSA-N	532.395	1.156	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3C)n2C)c(N)n(Cc2ccccc2)c1=O	103071752	HWQPRDOHCFVDER-UHFFFAOYSA-N	534.598	1.892	0	40	KDAB	
C[C@H](Oc1ccc(NC(=O)OCCO)cc1)C(=O)OCCOC(=O)COc1ccc(NC(=O)OCCO)cc1	114672607	JYOCYSDCXKABNI-KRWDZBQOSA-N	550.517	1.701	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	169619700	MQTOSJVFKKJCRP-HHPLMPMZSA-N	748.996	1.901	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	224259341	GVLJJNCVVMTONF-UHFFFAOYSA-N	541.648	1.450	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1	226074590	DIOGKDVBRWHWAE-UHFFFAOYSA-N	511.622	1.960	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257659674	YFGQJKBUXPKSAW-PNZYRFCGSA-N	969.128	1.642	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565433	GKKPCLBUNDIUOK-URXFXBBRSA-N	512.582	1.665	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1OC	643567065	QRVXKUHBMCLSCX-JNHDWVHJSA-N	610.708	1.580	0	40	KDAB	
CC(=O)NCCCCN(CCCNC(C)=O)C(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12	5842945	RRGOVGGLPPWOIR-UHFFFAOYSA-N	519.668	1.455	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(C)cc3)NC(C)=O)CC2)cc1	13565606	LVOMFVWCLUFZQV-XMMPIXPASA-N	500.621	1.970	0	40	KDAB	
CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337546	LNRJZRXUGKFNJP-UHFFFAOYSA-N	509.032	1.405	0	40	KDAB	
COC(=O)[C@]1(Sc2ccccc2)C[C@H](OC(C)=O)[C@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	100511125	NPLKOUSSDBQHEN-PPSGPYSESA-N	583.612	1.300	0	40	KDAB	
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@@H](C)CC	253388435	VLOGACFISZMMCN-BPLOCEGISA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
O=S1(=O)NC[C@H](O)CN(Cc2cc(-c3ccccc3)no2)C[C@]2(COc3ccccc31)C[C@H](O)[C@H](O)C2	253408699	YNOTUOSSALTXQJ-AHMOOEFLSA-N	529.615	1.377	0	40	KDAB	
O=C(CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	257336750	YPVPSQYYPMVNNV-FGZHOGPDSA-N	503.577	1.622	0	40	KDAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)OC(C)(C)C=C4)cc1	1615811141	WNTBDGJNPGBIQF-BPLUFAGNSA-N	658.653	1.417	0	40	KDAB	biogenic
COc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	2361735	BTMUJFCUNKNLJE-INIZCTEOSA-N	511.560	1.603	0	40	KDAB	
CN(C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)[C@@H]1CCS(=O)(=O)C1	13138736	YIZHDKJXFLUTKR-OAHLLOKOSA-N	502.517	1.568	0	40	KDAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1	38145104	HWMAARFTNRYYBK-DEOSSOPVSA-N	546.646	1.679	0	40	KDAB	
CO[C@@H](C[C@H]1C(C)=CC[C@@H]2[C@]3(C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)c5cccc(O)c5)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@@H](O)C(C)(C)[C@H]3CC[C@]21C)[C@H](N)C(=O)O	169739924	SAZHWKBRJJLWKC-AWWLABOASA-N	893.037	1.350	0	40	KDAB	biogenic,in-vitro
COC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1OC	1436630	OVECOZGWFQYZJK-CWDSQJGSSA-N	508.552	1.177	0	40	KDAB	
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCC(C(=O)NCC(=O)NCC(=O)O)CC4)c(C)c3cc12	9046198	MLAXAEFANGKTGP-UHFFFAOYSA-N	525.558	1.953	0	40	KDAB	
COc1cccc(-n2nnc3c(N4CCN(S(=O)(=O)c5cc(OC)ccc5OC)CC4)ncnc32)c1	10256536	LDOBZQSQVVOBGV-UHFFFAOYSA-N	511.564	1.747	0	40	KDAB	
Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1S(=O)(=O)N1CCOCC1	13138554	HIAPYCYWONZCQM-RUZDIDTESA-N	512.588	1.738	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(F)c(F)c1)c(=O)n2Cc1ccccc1	103054388	MQBLBHBHDXFWNJ-UHFFFAOYSA-N	527.484	1.515	0	40	KDAB	
CC(=O)OCC(=O)Nc1c(I)c(C(=O)NC[C@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)NC[C@H](COC(C)=O)OC(C)=O)c1I	150650806	MUJGKJDSVJWBLH-IAGOWNOFSA-N	973.246	1.451	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224268070	FMNAFJWFXHFDGX-UHFFFAOYSA-N	555.675	1.094	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@@H](OC)[C@@]34[C@H]1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	253388524	IPWQJEONCUFCOR-JTVJPCCGSA-N	710.821	1.952	0	40	KDAB	
CCn1c(CCC(=O)N(C)[C@@H]2CCC[C@@H](n3cnc4c(=O)n(C)c(=O)n(C)c43)[C@@H]2O)nc2ccccc21	257293319	QOZOZHQJPIPVED-DNVFCKCGSA-N	507.595	1.349	0	40	KDAB	
O=S1(=O)CC[C@H](N(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)C1	575426491	ULTXLJGMLQTVFA-SZPZYZBQSA-N	650.782	1.754	0	40	KDAB	
COc1ccc(-c2cc(C(=O)N(CC(=O)O)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)nn2C)cc1	585268717	ONPGOSDMHUHFJJ-UHFFFAOYSA-N	528.587	1.844	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643565359	XKPBVZWMMBXNEN-KDSXSNECSA-N	542.608	1.937	0	40	KDAB	
O=C1N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)cc1	1772591613	IARVGFPVKNFORJ-SMPJQSMZSA-N	667.763	1.576	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H](C)[C@H]1OC(C)=O	5048982	MYVHPLAZTWAKDL-BESUSWOKSA-N	511.491	1.791	0	40	KDAB	
O=C(CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)N1CCNC1=O	12620485	RYXPFRANOSTCMC-UHFFFAOYSA-N	510.208	1.070	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc2oc(=O)sc2c1C	62725289	WSIIBQIRXPPYHU-KKKDIUQISA-N	511.505	1.198	0	40	KDAB	
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	70664703	LYAGMCSCYXQWFA-SDHSZQHLSA-N	606.680	1.677	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1	103092472	LMFBJMSGTPZHJP-UHFFFAOYSA-N	557.650	1.991	0	40	KDAB	
O=C(OC[C@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	150393776	LKYVQJCRMHFBND-DAMQTCOWSA-N	642.621	1.974	0	40	KDAB	
CCOCOC[C@@H](O)[C@@H](OCOCC)[C@H](OCOCC)[C@@H](OCOCC)[C@H](O)CP(=O)(OC)OC	198871897	SCLBCMCXPRADKK-XKRYSZRTSA-N	536.552	1.342	0	40	KDAB	
COc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1	224257777	RXZPPMBKKCOJMV-UHFFFAOYSA-N	513.638	1.687	0	40	KDAB	
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCC[C@H](O)[C@@H](C)N	253612035	TYKXJOPGAYUOGL-CUDJBZPHSA-N	507.709	1.722	0	40	KDAB	biogenic,in-vitro
CO[C@@H]1O[C@@H](OC(C)(C)[C@H]2O[C@]34C[C@@]5(C)[C@@H]6[C@@H](O)C[C@H]7C(C)(C)[C@@H](O[C@H]8OC[C@@H](O)[C@@H](O)[C@H]8O)CC[C@@]78C[C@@]68CC[C@]5(C)[C@H]3[C@H](C)C[C@H]2O4)[C@@H](O)[C@@H](O)[C@H]1O	257199111	SPEHTZJJRZONBU-ZQOWZSPMSA-N	782.965	1.557	0	40	KDAB	
CCOc1cc(C(=S)N2CCN(C)CC2)cc(I)c1OCC(=O)N1CCOCC1	409263272	INAFBOBALCGFST-UHFFFAOYSA-N	533.432	1.850	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccc(S(C)(=O)=O)cc4)NC3=O)O2)cn1	514287490	GCQKRZUOLHIDMW-RIDAGPSNSA-N	637.759	1.671	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCN(CCO)CC2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643584889	WOPHFEVUZNMTMI-CAOCKLPOSA-N	573.735	1.108	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	1565538047	IGDRBOZJSYPRRZ-YWMUFLPLSA-N	573.668	1.967	0	40	KDAB	biogenic
O=S(=O)(c1ccc(Oc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1	2184329	DJZAXFLXPAAFOV-UHFFFAOYSA-N	512.562	1.249	0	40	KDAB	
C[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	4018351	LKZCUOVBNNSUSB-PSWAGMNNSA-N	664.712	1.093	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1C	8684554	CJWNXTDUMNCRPG-QFIPXVFZSA-N	500.577	1.307	0	40	KDAB	aggregator
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccccc21	44885841	PZGYTLUWPJWZSI-LJQANCHMSA-N	503.562	1.833	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@@H]1CCS(=O)(=O)C1	96021875	YCLZYKMQJDGSNV-MRXNPFEDSA-N	532.999	1.760	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1CCS(=O)(=O)C1	103090879	PWFDIBRVWLZGAC-KRWDZBQOSA-N	524.573	1.061	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(N)n(Cc2ccccc2)c1=O	103100416	YCMTWRLMTWKABP-UHFFFAOYSA-N	521.860	1.785	0	40	KDAB	
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br	575424524	TVSKRCLRIQTBSZ-QWRGUYRKSA-N	520.221	1.402	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643567075	QVAHBYJWXNWHDG-DVKRWUGUSA-N	541.693	1.690	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582770	WQWZYEZDYVSHRT-ZEQRLZLVSA-N	564.687	1.691	0	40	KDAB	
O=C(O)CN(CC(=O)O)c1ccc(F)cc1OCCOc1cc(F)ccc1N(CC(=O)O)CC(=O)O	65356701	KOQKTVVVWVDJJY-UHFFFAOYSA-N	512.418	1.374	0	40	KDAB	
NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70705391	KDEWIWREJCPXOZ-KKUQBAQOSA-N	614.659	1.219	0	40	KDAB	biogenic
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O	96019881	JUWCDBFGUJUJHP-VWLOTQADSA-N	528.587	1.148	0	40	KDAB	
COc1ccc(C2=NO[C@H](CO[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1	100230687	IXGOAUDJFVQZQQ-YPXDDTONSA-N	537.518	1.288	0	40	KDAB	
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)cc1OC	101330028	KTDQPKYLJMTFSJ-UHFFFAOYSA-N	534.573	1.600	0	40	KDAB	
CN1CCc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1	114445513	HGVDHZBSSITLCT-LXZKKBNFSA-N	548.069	1.290	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC1=O	150344949	NZNSTOHSZZLSNP-SJOXEQLRSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253498796	YFGQJKBUXPKSAW-PNGRWRENSA-N	969.128	1.642	0	40	KDAB	biogenic
Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)CCCc4nc5ccccc5n4C)CC3)OC[C@]2(C)O)n(C)c1=O	257236574	HCUKIVWMOMAWFM-KMRXNPHXSA-N	563.659	1.417	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1OC	1436628	OVECOZGWFQYZJK-LJLZWOEMSA-N	508.552	1.177	0	40	KDAB	
CC[C@H](C)[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O	5351615	GNBHVMBELHWUIF-JDHBMAKCSA-N	593.766	1.316	0	40	KDAB	in-vitro
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O	6631983	POXCHDLYCJFKBU-NMQFWJSBSA-N	577.679	1.039	0	40	KDAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1	7058997	DOVNCQAEQONNMA-ZWOKBUDYSA-N	517.608	1.491	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	8834570	UXRGMYFQEBYUQU-SMQFJCFBSA-N	505.476	1.136	0	40	KDAB	
CCOc1ccccc1N1CCN(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1	12541354	KEXMRELEPDURAX-UHFFFAOYSA-N	500.644	1.985	0	40	KDAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(=O)[nH]c1=O	13005777	YZCWZINVLAIGFO-UHFFFAOYSA-N	534.683	1.548	0	40	KDAB	
C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccc(S(N)(=O)=O)cc1	38140805	YTKGDIUZCGAKAY-INIZCTEOSA-N	535.648	1.052	0	40	KDAB	
CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCC1	97940069	NBTJDPSAJZDMSX-ZJZGAYNASA-N	540.610	1.611	0	40	KDAB	
O=C(NC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2)NC12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2	101474039	UYGAOXYUDPSWIF-WBNZWKIISA-N	566.246	1.047	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1c(F)cccc1F)c(=O)n2Cc1ccccc1	103054383	PTNVLGZCAGYEQK-UHFFFAOYSA-N	527.484	1.515	0	40	KDAB	
CC1(C)O[C@@H]2[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(Br)cc5)nc43)O[C@@H](CO)[C@H]2O1	103184710	PELIPSXWAUNANX-BVNXPQQUSA-N	536.339	1.309	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389465	MIPXDZVPQOJPHM-LUXJJKLNSA-N	954.161	1.488	0	40	KDAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)CCN3CCOCC3)sc2N2CCOCC2)cc1	409418105	SWVBQHKDWMYDFQ-UHFFFAOYSA-N	501.652	1.227	0	40	KDAB	
COC(=O)[C@]1(Sc2ccccc2)C[C@@H]2OC(=O)N(C(C)=O)[C@@H]2[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	504535962	CVMYPHWPKCZUMN-MSKYMCIZSA-N	567.569	1.599	0	40	KDAB	
Cc1c(C)[n+]([O-])c([C@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)N(C)C(=O)N(C)C2=O)n1Cc1ccccc1	524733031	MXUOXVQQAQTYCF-JOCHJYFZSA-N	530.585	1.776	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N(C)CC1=O	643569215	NRGSTGGSVZUHPE-VWLOTQADSA-N	565.671	1.023	0	40	KDAB	
Cn1cc(CN2CCC3(CCOc4cc(-c5cccnc5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cn1	1548891126	XQZKGQPOBLESTE-RPWUZVMVSA-N	566.684	1.540	0	40	KDAB	
O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N[C@@H]1CCS(=O)(=O)C1	13120206	PJIPXYKWPXOIID-QPGLYAHGSA-N	504.586	1.298	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC1=O	150344957	NZNSTOHSZZLSNP-NHAYVRHCSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	238784810	ZTLZGWDERZVHNS-XFUYECNWSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
O=S1(=O)CC[C@H](NN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425388	YQTMFZOYXQAMSW-RYUDHWBXSA-N	566.315	1.081	0	40	KDAB	
CNCCCC[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)(C)C	644163950	GWKZRUKPMGSPQP-WWPLQOFTSA-N	721.944	1.883	0	40	KDAB	
Cc1cccc(OC[C@@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)c1	9291039	UPNPBXQPNPSPDZ-AZUAARDMSA-N	507.547	1.290	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@@H]2SC1	13640324	IUTVAJOSFKUTOP-GJCBIIGPSA-N	515.386	1.200	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1	20031836	QVSJBVWOACZFTH-UHFFFAOYSA-N	525.649	1.671	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)[C@@H]2SC1	22831405	YCEPAMYYBXSCCK-XOBRGWDASA-N	507.475	1.460	0	40	KDAB	
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCOCC1	23510917	JIMBEMLAECOCAK-UHFFFAOYSA-N	503.577	1.403	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C	32911031	IIVQFXXEDPCTDV-JTHBVZDNSA-N	517.604	1.446	0	40	KDAB	
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1	101356525	JFZKYJHXIAULCD-UHFFFAOYSA-N	544.524	1.232	0	40	KDAB	
COc1ccc([C@@H]2N[C@@H]2C(=O)c2ccccc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1	102324028	IOUUNJFANNRICA-GEIDWKMVSA-N	598.605	1.626	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C5CCCC5)CCN4C3=O)O2)cn1	253394466	BAYHMBKGJJBNQP-WVAUJHLCSA-N	537.661	1.963	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	254347247	BJNLCTXPPRPFFK-OMZCGLGVSA-N	517.940	1.676	0	40	KDAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	408548592	JGZYJYALCXFHHJ-ONNFQVAWSA-N	586.076	1.425	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643569035	PHBVPVLNHGPPFN-CONSDPRKSA-N	657.768	1.998	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)O[C@H](CO)[C@H](O)[C@@H]1O	1772592000	VWNXVBDTFXPNPS-LFIVZYMKSA-N	897.113	1.089	0	40	KDAB	
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(NC)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O	9574731	PCOXSOQWQVRJCH-RIECGXCRSA-N	852.946	1.246	0	40	KDAB	in-man
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)n1	20488862	WHBFSHJOGKGYIC-UHFFFAOYSA-N	519.561	1.719	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC[C@@H](CC(=O)OC)c4ccccc4)CC3)nc21	98006022	WNSYIADZHXFUOW-GOSISDBHSA-N	538.630	1.853	0	40	KDAB	
O=S1(=O)NC[C@H](O)CNC[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253404327	QYHCHOODBADZJF-NXWNEQKCSA-N	516.538	1.496	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	260886051	CRSJKKPEHVRUSD-GOSISDBHSA-N	525.649	1.829	0	40	KDAB	
O=C(CN1CCOCC1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577574	AXRLNWULGJWMPZ-LOSJGSFVSA-N	517.667	1.269	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C(C)C)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582473	ABQAJDWMZUWAHK-GOTSBHOMSA-N	529.682	1.500	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC[C@H]2COCCO2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643584607	HFHOFQAOOMUKSM-RNXOBYDBSA-N	580.682	1.455	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN(CCN)C(C)=O)c1	643585147	QWLLTIRMEVKRDY-UYGYGLPYSA-N	608.777	1.040	0	40	KDAB	
O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccc(O)cc1	1772591610	IARVGFPVKNFORJ-MTJHJEBASA-N	667.763	1.576	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N	6905080	KYHKZHKPLQPLOJ-FQEVSTJZSA-N	513.576	1.685	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)n1	12360918	YJFXWDRYGIOGBL-UHFFFAOYSA-N	501.546	1.759	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1	20032020	XZSHYOZBSMIQST-IBGZPJMESA-N	509.650	1.971	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1	22609725	RNJFGHRTIJPHLY-QFIPXVFZSA-N	513.570	1.321	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1	24773071	JLYMUPZLFRULKS-UHFFFAOYSA-N	524.592	1.203	0	40	KDAB	
COc1ccc(OC(=S)N[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	35183253	ZLUXQKPMUHNNTK-HGJUEJDCSA-N	513.521	1.032	0	40	KDAB	
C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	70700422	ZTBDGQURRSKMPS-NWVWQQAFSA-N	528.565	1.790	0	40	KDAB	biogenic
CC(=O)O[C@H]1C(=O)OC[C@@]23CC[C@@]4(C)O[C@@H]4[C@@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/C(=O)OCC[C@H]1C)[C@]3(C)[C@@]21CO1	100623169	JDFKYDYICWYZMF-SCPNYXGNSA-N	560.596	1.953	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(OC)cc1	100685758	MKQSVMZJYBKMOG-MEPUESOJSA-N	536.606	1.957	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	102959368	CHZHDMOARHFOIS-IDIAMYQHSA-N	547.680	1.567	0	40	KDAB	
COCCCNC(=O)[C@@H]1CCC(=O)NC2(CCCC2)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643578764	PRGOSRXPLFHFRY-LEWJYISDSA-N	516.639	1.680	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C	1534690835	LTJZMSTVPKBWKB-MEQHQPHGSA-N	801.024	1.120	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccncc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548888923	CWUMRZIFNHFKQV-VWNXMTODSA-N	584.674	1.679	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	13022937	MZNLJFBCHSUSKI-UHFFFAOYSA-N	511.597	1.886	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	103553199	VJJPUSNTGOMMGY-QJEGDUIFSA-N	588.562	1.339	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226082510	VEUJGCPXCUBCKM-UHFFFAOYSA-N	572.105	1.883	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	253500649	GZNCPAASLBFTKY-CPWRORPMSA-N	810.975	1.379	0	40	KDAB	biogenic,in-vitro
CO[C@@H]1C[C@]2(O)[C@@H]3C[C@@H]4[C@@]5(CC(=O)c6ccccc6NC(C)=O)CC[C@@H](OC)[C@@]4([C@@H]4C[C@@]1(O)[C@@H](OC)[C@@]42O)[C@@H]3N(C)C5	255962848	APSFXRUTRLTKQA-COVKFVBMSA-N	584.710	1.610	0	40	KDAB	in-vitro
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	299817794	TUFDSEMWRYIOBO-KWFIOOPJSA-N	799.008	1.328	0	40	KDAB	biogenic,in-vitro
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N=c2cc[nH]cc2)ccc1OC(C)=O	409383196	SHTQLGLPIRJAKC-RPBOFIJWSA-N	610.528	1.846	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(O)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582502	DAXPBLSJLCJCEJ-RPWUZVMVSA-N	536.629	1.127	0	40	KDAB	
CCOC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C	1857780960	RHLFXCYBIJAHDD-VWLOTQADSA-N	655.742	1.265	0	40	KDAB	
CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)Cc1cc(=O)n2ccsc2n1	12529061	RDVCXYJTSNZNNU-UHFFFAOYSA-N	512.013	1.501	0	40	KDAB	
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)C2)cc1	13564524	YAWJSIYRXGJTAP-SFHVURJKSA-N	508.560	1.918	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1O	253504176	AYWNHWGQTMCQIV-NXCGHDIDSA-N	827.018	1.295	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)C(=O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	253597603	MJRBQYVTTDHVQN-ZPAIYFQGSA-N	808.959	1.445	0	40	KDAB	biogenic,in-vitro
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	409262195	FSQQYVKZRAGJRB-XMMPIXPASA-N	601.659	1.962	0	40	KDAB	
Nc1ncccc1C(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577787	GADLYCZSFCLTMB-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@H](CC(C)C)C(=O)O	644163970	TZCYVPLNMOJUIL-LZUQPTPQSA-N	746.995	1.100	0	40	KDAB	
C[C@@H](NC(=O)C(C)(C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	6005094	ASQGMHZTUYEPCB-YLJYHZDGSA-N	512.563	1.300	0	40	KDAB	
CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1=O	8693995	MCRZHTWHFKJTJJ-UHFFFAOYSA-N	514.988	1.717	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2c(OCC)ccc3ccccc23)c(=O)n1CC(=O)NC[C@H]1CCCO1	13479313	VFHQHZJAIDQTMV-DGCVXVHMSA-N	510.612	1.929	0	40	KDAB	
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103007051	GACLMLBTPDMNJM-UHFFFAOYSA-N	587.518	1.415	0	40	KDAB	
C[C@]12[C@H](CC[C@]3(C)[C@@H]1C=C[C@]14C[C@@]13CC[C@@]1(C(=O)O)[C@@H](O)C[C@](C)(CO)C[C@H]14)[C@](C)(CO)[C@@H](O)[C@H](O)[C@@H]2O	253389367	IXIMDUAPYHOVHL-UXOCTUJVSA-N	534.690	1.701	0	40	KDAB	biogenic,in-vitro
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1	643568805	GHMXZBUSPBSOML-CIUYQIQHSA-N	614.769	1.622	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643569247	QBPNWDGKCBJFGF-LITSAYRRSA-N	593.725	1.705	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)cc1OC	19907257	WSFFZISWFTVUEH-MOPGFXCFSA-N	508.575	1.564	0	40	KDAB	
Cn1c(O)c(C[C@H]2c3cc(Cc4ccccc4Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	102471321	IVLVJMMNXQCLQM-KRWDZBQOSA-N	536.972	1.912	0	40	KDAB	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cccc(I)c3)c2)CC1	103054982	DEURYDZHDHESFL-UHFFFAOYSA-N	571.393	1.940	0	40	KDAB	
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	150351221	HMTFXPJOBPIOIN-DKBYMCRTSA-N	952.996	1.908	0	40	KDAB	in-vitro
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	2040555671	YFGQJKBUXPKSAW-UCIHFOROSA-N	969.128	1.642	0	40	KDAB	biogenic
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	11025529	CPJHMGWOCTVJJI-FQEVSTJZSA-N	535.420	1.753	0	40	KDAB	
COc1ccc(OC)c(CN2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CC2)c1	13109486	GLSRYZYCVJDSSN-UHFFFAOYSA-N	503.621	1.991	0	40	KDAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(OC)c1	20237101	LKPRZZDUSGPTIY-UHFFFAOYSA-N	513.594	1.129	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(OC)c3)CC2)cc1	59816435	PBBNPWBYHQWMHJ-XMMPIXPASA-N	537.617	1.350	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253498797	YFGQJKBUXPKSAW-YSRFFMDESA-N	969.128	1.642	0	40	KDAB	biogenic
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H]5[C@H](O[C@@]6(CC[C@@H](C)CN6)[C@@H]5C)C(=O)[C@H]43)C2)[C@@H](O)[C@H](O)[C@H]1O	253532279	RBCXKPQLDXSOQW-CYPVFLOYSA-N	737.928	1.222	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4ccc(O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]5O)cc4OC(C)(C)[C@H]3C[C@@H]2C1	257264030	LSOLGNNSFXNZMI-BNAJHRTDSA-N	551.633	1.740	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643565640	LDYZDVFUCZQLSH-RZFJZAQRSA-N	579.698	1.450	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643568640	BGUWOCCJGIWBGG-UIOOFZCWSA-N	563.699	1.746	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	17546271	RZDCYHMHWHWECB-UHFFFAOYSA-N	578.713	1.971	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC	20005587	BDYSLSOEQPSQMU-FQEVSTJZSA-N	519.601	1.880	0	40	KDAB	
NS(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1	25424450	PXXCRFCPHDCUDR-UHFFFAOYSA-N	517.633	1.497	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	35804847	BWOSPXZFPDQYRC-FKRWJQPVSA-N	526.977	1.504	0	40	KDAB	biogenic
COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1	46085978	MYRCKBKJEXNRPM-LJQANCHMSA-N	515.563	1.239	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5cccnc5)CCN4C3=O)O2)cn1	253408624	YJPDGGCUOSVSIN-QMMWJRKVSA-N	560.655	1.616	0	40	KDAB	
Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)ccc2n1C	257220700	DLTOLHCLTILPFN-FQRUVTKNSA-N	535.605	1.016	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643572570	DXDARMIYRHAUQS-IUGBQFMMSA-N	625.723	1.312	0	40	KDAB	
COc1cc2c(cc1OC)-c1c(cnn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)CC2	5410412	CZORZRFQLNOLAY-LZPKFASSSA-N	560.556	1.922	0	40	KDAB	
COC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2	12539201	YQUAFLPKIZYFEZ-UHFFFAOYSA-N	508.574	1.840	0	40	KDAB	
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](CC(N)=O)C(=O)O	13591304	ZLJVGMIKODMOQL-VQTJNVASSA-N	532.638	1.931	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)c1	38784372	MSPWRBWKFJNDSG-XMMPIXPASA-N	522.606	1.131	0	40	KDAB	
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851995	JAPBGGSPXXFSEH-UHFFFAOYSA-N	539.676	1.645	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1	96019712	VJGPBFHIPLDUHV-QHCPKHFHSA-N	552.606	1.419	0	40	KDAB	
CNC(=S)N(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O	101534054	FZBUTPBYQMMWIV-MRXNPFEDSA-N	558.423	1.577	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224451271	FNQOMLYPFVKKMH-KRWDZBQOSA-N	546.067	1.711	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)C(N)=C(C)[C@@H](O)[C@@]1(C)O	253623263	IEEOVDVBJXYXAJ-WWQQWYDHSA-N	732.953	1.813	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	257619568	XERVTTUAMKCJIM-PCUHCOIGSA-N	740.928	1.442	0	40	KDAB	endogenous,in-man
CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](OC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	306122069	PEDLHTCZTNWMIO-AULJHSENSA-N	945.877	1.615	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	643568382	QXGKNPUYGUDXMU-JYFHCDHNSA-N	611.715	1.952	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccco1	1831746	HNHVWECGZJUEIE-BSKAQADGSA-N	524.576	1.995	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc(N(C)C)cc4)CO[C@H]23)cc1	4147563	WOGUXLHGUAGGLA-FNAHDJPLSA-N	513.580	1.050	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	8791124	CRPZVVUZNMTOHE-INPPHVCUSA-N	507.543	1.840	0	40	KDAB	biogenic
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	59816411	VVNIVZCOTFBJOA-QHCPKHFHSA-N	542.036	1.995	0	40	KDAB	
O=C(COC(=O)c1ccc(I)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103074272	UTOJTPMEAUOCHF-UHFFFAOYSA-N	615.446	1.944	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1	103634483	HNHVWECGZJUEIE-YWXUCKCNSA-N	524.576	1.995	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	224500276	DVDJRZDMVUAHJK-OAQYLSRUSA-N	551.687	1.612	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccncc4)C[C@H]3C(=O)NC[C@H]1O2	514287653	VYWMWBWPCZKPKO-GEMTWJNPSA-N	521.618	1.359	0	40	KDAB	
CC(C)Cc1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3OC(=O)C3=CC[C@@H](C(C)(C)O)CC3)c2o1	1772591282	RCOKBEQNXSUVDZ-FTUABIRGSA-N	562.612	1.966	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(=O)[nH]c1=O	23078397	FBTMUBLCLYOOPW-UHFFFAOYSA-N	521.640	1.633	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)CNC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24765623	NDUPBRLPDKINPO-UHFFFAOYSA-N	513.576	1.191	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC	95611937	NTSBFTNRWQVBCA-IVGDYKFASA-N	795.939	1.125	0	40	KDAB	
C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	102975771	TYCXHFUJWUJKEE-GFCCVEGCSA-N	554.503	1.914	0	40	KDAB	
CC[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	163996603	CXIREXDXJKLCIO-HNRBIFIRSA-N	648.713	1.857	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	245190515	MQTOSJVFKKJCRP-XOOJDODXSA-N	748.996	1.901	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575244	ADAMIMPYIJHAMV-NGDRWEMDSA-N	662.832	1.934	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC[C@H]2COCCO2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643585214	SWHLNVLNCPHZNT-URORMMCBSA-N	594.709	1.845	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	1772591104	GLURPOUSKHAUSS-CBJOUEEWSA-N	796.992	1.853	0	40	KDAB	
O=C(CSc1ncccc1C(=O)O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	3885967	WWLNOLHDYUJMEB-UHFFFAOYSA-N	522.605	1.368	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)o2)c1	12530155	DVQDSAGFIYAGQF-HNNXBMFYSA-N	502.640	1.505	0	40	KDAB	
C=C(Oc1cc(C(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O	67903643	QPTBIDGWTVNLQQ-MRLUPLGUSA-N	656.553	1.154	0	40	KDAB	biogenic,in-vitro
CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1	70712121	KTNMCEHJGUQNFK-GJTYKATRSA-N	534.591	1.713	0	40	KDAB	biogenic
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)sc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12	94313215	PCIAOPAUTIPRHI-SLTHDDBBSA-N	825.842	1.206	0	40	KDAB	in-vitro
CC(=O)OC[C@]12[C@@H](O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118931966	KESMJXVKHKQATP-KWPPXXFXSA-N	564.628	1.346	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCCO2	215991584	DKYFMABTWFGZHL-UHFFFAOYSA-N	533.588	1.843	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2CC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568327	YNCNMRNXVZLFQX-JJTGBXKASA-N	520.630	1.962	0	40	KDAB	
CC(C)CCN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889597	HTYGFAVBOPUOCE-PKTZIBPZSA-N	550.722	1.427	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(OC)cc1	2350574	MKQSVMZJYBKMOG-WOHXKIKESA-N	536.606	1.957	0	40	KDAB	
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1	12855115	TWVREKSGKQQWTO-QFIPXVFZSA-N	521.599	1.712	0	40	KDAB	
COCCN(C(=O)COC(=O)CCc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12908403	JGTLOLBEHUDQJN-UHFFFAOYSA-N	510.547	1.331	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCC(=O)N(C)CCO)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1	95117014	SZCGVMKFVZSVBP-UHFFFAOYSA-N	520.029	1.293	0	40	KDAB	
Cc1ccccc1-n1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103125692	CZUNGFZSGJPJNC-UHFFFAOYSA-N	559.674	1.559	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1	260714341	CFPKITQUSFIBID-VWLOTQADSA-N	532.663	1.105	0	40	KDAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1OC	409193936	IGGHPFXWKUJRLS-UHFFFAOYSA-N	505.593	1.328	0	40	KDAB	
CC(C)Cc1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3OC(=O)C3=CC[C@H](C(C)(C)O)CC3)c2o1	1772591283	RCOKBEQNXSUVDZ-PZVLFYKJSA-N	562.612	1.966	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3977873	VJJPUSNTGOMMGY-HVGXLMFGSA-N	588.562	1.339	0	40	KDAB	in-man
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1	8918036	XWAQICCXHSLJBL-OALUTQOASA-N	504.584	1.196	0	40	KDAB	biogenic
COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224289579	PVXNZRNBUAVOHJ-UHFFFAOYSA-N	541.648	1.450	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	224307145	ZAPQTPYCVZYLRE-UHFFFAOYSA-N	558.078	1.954	0	40	KDAB	
O=C1NC[C@]2(CCCN(CC(=O)N3CCC[C@@]4(CNC(=O)c5ccccc5O4)C3)C2)Oc2ccccc21	247797944	DKANJWMSQZTVQP-WUFINQPMSA-N	504.587	1.827	0	40	KDAB	
CC(=O)OC[C@@H](O)[C@@]1(C)C=C2CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@]3(C)[C@H]2CC1	1078028285	ITRHSIFUIWDEGO-OPYDKHGUSA-N	526.667	1.675	0	40	KDAB	biogenic
CC(=O)N[C@@H](CCCCN)C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037829054	IFBGHSMFHNJNAK-UNFRKHOWSA-N	581.758	1.828	0	40	KDAB	
Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1	2037879942	YFWQPRRAAWETOT-MHZLTWQESA-N	508.623	1.943	0	40	KDAB	
C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	2061000232	KRQDMAXNTWLTDZ-ILBZAYEHSA-N	721.929	1.963	0	40	KDAB	
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	3430960	ZYKKDSQFVNNTCY-IBGZPJMESA-N	505.574	1.692	0	40	KDAB	
CSCC(=O)N1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1C(=O)N[C@@H](Cc1cccs1)C(N)=O	4200851	BKJJGXNNGFMHTO-KKXDTOCCSA-N	525.603	1.693	0	40	KDAB	biogenic,in-vitro
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)C2=O)cc1	8692556	RMRVINBUXNAPJW-DEOSSOPVSA-N	500.577	1.730	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1OC	20030676	IEXHYBGEQNBHEF-UHFFFAOYSA-N	525.649	1.991	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(=O)[nH]c1=O	103024702	DWCYDFGGPJIYFH-IRXDYDNUSA-N	537.639	1.010	0	40	KDAB	
COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC1=N[C@@H]2[C@H](C(=O)N(C)C(=O)N2C)N1C	223058984	SOWAOHYNVMQDIF-FRKBIFFFSA-N	518.555	1.364	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	224460451	GHGOJHUSCQXFMY-UHFFFAOYSA-N	574.077	1.191	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	224500016	PTYRXJGYXIBDIO-UHFFFAOYSA-N	555.650	1.443	0	40	KDAB	
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]3[C@H](O)[C@@H](O)[C@]3(C)[C@@H]([C@@H](C)O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1	575448253	ITPJPPQJMRCTTO-FIXSZHRFSA-N	815.007	1.940	0	40	KDAB	biogenic
O=C1C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643580440	JPVOLASFPUDIAW-ZDCRTTOTSA-N	706.800	1.988	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CCCCOC[C@H](O)[C@@H]1O	643584571	DMANTMSLXKGWHU-LSQMVHIFSA-N	552.669	1.976	0	40	KDAB	
Cc1ccccc1CN1CCC2(CCOc3cc(-c4ncnn4C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888903	BOWVRZFTCKLIAB-RPWUZVMVSA-N	580.711	1.848	0	40	KDAB	
CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3csnn3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548889066	FXYXWHSIXHQNHS-UXHICEINSA-N	535.692	1.719	0	40	KDAB	
CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3cnn(C)c3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548889481	HBXTWFICBAVYRB-YADHBBJMSA-N	531.679	1.601	0	40	KDAB	
COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC	13133659	KTTYXLKTJPYJEF-RHSMWYFYSA-N	519.576	1.461	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	59838319	KIVUKKSLCYBOCI-VWLOTQADSA-N	603.719	1.931	0	40	KDAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	59923709	BAERABDDSNRONQ-HNNXBMFYSA-N	533.588	1.842	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@@]5(C)C(=O)[C@@H](O)[C@H]3[C@@H]2[C@]45O)O[C@@H](C)[C@H]1O	119174102	XYPIGUUTGMMFPH-SYPWQUBLSA-N	562.656	1.276	0	40	KDAB	
O=C1c2c(cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2O)O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@@H]2c1ccc(O)cc1	253388338	MYIUHDZRMLFLNJ-IUYTYLNFSA-N	704.637	1.371	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](CN3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@H]2OC(C)=O	253393392	POYYGIAOXNFMAN-KMARWIFPSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@@H]23)[C@@H]14	253492315	PHDZNMWTZQPAEW-VQUBPCMTSA-N	629.747	1.677	0	40	KDAB	biogenic
CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@]25C[C@H](OC)[C@H]2C[C@]3(O)[C@H]5[C@@H]2OC)[C@@H]14	253590238	DTTPWCNKTMQMTE-FTGINFJWSA-N	507.624	1.350	0	40	KDAB	biogenic,in-vitro
C[C@]1(O)CC2(CCN(C(=O)c3cccc(OCCCN)c3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257230000	GAHSCJGABQHZCU-CVDCTZTESA-N	551.438	1.826	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643565679	HDYRXNFWSDQECC-UIOOFZCWSA-N	600.672	1.884	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)c(OC)c1	10315267	DZJGUSIVNBTKPO-UHFFFAOYSA-N	526.637	1.962	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	20031249	HQMQNRSETMNWBA-UHFFFAOYSA-N	513.613	1.946	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(C)c(C)c2)cc1	100229950	JIBUTEYDQPLIEH-JOCHJYFZSA-N	551.503	1.789	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1	100277760	TZKMHXKIKPDREE-GBXCKJPGSA-N	557.677	1.890	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@@H]2SC1	101647146	JVEJCSQMNQSWSK-PXAZEXFGSA-N	522.889	1.734	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	169724074	XOEUHCONYHZURQ-MFIDXCOJSA-N	751.927	1.878	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257659670	YFGQJKBUXPKSAW-CCWZYEGRSA-N	969.128	1.642	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643566552	UGHMNIXASVIKDA-KYFHRZRWSA-N	563.699	1.742	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643574614	DRRPSQMRNRNBPJ-AWRGLXIESA-N	538.601	1.027	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@@H]3[C@@H](C[C@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]43C)[C@@]3(C)C[C@@H](C)[C@H](O)C(C)(C)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O	1857787603	ODVSKBPWRRQPNN-ZJAHKKKHSA-N	801.024	1.215	0	40	KDAB	
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	12539508	LNNFOEOMMUIRDX-UNOMPAQXSA-N	518.573	1.374	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)[C@H]2SC1	22831420	YCEPAMYYBXSCCK-JLTOFOAXSA-N	507.475	1.460	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O	23077943	VPCOAMUZYOVUBM-UHFFFAOYSA-N	525.603	1.382	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)[C@@H]1O	585672948	SMZYCXAYGPGYRS-FMBHIXJHSA-N	827.018	1.295	0	40	KDAB	biogenic
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643565797	NVVOBPQBIDWKPD-HIGZBPRKSA-N	541.693	1.690	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575977	ATSJCUCBJXJPKE-NSOVKSMOSA-N	648.805	1.688	0	40	KDAB	
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(C)=O)([C@@H](O)[C@H]6OC)[C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2	1857787594	FIDOCHXHMJHKRW-IZKHZICHSA-N	615.720	1.287	0	40	KDAB	
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](Nc2ncnc3[nH]cnc23)O[C@@H]1[C@H](O)CO	4758202	YBZRLMLGUBIIDN-NCVJBWQASA-N	621.780	1.503	0	40	KDAB	biogenic,in-vitro
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	12561795	LASKRDXFTHYSJH-UHFFFAOYSA-N	523.633	1.900	0	40	KDAB	
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032446	RHPFQYUSRAHECR-UHFFFAOYSA-N	525.649	1.337	0	40	KDAB	
O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	504413358	HDBMUOUNOGEIDP-UTVCDAKHSA-N	526.416	1.429	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CNC[C@H](Cc2ccccc2)N(C)C)CCCCOC[C@@H](O)[C@H]1O	643586734	ZXACIKVJHGXCAC-STSTVOBVSA-N	578.795	1.388	0	40	KDAB	
CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCCCN)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1	1848437605	KXBDGFHJRVQRSK-UHFFFAOYSA-N	642.883	1.088	0	40	KDAB	in-vitro
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(C(=O)OCC)[C@@H]1c1ccccc1OC	2350737	SCVGHENONNNIEU-WOHXKIKESA-N	536.606	1.957	0	40	KDAB	
Cc1nnsc1C(=O)N[C@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)N[C@@H](Cc2cccs2)C(N)=O)C1	4221661	JRDWYOJJICVTTE-BPUTZDHNSA-N	516.605	1.117	0	40	KDAB	biogenic,in-vitro
COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1	20084086	OVINXAUJLHYGKD-JOCHJYFZSA-N	523.550	1.319	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1	38784305	KOLGZFVDQOTLPL-HSZRJFAPSA-N	525.581	1.480	0	40	KDAB	
COc1ccccc1N(C[C@H](O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)S(=O)(=O)c1ccccc1	71283671	IMZIMBDEFBHUCM-NHCUHLMSSA-N	523.677	1.056	0	40	KDAB	
COc1ccccc1N1C[C@@H](C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1=O	103038464	KSFZDQGCEFIPMK-SFHVURJKSA-N	542.637	1.284	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224306801	WMKSMGZTJQXKSB-UHFFFAOYSA-N	537.660	1.609	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1O	253504180	AYWNHWGQTMCQIV-WOPLQLLGSA-N	827.018	1.295	0	40	KDAB	
O=C(CN1CCCCCCOc2ccccc2N(CC(=O)NCCS(=O)(=O)N2CCCC2)c2cncc(c2)C1=O)NCCS(=O)(=O)N1CCCC1	643584588	GECMHWMDNPGAOK-UHFFFAOYSA-N	747.941	1.698	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN(C)Cc2ccc(F)cc2)CCCCOC[C@@H](O)[C@H]1O	643586671	MQCSRLAGQJTYKM-IYUNARRTSA-N	539.689	1.897	0	40	KDAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)cc2)C[C@@H](C)O1	3166611	NUODVIXVCLSMSJ-CHWSQXEVSA-N	510.619	1.994	0	40	KDAB	
Cn1/c(=N\NC(=S)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc21	3292953	VRDHGLKHQQICCG-YYDJUVGSSA-N	519.674	1.700	0	40	KDAB	
Cn1cccc1C(=O)N1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	4200869	LYDBQEAGPVQGGA-ZWSUVBHBSA-N	547.660	1.934	0	40	KDAB	biogenic,in-vitro
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	16033757	VRFOWJNWBITJLS-SDMYACPNSA-N	510.934	1.610	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@H]2[C@@H](C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@]12C	85341028	OODLPYNTTOEQHX-BHTBUMRWSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277279	TXBZVZJTIGDVTH-YWEHKCAJSA-N	611.675	1.694	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	224423545	HCTLTSOTNCAYRZ-UHFFFAOYSA-N	525.649	1.686	0	40	KDAB	
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)[nH]c2c1	257221664	DQAOBTNOPGFXJL-IQGLISFBSA-N	535.609	1.466	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1	585271818	CWSYIRMVWQAMIG-MUUNZHRXSA-N	558.607	1.247	0	40	KDAB	
CN(C)CCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643567134	SKLHNLGZPLJWRG-ZEQRLZLVSA-N	537.661	1.259	0	40	KDAB	
Cc1cc(=O)c(O)c(C2(CC(=O)NCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)CCOCC2)o1	1547139001	YIBYUMDLSWQFBQ-MOPGFXCFSA-N	511.575	1.406	0	40	KDAB	biogenic
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	2037916291	YMHQGMCWSJCVQC-OYDLWJJNSA-N	552.628	1.096	0	40	KDAB	
O=C(OCCOCCOC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1	15321226	CDOATARPCSZGAD-UHFFFAOYSA-N	504.451	1.576	0	40	KDAB	
CC1(C)[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@H]1CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O	16577273	QTJLKUZRKQGTQP-VOJFVSQTSA-N	504.503	1.812	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(Cl)c1	19818626	YAJHLSPSJKRLQA-NRFANRHFSA-N	528.009	1.542	0	40	KDAB	
CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3OC)CC2)cc1	19818690	GKBFUGQDFKJWJU-HSZRJFAPSA-N	509.607	1.572	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(CCOc4ccccc4)CC3)CC2)cc1OC	44980813	KANQKLVUAFHXLK-UHFFFAOYSA-N	532.663	1.233	0	40	KDAB	
CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)s1	97990822	CCVNCOCKQAWCJB-UHFFFAOYSA-N	552.612	1.982	0	40	KDAB	
CCn1c(S[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1	103505591	KTNMCEHJGUQNFK-OZOVBHBASA-N	534.591	1.713	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	225494976	RSTDIEHSHLKDOH-UHFFFAOYSA-N	523.633	1.756	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@@H](CO)[C@H](O)C(=O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	253597600	MJRBQYVTTDHVQN-FRHUQUCSSA-N	808.959	1.445	0	40	KDAB	biogenic,in-vitro
CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H]([C@](C)(O)[C@H](O)CC)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H]2C)C[C@]1(C)OC	255980532	JEBMHQVCOAWRCT-IJTOYWAISA-N	806.092	1.928	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643571462	AYBMMBYWXRZODH-KCHLEUMXSA-N	607.752	1.617	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582736	VSWIMNYXYVHROG-FTJBHMTQSA-N	599.692	1.282	0	40	KDAB	
O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CC1)CC2	1548890313	OGRVMAUWJDTMCM-PKTZIBPZSA-N	533.691	1.848	0	40	KDAB	
COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccc5c(c4)OCO5)CO[C@H]23)cc(OC)c1	4147937	XFJSVUOELXJWOH-ZCLUNYJNSA-N	512.548	1.780	0	40	KDAB	biogenic,in-vitro
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N	6904971	KYHKZHKPLQPLOJ-HXUWFJFHSA-N	513.576	1.685	0	40	KDAB	
COc1cc(/C=C\C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC	12163142	JZDMSTPIYIFOOK-HJWRWDBZSA-N	504.609	1.779	0	40	KDAB	
COCCN(C(=O)COC(=O)CCc1ccccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12921650	VITNSUXBRCUNAS-UHFFFAOYSA-N	510.547	1.331	0	40	KDAB	
CO[S@](=O)(=S)CCNC(=O)[C@@H](CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	72131088	WWCPISCDFZLLAA-PTLVUQQDSA-N	743.012	1.989	0	40	KDAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	98006322	KOHRSPITWOPBEG-PCGHUGMXSA-N	553.413	1.647	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876671	SYWHYMMZUMALRL-WTXFQSTBSA-N	582.682	1.062	0	40	KDAB	
COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O	101174955	IHWRBHBKLZOBIG-BGMNCYOWSA-N	518.569	1.717	0	40	KDAB	
COC(=O)c1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	102908500	FYIKMBUXHGJFGA-DEOSSOPVSA-N	569.684	1.966	0	40	KDAB	
CCCn1c(N)c(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)n(C)c1=O	103085772	QSBUGDAAVJYCPH-UHFFFAOYSA-N	561.016	1.984	0	40	KDAB	
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)c1	225845299	PLTDJMSNMGZMKA-UHFFFAOYSA-N	523.618	1.921	0	40	KDAB	
Cc1ccccc1CCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643562522	PAQJFTRGJKTFEI-GOTSBHOMSA-N	508.619	1.882	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCN(C)C1=O	643566526	ZKRSLHQQECVESL-JYRKZWEQSA-N	502.612	1.193	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2ccncc2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913334	RKDGDWAWYSLXIQ-KUZKVMKQSA-N	541.711	1.439	0	40	KDAB	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C[C@]12C	2054340349	FNIRVWPHRMMRQI-XRWDHHMOSA-N	770.998	1.759	0	40	KDAB	
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1	4019801	BUMMAURHKQVEMG-UHFFFAOYSA-N	503.603	1.879	0	40	KDAB	
COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1	12538262	CCEMMOYCKPPUQT-HXUWFJFHSA-N	523.633	1.898	0	40	KDAB	
NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1	12634629	GJYLNMWIXOYGOV-IBGZPJMESA-N	524.983	1.642	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccco2)CC1)OCO3	20084325	PAWHLWBDRDWWJJ-NTKDMRAZSA-N	519.562	1.923	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1	24843255	OTJUHBJNTJCORE-UHFFFAOYSA-N	502.574	1.845	0	40	KDAB	
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1	49792015	FIDOCHXHMJHKRW-FBYRGYIKSA-N	615.720	1.287	0	40	KDAB	biogenic,in-vitro
CC(C)c1nc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)ccc2[nH]1	257296713	REAWFZFSBIQLDY-DCFHFQCYSA-N	549.632	1.821	0	40	KDAB	
Cc1nc2cc(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)ccc2[nH]1	257303765	SIPVHMTZLVGJFD-DFBJGRDBSA-N	519.610	1.882	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	408845015	XPJFVUIVNUZHBO-AREMUKBSSA-N	634.758	1.410	0	40	KDAB	
Cc1nc(=O)c2c(C)c(C(=O)N3CCC4(CCCCOCCNC(=O)[C@H](C)NC4=O)CC3)sc2[nH]1	643564116	KWIGMCSMIXXKEJ-HNNXBMFYSA-N	503.625	1.645	0	40	KDAB	
COCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1	6904781	OWVAPOIZUKZMHE-IBGZPJMESA-N	535.623	1.739	0	40	KDAB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	20237332	FHJIZHJJOBIDCE-UHFFFAOYSA-N	518.013	1.774	0	40	KDAB	
CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	20676801	DUJOILKKLDPXMF-HSZRJFAPSA-N	521.618	1.451	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccccc1	84705226	PHASMOUKYDUAOZ-YNOWHOKFSA-N	629.747	1.677	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C(=O)OC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1	97968577	SKTFMJGARNAKHS-SSUIOBEFSA-N	578.599	1.123	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N(C)CC1=O	643570614	LAKFSWJGDMKACY-DEOSSOPVSA-N	568.646	1.878	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CCC(=O)NCCC(=O)N1	643571577	GLDZPGIEIGJJNF-VXKWHMMOSA-N	509.607	1.359	0	40	KDAB	
CO[C@@H](C[C@H]1C(C)=CC[C@@H]2[C@]3(C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](OC(=O)c5cccc(O)c5)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C)[C@H](N)C(=O)O	1775964106	SAZHWKBRJJLWKC-VEBRBKFESA-N	893.037	1.350	0	40	KDAB	biogenic,in-vitro
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1C(F)(F)F	3814831	ZHVNNTSMRZRPNO-GFCCVEGCSA-N	522.444	1.287	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	12870720	RTAOKZRPPKHAFZ-FMIVXFBMSA-N	503.577	1.851	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32667907	BXTVEMLUAKPOAP-UHFFFAOYSA-N	521.530	1.307	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O	72186778	LIQODXNTTZAGID-ZNSFQJNCSA-N	668.541	1.105	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C)[C@@H]2SC1	97948174	HVCYMXSWVDGCQW-WBMJQRKESA-N	555.329	1.665	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OP(=O)(O)O	618072475	LIQODXNTTZAGID-ZTCKXFDOSA-N	668.541	1.105	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565615	KYPYDQAZPLIELV-TYPHKJRUSA-N	502.612	1.194	0	40	KDAB	
COc1cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)O)cc2ccccc12	4545923	JVKKIMYBLODMLM-JYJNAYRXSA-N	500.552	1.556	0	40	KDAB	
CC[C@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1	16050383	NHUFBRORLCGDBJ-DOTOQJQBSA-N	506.668	1.506	0	40	KDAB	
O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CC1	35938092	XTDHEOGJUOXHII-VHQMJQKASA-N	512.566	1.387	0	40	KDAB	
CCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140803	SVJFFAOILUGDRH-UHFFFAOYSA-N	540.646	1.160	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)c3c1OCO3)CCN(C)C2	40312484	NAEQNAHBLPRMJI-UHFFFAOYSA-N	508.641	1.121	0	40	KDAB	biogenic
COC(=O)c1ccc2ccccc2c1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	97986550	AQKPXOWLUQPPRH-NZSGCPIUSA-N	531.514	1.661	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O	103021786	ALXUUHMLSHXZMC-UHFFFAOYSA-N	537.639	1.251	0	40	KDAB	
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(CC(C)C)nc21	103115537	PPEOZWJKZDMVLN-UHFFFAOYSA-N	590.728	1.850	0	40	KDAB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CO)CC[C@]3(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C	253389342	IDUNGWJLADYQNW-UMVOYUSUSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]3O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	253529672	LHVARDGCCWIXJA-FZHKKGNDSA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408705092	YBCOCOWSRQRGBA-MRXNPFEDSA-N	525.605	1.272	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N[C@H](C(C)C)C(=O)N1	643564683	AHDFEWGRPSOMRK-PPJWLVRDSA-N	537.661	1.993	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643565424	ZBFSZUVBQLHYKS-OWWCKCFISA-N	642.842	1.934	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)CC1	11758176	QGPSLDPSMAQBCN-UHFFFAOYSA-N	516.555	1.226	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@H](C(=O)O[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@H]2c2cccs2)cc1	13108062	LJYLXPQLTRSJMR-UVFQYZLESA-N	510.572	1.945	0	40	KDAB	
CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2nc1SCc1c(C(=O)OCC)nnn1-c1nonc1N	33355533	QAVWPTWBZCIFLK-UHFFFAOYSA-N	666.666	1.660	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2cccc(Cl)c2)cc1	100229965	WFUJFHKKXZPNIP-FQEVSTJZSA-N	557.894	1.826	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	102959383	VSFFQHGVMSMMMK-JNCKMVCSSA-N	565.620	1.558	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224222724	FEMGMHCATUIEJD-OAHLLOKOSA-N	504.030	1.940	0	40	KDAB	
COc1ccc(C(=O)CNCCN(CC(=O)c2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1OC	575420344	BAHSLCWPVJVNQB-HXUWFJFHSA-N	534.631	1.865	0	40	KDAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CC(=O)N1C	643574637	GCVWPRYLRUHCOF-GGCFSWKVSA-N	690.842	1.755	0	40	KDAB	
COc1ncccc1CN1CCC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888921	CVMOMYMPYJSKTQ-UXHICEINSA-N	516.620	1.148	0	40	KDAB	
O=C(O)CCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	4545873	SCRMMJVITKQLCL-QHCPKHFHSA-N	518.570	1.993	0	40	KDAB	
COc1ccc(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)O)ccc1OC	5759970	QXUUFFGZIUVTPV-UHFFFAOYSA-O	562.562	1.307	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1	8715734	VGUUDSNUJASRMW-VRSPKCAYSA-N	510.878	1.726	0	40	KDAB	
COCCN(C(=O)COC(=O)c1cc2ccccc2cc1O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13006033	QDRHOKUHCDQNQR-UHFFFAOYSA-N	518.526	1.862	0	40	KDAB	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2	14077918	HRYHWCMCISORDF-GDLZYMKVSA-N	522.646	1.654	0	40	KDAB	
COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	17414138	UAUWJXZXZBNZOI-AOJNWGRGSA-N	571.652	1.884	0	40	KDAB	
NC(=O)c1nsc(C(=O)N(CCN2CCOCC2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N	19941125	KLMPPZDQYCWKAX-NRFANRHFSA-N	532.642	1.928	0	40	KDAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1	20032219	ORAHQZXBXYXTSY-HNNXBMFYSA-N	502.014	1.713	0	40	KDAB	
O=C(Nc1snnc1C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	33435760	VFGUCLDQFYSJBO-CVEARBPZSA-N	507.580	1.103	0	40	KDAB	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1	43815828	ZEXLJFNSKAHNFH-OKCNIUFZSA-N	610.715	1.675	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	70665376	ALFHONPOIOCTBA-YFJHUXEUSA-N	625.727	1.255	0	40	KDAB	biogenic
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](CC(N)=O)C(=O)O	70699240	SECULALSVDWOQS-QDNNMPSSSA-N	531.569	1.223	0	40	KDAB	biogenic
COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(O[C@H]4O[C@@H]([C@H](O)CO)CO[C@H]4OC)cc(OC)c3[C@]2(O)[C@@H]1O	95555446	GVKXFVCXBFGBCD-KQGTXRGKSA-N	654.665	1.573	0	40	KDAB	
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1OC	101330024	FTIMKRQRDUXIRK-UHFFFAOYSA-N	534.569	1.839	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]3O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253529675	LHVARDGCCWIXJA-ZTHUAMSMSA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C	255271426	UHQNVKKALWJDQL-MAGWOZCJSA-N	810.975	1.237	0	40	KDAB	biogenic,in-vitro
CC(C)Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	257248468	JDUCCXDFCYTHBR-ZTOMLWHTSA-N	577.686	1.756	0	40	KDAB	
Cc1cc(=O)oc2cc(N[C@H](O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)CNC(=O)[C@H](CC(C)C)N[C@@H](C)O)ccc12	1569989275	ZYQYVNMMFPWTJT-SXFZBGDPSA-N	615.650	1.624	0	40	KDAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C=CC3=C5CC(C)(C)CC[C@@]5(CO)[C@@H](O)C[C@@]34C)[C@@]2(C)CO)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061001059	WRYJYFCCMSVEPQ-SUSQLGEPSA-N	780.993	1.681	0	40	KDAB	
NC(=O)CNC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	4016598	IJBJZNHVCMJTNM-JWQCQUIFSA-N	548.596	1.182	0	40	KDAB	
C[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	6005092	ASQGMHZTUYEPCB-FXAWDEMLSA-N	512.563	1.300	0	40	KDAB	
C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	8790442	ARJXXRPAGDKJHF-WMZOPIPTSA-N	504.584	1.295	0	40	KDAB	biogenic
COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)N2CCCCC2)cc1OC	55104313	VNZLBBGVKDHATI-OAQYLSRUSA-N	516.620	1.760	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1OCC	62566674	AAHQLYRWUCNXIV-UHFFFAOYSA-N	513.638	1.517	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	248162664	MQTOSJVFKKJCRP-FWVLTXHSSA-N	748.996	1.901	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564488	QHTMXYFLSMWDLG-VBXWPYOKSA-N	571.719	1.758	0	40	KDAB	
COCCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	2631017	YZEOKKUAQRFKRX-UHFFFAOYSA-N	501.613	1.495	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6547078	HIUOROGRFVOXHG-NRFANRHFSA-N	555.569	1.368	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC	15959575	FDSIATCTSUDLES-RLLIMONSSA-N	506.559	1.241	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	20611968	ZILUMCFGNWJGCM-DVVWYOFYSA-N	506.559	1.159	0	40	KDAB	biogenic
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCCOCCOCC1	39988418	PSONIEVWAMXXKW-VWNXMTODSA-N	530.684	1.613	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cccc(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101459115	SSPAAUHWLHOCSS-JAZQRGJZSA-N	561.407	1.819	0	40	KDAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1OC	224332079	RUCJFZJIKZPKJO-SFHVURJKSA-N	555.675	1.838	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585280513	OZGXGUVYEQUNLL-GDLZYMKVSA-N	527.662	1.807	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643564844	JBUNBFSQZFAVEJ-ILWGZMRPSA-N	515.655	1.205	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643567161	TTZORNWFRZAFNZ-GIVPXCGWSA-N	502.612	1.242	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	643571895	MIKBDRYMADIPLM-QKDODKLFSA-N	595.741	1.990	0	40	KDAB	
CCOc1ccc(C(=O)NCCCC[C@@H]2NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3OCCCNC2=O)c(OCC)c1	643573510	QBBLZMDGQHMNER-NCZODNFJSA-N	710.829	1.582	0	40	KDAB	
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C](O)[C@@H]1O	1560411688	SWYBEMXFCLYZNW-PLQHRBFRSA-N	543.729	1.605	0	40	KDAB	
NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409027286	FQWAHXQVPMZCNC-QFIPXVFZSA-N	528.612	1.488	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C	76945585	FAXGPCHRFPCXOO-LXXBGGNPSA-N	685.904	1.467	0	40	KDAB	in-vitro
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)NC(=O)NCc2ccco2)C(C)C)c1	102778434	RDINQHOUCVPIJP-NRFANRHFSA-N	536.607	1.634	0	40	KDAB	
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C	306146168	BXIFNVGZIMFBQB-UWGVZQAJSA-N	877.053	1.225	0	40	KDAB	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577726	FKRQNVNPONGHRG-IZZNHLLZSA-N	603.738	1.906	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1	9823733	AOAYFWAFVCLBSK-UHFFFAOYSA-N	514.995	1.975	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)c1	20032134	PFSVOMNZLHJDDD-SFHVURJKSA-N	525.649	1.671	0	40	KDAB	
CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CCC[C@H](C(=O)OCC)C5)C4=O)cc3)C2=O)C1	64700375	LGOAXZLLIJEMGB-NVXDSCFRSA-N	582.654	1.501	0	40	KDAB	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCC1	98023342	ZAUYDHKSVFGBBZ-RNPORBBMSA-N	696.889	1.838	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C(=O)CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	253532191	KHQMXKRETWUVJU-HDTTXZFXSA-N	911.092	1.694	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C(=O)CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	253532193	KHQMXKRETWUVJU-LJNVAQLDSA-N	911.092	1.694	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	257199283	YFGQJKBUXPKSAW-NHDCFSQGSA-N	969.128	1.642	0	40	KDAB	
CO[C@H]1CCCN(C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)O)[C@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)O	643551658	AISJXCHEVFMVBR-HUDDNCNMSA-N	743.858	1.643	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N1	643572187	RUKJWVGGEBNCPY-BKHJTQGXSA-N	671.799	1.823	0	40	KDAB	
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	3353186	QYTIXSPGOWTBBS-UHFFFAOYSA-N	520.054	1.569	0	40	KDAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19973305	LUHBDSQXVWRHRN-JOCHJYFZSA-N	507.551	1.700	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2F)CC1	19973387	XNAOCNNNOLQRSF-HSZRJFAPSA-N	507.526	1.940	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1	23074468	NCTFAADRFHAYPO-MRXNPFEDSA-N	516.576	1.682	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O	38140304	KLAQOYIJQSBJDR-RUZDIDTESA-N	530.603	1.902	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	248163173	MQTOSJVFKKJCRP-NEJZVEBOSA-N	748.996	1.901	0	40	KDAB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)nn1	409381683	VJNHXXVHTOLQQS-RPBOFIJWSA-N	641.542	1.827	0	40	KDAB	
COC(=O)COc1cccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)c1	524729839	LOWLTDCVIGIUSV-LZNRXBQRSA-N	549.580	1.686	0	40	KDAB	biogenic
CNCCCC[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)(C)C	644163949	GWKZRUKPMGSPQP-PBIPPMFTSA-N	721.944	1.883	0	40	KDAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)OC(C)(C)C=C4)cc1	1615811144	WNTBDGJNPGBIQF-WDJGSMSASA-N	658.653	1.417	0	40	KDAB	biogenic
COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1	12599768	IFMZWZDQJGYHTR-HNNXBMFYSA-N	505.549	1.859	0	40	KDAB	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)[nH]c1=O	12850231	ROGBDRUAKLIZKU-UHFFFAOYSA-N	512.567	1.325	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4ccccc4OC(=O)[C@H]2CS3)cc1	16754242	CHKVPCYBFAIFEC-YOEHRIQHSA-N	503.583	1.969	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccco4)C(=O)N23)cc1	29749106	ICTPYWITSAXRQS-QFIPXVFZSA-N	594.675	1.684	0	40	KDAB	
COc1ccc(OC(=S)N[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	35183251	ZLUXQKPMUHNNTK-UQVNRYHBSA-N	513.521	1.032	0	40	KDAB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224456435	BZWVPUGLFRHDIQ-KRWDZBQOSA-N	576.093	1.719	0	40	KDAB	
Cc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224480392	CCWWUVVUQDSDCE-UHFFFAOYSA-N	539.676	1.757	0	40	KDAB	
Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224483567	PZLBBMKIQBYPMC-IBGZPJMESA-N	525.649	1.366	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O	252678325	DWMRYOPFBMMZEG-IRHBLSKMSA-N	605.736	1.529	0	40	KDAB	biogenic,in-vitro
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2	253407949	WXRIAKRKPVEFNF-GEMTWJNPSA-N	562.733	1.757	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc12	301320059	KVKXEYNTGIGRTO-DOPYIHRPSA-N	593.637	1.856	0	40	KDAB	
NCCCCCC(=O)OC[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@H]1O	2041544843	FYZDYCPLLSEHER-UFDYNBLFSA-N	545.541	1.120	0	40	KDAB	biogenic
CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O	2048391319	YGXCETJZBDTKRY-HZUZZPORSA-N	866.973	1.270	0	40	KDAB	biogenic
Cc1cc(C)c2cc(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1	19823603	FOYGRNKTBZOPDS-UHFFFAOYSA-N	501.697	1.876	0	40	KDAB	
COC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OC)CCOCCOCC1	104032284	BLLUYOYGDIMHEX-NVPYSNMXSA-N	574.712	1.394	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	224083486	FIBIVZSPEWNARO-UHFFFAOYSA-N	580.729	1.532	0	40	KDAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C	224441206	LQRULGWONRDOOD-UHFFFAOYSA-N	525.649	1.286	0	40	KDAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	224848821	WACCFRFGQCHDPW-HXUWFJFHSA-N	541.648	1.908	0	40	KDAB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C\CC[C@@]5([C@H](C)O)OCC[C@@]6(O[C@@H]6C(=O)OC[C@]2(CC1)[C@@]4(C)[C@]31CO1)[C@H]5O	253401515	NCIFOYWXXVLKQO-MJRRFWPDSA-N	546.613	1.503	0	40	KDAB	biogenic,in-vitro
CCc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	257244922	INIXDSPCRNHZES-KMRXNPHXSA-N	563.659	1.510	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339418	UVIIFDXFOSOVOQ-PEOLYXCJSA-N	510.492	1.218	0	40	KDAB	
Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O	8918169	HECFZBDSQFQFCH-PPHZAIPVSA-N	513.591	1.483	0	40	KDAB	biogenic
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	12644875	NOFVGPKNWJDUJP-XMMPIXPASA-N	510.528	1.436	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	16034057	SFGCKIGLDNDZLI-OQGNEYSTSA-N	510.522	1.072	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC	100277245	MYSXCORUXMABHX-FXAWDEMLSA-N	552.588	1.799	0	40	KDAB	
CCOc1c(Cl)cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	100345919	GWHLDEAIIDRPQC-UHFFFAOYSA-N	541.051	1.494	0	40	KDAB	
O=S1(=O)CC[C@@H](N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575421597	JDGUUYMFXMGLCA-VXGBXAGGSA-N	551.300	1.577	0	40	KDAB	
Cc1nc(C)n(CC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)n1	585287566	YXVKDVZRRBZLHV-XMMPIXPASA-N	506.003	1.782	0	40	KDAB	
CNCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)(C)C	604971857	GWKZRUKPMGSPQP-PMUGGPHNSA-N	721.944	1.883	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	1088603866	JEPURZRNABGOCW-YTNVWYNJSA-N	821.715	1.970	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O)CO[C@@H](O[C@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1O	2054651239	SMZYCXAYGPGYRS-MQIIJZIJSA-N	827.018	1.295	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)O	12887594	WHOAUWXAUMPDLA-CUWPLCDZSA-N	532.638	1.931	0	40	KDAB	biogenic
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1	22609503	WYXCXHHTQYUORS-HSZRJFAPSA-N	521.618	1.506	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccco1	24032173	DTXVEOWLTUIWAG-GOSISDBHSA-N	506.855	1.986	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	100228100	ACGOGXSZPUJRCQ-MRXNPFEDSA-N	545.394	1.718	0	40	KDAB	
COc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)c1	104367446	SQAOLRBNCHCBJD-XWGVYQGASA-N	538.626	1.654	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	223973692	ZNOPUFDKIOVHRD-UHFFFAOYSA-N	583.685	1.317	0	40	KDAB	
Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)N(C)C)c1	224311243	KNZHPWGLXMSFAB-UHFFFAOYSA-N	538.692	1.896	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Cl)c(C)nn4C)[C@H]3SC2)s1	2747955	NREKQWVIVINMIT-ZUZCIYMTSA-N	501.015	1.686	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccccc2F)c(N)n(Cc2ccccc2)c1=O	13150553	PKNRDILHYYZQQT-UHFFFAOYSA-N	515.519	1.471	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1	15934736	IBEUFMJDXLAMFQ-UHFFFAOYSA-N	513.663	1.153	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(O)cc2)CC1	20084242	WGCGQLYJJCCTLB-QHCPKHFHSA-N	505.535	1.507	0	40	KDAB	
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1	32109459	BWLXGEBYZZYXMK-GOSISDBHSA-N	521.482	1.939	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1	222611201	OKGCEUSXGHUQBN-INIZCTEOSA-N	527.621	1.518	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224227153	IJPBLIZXXCOZIM-UHFFFAOYSA-N	511.622	1.075	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3cccnc3)c3sc(=O)[nH]c3S[C@@H]12)N1CCOCC1	245318906	XDIYADHIPATDPF-YZHHPADISA-N	512.613	1.164	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccn2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253396315	DPTZJAGPMWFFNZ-WVZMWUMTSA-N	557.644	1.924	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1	643573745	UZQAVMRNWUIXGO-ZYROZYFVSA-N	628.796	1.868	0	40	KDAB	
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	8692440	ONPYNNAQRRWXFW-UHFFFAOYSA-N	528.978	1.895	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	12877318	HYHDVVQJHHPNMM-INIZCTEOSA-N	517.560	1.479	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079914	QFFNVASHCPZYEO-UHFFFAOYSA-N	525.537	1.268	0	40	KDAB	
Cc1cc(N2C(=O)C[C@@H](N3CCC(C4CCN([C@@H]5CC(=O)N(c6cc(C)on6)C5=O)CC4)CC3)C2=O)no1	100204105	OCLAZKRVHDCWIQ-WOJBJXKFSA-N	524.578	1.667	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCCCC1	224224194	GXZBIMSFGCKHIJ-UHFFFAOYSA-N	525.649	1.929	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)c2ccccc2)NC1=O	253389914	NZNSTOHSZZLSNP-JTVKQIRFSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
COc1cc(CN2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)ccc1OCCN1CCC(C)CC1	585271817	HWSAVHAUMKOSAE-AOYPEHQESA-N	518.680	1.990	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643550637	DPQJIDXISHKCGM-OPQSODGTSA-N	552.628	1.367	0	40	KDAB	
O=C1C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N1	643565867	LZPCHWAWGDEKRE-WTNAPCKOSA-N	504.543	1.852	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582668	RTAUTBXPKSOCGX-FTJBHMTQSA-N	584.677	1.497	0	40	KDAB	
COC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccco1	2362474	GNLJLESLCWFQBT-FDWYHIAWSA-N	510.549	1.604	0	40	KDAB	
Cn1cccc1C(=O)N[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2C[C@@H](NC(=O)c3cccs3)C[C@H]2C(=O)O)C1	4221506	KBQYLYAXTCCSAU-LFPDIOOPSA-N	613.693	1.161	0	40	KDAB	biogenic,in-vitro
COCCNC(=O)C[C@@H]1c2nc(NC(=O)N3CCOCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	4222286	MQZCXXUDBNTIGN-FJPMOXAOSA-N	510.657	1.575	0	40	KDAB	biogenic,in-vitro
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)[C@H](O)[C@@H]1O	8829747	ZTLZGWDERZVHNS-DEUBWDQFSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222785974	OYQHBIAHILMJMO-NRFANRHFSA-N	551.109	1.967	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1	225058885	RQZGOPSSELDSLN-UHFFFAOYSA-N	515.610	1.658	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1	575426596	WNJLDPBPWUKLNP-RPWUZVMVSA-N	582.678	1.858	0	40	KDAB	
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643570331	ZAAHPPQSGJMFRD-AHWVRZQESA-N	584.677	1.825	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13302414	JAFHRXBUMPKHBC-TWHPPBISSA-N	520.318	1.806	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	24753767	NGCIAUQAMZDMIJ-KRWDZBQOSA-N	501.561	1.779	0	40	KDAB	
CC[C@H](C)[C@H](C(=O)N1CCOCCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O	39988425	NNTKCANJLUEGJP-NZQKXSOJSA-N	506.596	1.623	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1OC	59838736	IXZNTXMQVYKFQZ-FQEVSTJZSA-N	567.686	1.442	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1)C(=O)NCC(N)=O	70664552	UGSZFUPBYPJSOT-ZNZIZOMTSA-N	626.755	1.150	0	40	KDAB	biogenic
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1	100778965	GTXVIQBUMWAOIC-YVSFHVDLSA-N	516.661	1.390	0	40	KDAB	
O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103108916	LXEMOXNLLUAHHM-UHFFFAOYSA-N	521.935	1.139	0	40	KDAB	
COC(=O)[C@@H](O)[C@H]1[C@]2(C)C[C@]3(O)[C@@H](C(=O)[C@H]2O)[C@]24O[C@]25CC(=O)O[C@@H](c2ccoc2)[C@]5(C)CC[C@H]4[C@]13C	105154129	SZIDPCXTWHHMAY-QPEQJLATSA-N	516.543	1.063	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@H]1O[C@@H](Oc2ccc(I)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	106043681	RSFYKESPVIYVMT-BRFLTPSNSA-N	536.271	1.363	0	40	KDAB	
C=Cc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	150381751	APIFRRYVTYJXCG-IKIJJQQJSA-N	738.692	1.328	0	40	KDAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCCO)cc1	222963427	JPODYJWSKUCJLD-SFHVURJKSA-N	503.621	1.594	0	40	KDAB	
CCN1CCN(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](C(C)C)NC(=O)C2)CC1	643558456	DKUSQFQYEWJSBR-QFIPXVFZSA-N	522.090	1.849	0	40	KDAB	
CC(C)(C)OC(=O)NCCOCCOCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	1857524044	YMOKYFTVZVHRSA-QGZVFWFLSA-N	504.540	1.058	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OCc2cccc(Br)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5221441	BAWKASVQYQUJCP-QSUVIHHLSA-N	516.341	1.622	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2Cc2ccc(Cl)cc2)n(C)c1=O	8775042	SZMKUVWDBHMHKE-UHFFFAOYSA-N	514.030	1.446	0	40	KDAB	
CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12	16032558	LCHGMGJQGGYDMD-WINIVTDRSA-N	513.591	1.429	0	40	KDAB	biogenic
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1	100277767	TZKMHXKIKPDREE-HYBUGGRVSA-N	557.677	1.890	0	40	KDAB	
COc1ccc([C@H](c2c(O)nc(=S)n(C)c2O)c2c(O)nc(S)n(C)c2=O)cc1CN1CCOCC1	102505020	SYJATXIRJRLPPP-HNNXBMFYSA-N	533.632	1.670	0	40	KDAB	
O=C(OC[C@@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	150393797	LKYVQJCRMHFBND-XWDJFTLGSA-N	642.621	1.974	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	222598404	JDTQLGMOBJXFDN-UHFFFAOYSA-N	553.644	1.929	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1	254383260	ARPVHNFYZHWCNQ-CDJZJNNCSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
O=C1CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	643567170	TXSCBCSLEKYVIU-UIOOFZCWSA-N	573.650	1.651	0	40	KDAB	
O=C(c1ccnc(O)c1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577667	DVZFZWHSXASRGK-XZOQPEGZSA-N	512.607	1.746	0	40	KDAB	
CC(=O)N1CCN(C(=O)c2ccc(OCCN(C)C)cc2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1	643586378	CWMSCAZJAVNTKQ-JCYYIGJDSA-N	551.725	1.881	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	1772591106	GLURPOUSKHAUSS-NSASNPBWSA-N	796.992	1.853	0	40	KDAB	
COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	9519761	OAJKBSKWODCWQG-UHFFFAOYSA-N	501.561	1.930	0	40	KDAB	
O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103108927	YWRKHQVHTHIAMZ-UHFFFAOYSA-N	521.935	1.139	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O	103142065	AQWLJCFMUVHTRO-VWLOTQADSA-N	528.587	1.438	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C	222795722	SZCBGCGJHHTDHP-UHFFFAOYSA-N	511.622	1.592	0	40	KDAB	
CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224444066	KZYYATWEIIFENG-IBGZPJMESA-N	555.675	1.456	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(O)nc(O)nc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409037389	NKSDSEKASVLJRH-DMVFFGLYSA-N	542.570	1.501	0	40	KDAB	
CCOc1ccc(N(CC(=O)N2CCN(C(=O)CN(c3ccc(OCC)cc3)S(C)(=O)=O)CC2)S(C)(=O)=O)cc1	6600885	QEQAAVKXLPPQCA-UHFFFAOYSA-N	596.728	1.387	0	40	KDAB	
Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cncn2)cc1	12599850	ZZNHLQZQZANMPO-UHFFFAOYSA-N	506.566	1.107	0	40	KDAB	
O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	17574538	QHJOJRARHSOROG-HZPDHXFCSA-N	527.983	1.018	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1	19216781	DMBUDGSGWOORHS-QFIPXVFZSA-N	513.599	1.960	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC	20032147	APXBCXAICVCSAH-GOSISDBHSA-N	525.649	1.671	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O	23074728	GBOSNUNKARRLFC-UHFFFAOYSA-N	522.628	1.187	0	40	KDAB	
COc1ccc(Cn2c(O)c(C(c3ccccn3)c3c(O)n(Cc4ccc(OC)cc4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)cc1	103770604	VZOIXEDCLGSKLD-UHFFFAOYSA-N	585.573	1.487	0	40	KDAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224033865	HUZIQKURNCOZII-QGZVFWFLSA-N	505.593	1.786	0	40	KDAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1	4177824	WXRDDFNGJSGDDG-UHFFFAOYSA-N	522.605	1.635	0	40	KDAB	
COC[C@@H](COCCCNC(=O)NCCCCCCNC(=O)NCCCOC[C@H](COC)OC)OC	8767941	CLGSOXUFQBZHFW-VXKWHMMOSA-N	522.684	1.281	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	12866964	YKXNNJDALLDFES-UHFFFAOYSA-N	523.019	1.172	0	40	KDAB	
COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc2c1	98049273	MPWSOHDXSACTJG-UHFFFAOYSA-N	570.668	1.984	0	40	KDAB	
C[C@H]([C@H](O)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)N1CCC(Cc2ccccc2)CC1	137276355	GXHMRNLUBONADM-HGRSNUCDSA-N	501.576	1.334	0	40	KDAB	in-vitro
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCCO)cc1	222963478	JPODYJWSKUCJLD-GOSISDBHSA-N	503.621	1.594	0	40	KDAB	
CS(=O)(=O)NCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCCCC2)C1	257233811	GQVIYXOLDFKDGZ-LPHOPBHVSA-N	516.458	1.997	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC(=O)N2CCC[C@H]2C1=O	643569201	MTMKYONKSYVMGK-SVBPBHIXSA-N	591.709	1.556	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N2CCC[C@@H]2C(=O)N(C)CCOc2ccccc2C(=O)N1	643569339	CVXIBNJIEPKWLE-SESVDKBCSA-N	500.596	1.044	0	40	KDAB	
COc1ccccc1OCc1ccoc1C(=O)NCCCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2OCCCNC1=O	643572724	GUEDDEUUYUTHHI-KWHBQZNLSA-N	748.834	1.966	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643580801	SIUJHWNEEUMMOZ-ZDCRTTOTSA-N	706.800	1.988	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	12880256	YXVRQRMCDKEEOU-XMMPIXPASA-N	516.576	1.512	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3cccc(OC)c3OC)NC(C)=O)CC2)cc1	13150596	NVPONJSJNFSBRG-QFIPXVFZSA-N	519.620	1.729	0	40	KDAB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	17595743	WDDJINPIULOHAI-UHFFFAOYSA-N	526.575	1.296	0	40	KDAB	
CCc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	19961872	FWCOMWYXWZPYCV-HSZRJFAPSA-N	521.618	1.451	0	40	KDAB	
CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4[nH]cnc34)CC2)c(=O)[nH]c1=O	73280196	KXUVLTZHOKTPGO-UHFFFAOYSA-N	640.746	1.856	0	40	KDAB	
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1S(=O)(=O)N1CCOCC1	103090981	UVVLUWQELKLUDD-UHFFFAOYSA-N	537.616	1.551	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224222672	FEMGMHCATUIEJD-HNNXBMFYSA-N	504.030	1.940	0	40	KDAB	
COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)s1	224231781	RHUVRAJGZFTTMY-UHFFFAOYSA-N	506.031	1.645	0	40	KDAB	
C[C@H]1CC[C@]2(NC1)O[C@H]1[C@@H]([C@H]2C)[C@@]2(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]2[C@H]1O	253532298	RNUHPRWYDXEBOM-OGKJHUBJSA-N	739.944	1.014	0	40	KDAB	biogenic,in-vitro
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CC(=O)N(Cc2ccccc2)CC1=O	643570776	RCSXOSDDRZVARI-VWLOTQADSA-N	577.682	1.574	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CNCCCn2nc(C)cc2C)CCCCOC[C@@H](O)[C@H]1O	643586632	CLWGFCJJAUHICU-QALYSUAOSA-N	553.745	1.119	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1	989138	VYAXPNLMEWTCES-OKPNHQCWSA-N	536.606	1.956	0	40	KDAB	
COc1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2N)cc1	3391415	MFWHCJBCSZOUOW-UHFFFAOYSA-N	502.622	1.601	0	40	KDAB	
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@@](=O)C3)cc1	6208151	XPBVFQIMCOMOEH-UMSFTDKQSA-N	516.601	1.916	0	40	KDAB	
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	13134954	FFMDRTRKOBBKSM-UHFFFAOYSA-N	521.661	1.978	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl	20031169	PAOCCABGZHKHEL-UHFFFAOYSA-N	504.030	1.926	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1	38784407	IEPGNXGKKLHZCZ-HSZRJFAPSA-N	510.570	1.262	0	40	KDAB	
Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	102921094	NAOBBXOEGLHPNN-UHFFFAOYSA-N	547.037	1.776	0	40	KDAB	
CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1)S(C)(=O)=O	224489466	CDGCLCAHJRPBHZ-UHFFFAOYSA-N	532.040	1.566	0	40	KDAB	
COC[C@@]12CC[C@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1	253387867	FIDOCHXHMJHKRW-WUXLENOYSA-N	615.720	1.287	0	40	KDAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(OC)nn2)c1	409384246	BPIDMYYCZSVUMX-SFTDATJTSA-N	525.470	1.977	0	40	KDAB	
CC(C)CC(=O)N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CCCCOC[C@@H](O)[C@H](O)[C@@H](O)C1	643586472	GHABXEDJQKLYRM-ZKLXYKDVSA-N	506.596	1.025	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O)CO[C@@H](O[C@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1O	2054651241	SMZYCXAYGPGYRS-UVUHQXODSA-N	827.018	1.295	0	40	KDAB	
CCC[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6501214	QRNWGLGYBPLDCQ-CABCVRRESA-N	503.581	1.659	0	40	KDAB	
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CCCCNC(N)=O)C(=O)NCC(=O)O)c(C)c3cc2c1C	12884432	QSGBURYIUZANRN-IBGZPJMESA-N	528.562	1.921	0	40	KDAB	biogenic
CNC(=O)CCC(=O)N[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H]([C@@H]6CC[C@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@@H]5[C@@H]67)[C@@H]43)[C@]12C	104295037	SWJNZTGFSRJUQQ-GTBNABOASA-N	582.742	1.538	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216305305	AEDVJDMITHPZNB-GMOZNSKDSA-N	525.532	1.506	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224254349	JMOWSVYARRMHSO-CQSZACIVSA-N	505.565	1.565	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576058	GTIJFCHJMDAYGC-XNVGKWMQSA-N	677.730	1.001	0	40	KDAB	
CNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl	2653371	PFYJJDFRLCJEJY-UHFFFAOYSA-N	506.968	1.866	0	40	KDAB	
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cncn2)cc(OC)c1OC	15910748	ADDDMIOFWXEBEV-UHFFFAOYSA-N	503.537	1.566	0	40	KDAB	
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N2CCC3(CC2)OCCO3)CC1	67336980	OERQGXDLHPDZKG-UHFFFAOYSA-N	533.651	1.792	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	100250325	BPDBXEVYPPWFPU-BRPVHVPTSA-N	551.618	1.566	0	40	KDAB	
COC(=O)c1ccc(C(c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)cc1	100747095	FNMJLFGMUADAAQ-UHFFFAOYSA-N	614.567	1.760	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567467	GTIQUIVJKADDFG-UIOOFZCWSA-N	579.698	1.451	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CC(=O)N1	643571836	KPIJNBQOHIYHAU-NSGJQZOKSA-N	687.798	1.529	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1	989140	VYAXPNLMEWTCES-URBQWANRSA-N	536.606	1.956	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)[C@H]3SC2)s1	1567519	VTLCNEGVSVJLDN-BLLLJJGKSA-N	548.455	1.846	0	40	KDAB	biogenic
COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc2)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1	97977086	CHLNZFLTTMTGLE-UHFFFAOYSA-N	564.686	1.134	0	40	KDAB	
O=C(Cn1nnc(-c2ccc(OCCOCCOc3ccc(-c4nnn(CC(=O)NC[C@@H]5CCCO5)n4)cc3)cc2)n1)NC[C@@H]1CCCO1	150371222	JZPIGPJPXIILGC-NSOVKSMOSA-N	676.735	1.058	0	40	KDAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222858143	BPTKJSZICLFMHD-QFIPXVFZSA-N	592.690	1.091	0	40	KDAB	
COc1ccc(CN2CCC3(CCOc4cc(N5CCOCC5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1	1548888777	AAIYVAPMFASEHZ-RSXGOPAZSA-N	600.738	1.589	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OCCCCCC(=O)OCc2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	2362804355	ODSKSLVZSZMIIP-UIKHAHSZSA-N	551.589	1.963	0	40	KDAB	
C[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	4018352	LKZCUOVBNNSUSB-DNQXCXABSA-N	664.712	1.093	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6905081	LALXSFVQYFYGOE-FQEVSTJZSA-N	527.559	1.405	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1Br	8619351	AKDWTVCYSZSYQZ-GFCCVEGCSA-N	567.788	1.684	0	40	KDAB	
CC(C)Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c(=O)n(C)c1=O	38148410	LLXVXLKRPFHZHR-UHFFFAOYSA-N	542.662	1.192	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	103053917	QIHYVSHIKBTILL-UHFFFAOYSA-N	539.632	1.054	0	40	KDAB	
CCN(C(=O)COC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1	103054519	BKUJSGSISKFQQF-SFHVURJKSA-N	544.582	1.692	0	40	KDAB	
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224443076	ZRAQPXXYZRDYTG-UHFFFAOYSA-N	546.067	1.631	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cccc(OC)c1	408856316	BXHGNUFVKWCJER-RQLGBQGVSA-N	518.595	1.997	0	40	KDAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C=CC3=C5CC(C)(C)CC[C@@]5(CO)[C@H](O)C[C@@]34C)[C@@]2(C)CO)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	1529054956	WRYJYFCCMSVEPQ-GNZRKSHQSA-N	780.993	1.681	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CCCC1)CC2	1548890525	RSVWMPFSZOYQEO-RPWUZVMVSA-N	562.733	1.571	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	1772591105	GLURPOUSKHAUSS-GUYFGNNASA-N	796.992	1.853	0	40	KDAB	
CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCC2	6599730	XUTMLUPUYFFEIL-LSTHTHJFSA-N	527.548	1.710	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1	12599780	GKXZNVSWJWDVCD-UHFFFAOYSA-N	524.548	1.537	0	40	KDAB	
COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)c1	13134765	KQCAFIGXZVUILZ-UHFFFAOYSA-N	504.609	1.729	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O	59762823	DVGGLGXQSFURLP-FGJWIVEUSA-N	594.525	1.725	0	40	KDAB	endogenous,in-man
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1C	59838592	OUFKJYWXOICOLX-OAQYLSRUSA-N	551.687	1.742	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1	59853502	OYLBBYCMMQCEGN-FQEVSTJZSA-N	546.023	1.535	0	40	KDAB	
CSCC[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	100166509	VAQRAIRRIIFXAS-BMEWAZJXSA-N	534.638	1.618	0	40	KDAB	
C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	102975517	UFCDFYFDCJOPQV-NSHDSACASA-N	538.941	1.688	0	40	KDAB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	575424374	KPBSEZSMBFRHMF-NXEZZACHSA-N	504.628	1.924	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N2CCC[C@@H]2C1=O	643569616	MHOPGRCRPHEZIV-FCHUYYIVSA-N	507.591	1.161	0	40	KDAB	
Cc1cc(C)nc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1	1265659	MCPGRNDXKVJRHD-UHFFFAOYSA-N	506.636	1.959	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c(=O)n(C)c1=O	2630464	OGXIIEUQAPFUKL-UHFFFAOYSA-N	512.478	1.660	0	40	KDAB	
Cc1c(C(=O)O)sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NCCCC(=O)O)cc3)[nH]c(=O)c12	2710628	YFEZAYSQXMJADK-UHFFFAOYSA-N	540.601	1.865	0	40	KDAB	
O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)NCc1ccc2c(c1)OCO2	3390322	JYLQLLWVRRVVNJ-UHFFFAOYSA-N	519.757	1.969	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	12877328	HYHDVVQJHHPNMM-MRXNPFEDSA-N	517.560	1.479	0	40	KDAB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032361	QFJBGNHAKQMYCX-UHFFFAOYSA-N	511.622	1.089	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1	222949028	YZDYQEJXJARXHS-JOCHJYFZSA-N	560.717	1.792	0	40	KDAB	
Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCCC3)cc1)CN2S(C)(=O)=O	224400698	ZWAYKEDOXYYBGL-HSZRJFAPSA-N	537.660	1.892	0	40	KDAB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	260892382	YMUATBGDRCDMFH-OAHLLOKOSA-N	534.056	1.949	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]45C)[C@]4(C)C[C@@H](C)[C@@H](O)C(C)(C)[C@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	1529054651	ODVSKBPWRRQPNN-GYPJEXEXSA-N	801.024	1.215	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccc1F)CC2	1548889514	HEQJPFBVZFIKLV-CTNGQTDRSA-N	503.596	1.883	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6547102	QGEWIVMMILVSOW-FQEVSTJZSA-N	527.559	1.606	0	40	KDAB	
CCC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21)=C1C(=O)N(C)C(=O)N(C)C1=O	9348141	RTSMNZWJNKGTGF-GOSISDBHSA-N	522.562	1.375	0	40	KDAB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CSCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O	12996765	ICULGJPBXHBXBT-UHFFFAOYSA-N	511.604	1.979	0	40	KDAB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1ccc(OC(=O)C[C@H]2SC(=O)NC2=O)cc1	101174727	UHDMFVBATFETCL-WXXAQXCCSA-N	615.667	1.641	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(C)=O)[C@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](C(C)C)NC1=O	252463618	JEQWQKAKFXGXKA-YGLKRSGSSA-N	740.899	1.168	0	40	KDAB	biogenic,in-vitro
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@H]3C(=O)NC[C@H]1O2	253398774	HLHMAZYSTCQUDU-AYEXWZOKSA-N	534.679	1.120	0	40	KDAB	
C=C(Oc1cc(C(=O)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](OC(C)=O)[C@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O	253500900	QPTBIDGWTVNLQQ-PZYJALBSSA-N	656.553	1.566	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@@H]1[C@@H](O[C@@]2(O)[C@@H](O)[C@H](CO)O[C@H](O[C@@H]3C[C@@H]4[C@]5(CC[C@@]6(C)[C@H]([C@]7(C)CC[C@H](C(C)(C)O)O7)[C@H](O)C[C@]46C)C[C@]54CCCC(C)(C)[C@H]34)[C@H]2O)OC[C@H](O)[C@H]1O	2060989896	LFJNPJBIDAQEHH-DFYHKWGRSA-N	827.018	1.644	0	40	KDAB	
Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)n1	12485085	OSEZKETWUBRIFL-UHFFFAOYSA-N	508.568	1.390	0	40	KDAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1	16043519	BDGXKYZFOWLPPZ-XNTDXEJSSA-N	501.561	1.817	0	40	KDAB	
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N2CCN(CC)CC2)CC1	67336993	ZJDNZBUFWMHTOI-UHFFFAOYSA-N	504.657	1.590	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	252694965	SKHJNNFXCKTDBG-YYLJUXNHSA-N	708.886	2.000	0	40	KDAB	biogenic
Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)CCc4nc5ccc(Cl)cc5[nH]4)CC3)OC[C@]2(C)O)n(C)c1=O	257254619	KDYSLRGKQCRNPO-SIBVEZHUSA-N	570.050	1.670	0	40	KDAB	
COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(OC)nn2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409384243	BPIDMYYCZSVUMX-LEWJYISDSA-N	525.470	1.977	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCNC1=O	643568274	OBBYNVVLSWPZEX-LBNVMWSVSA-N	626.799	1.636	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643569098	LINYRMXMQPWJBX-LEDOBFOHSA-N	502.612	1.194	0	40	KDAB	
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750588	NZDCGZOHJTWGOX-FMVYVHETSA-N	801.024	1.120	0	40	KDAB	
Cn1c(SCC(=O)NCCNC(=O)CSc2nnc(C(F)(F)F)n2C)nnc1C(F)(F)F	8686515	UIDVYDPIUZXFED-UHFFFAOYSA-N	506.458	1.098	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(C[C@H]2CCCO2)CCS3(=O)=O)CC1	12321904	UULPDBZRAKCXMF-CYBMUJFWSA-N	505.515	1.791	0	40	KDAB	
COc1cccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	12542366	YHUDCXTZZLPTAC-MRXNPFEDSA-N	505.549	1.016	0	40	KDAB	
Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c(C)c3cc2c1C	70705715	AJVFWDZTLSYUKH-DEOSSOPVSA-N	618.643	1.558	0	40	KDAB	biogenic
COc1ccc([C@H]2OC[C@H]3O[C@H](Oc4ccc([N+](=O)[O-])cc4)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3O2)cc1	94303105	KPWDKWQHZWJURT-PPMMGFJDSA-N	790.728	1.794	0	40	KDAB	in-vitro
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1	102100766	FLUFEWXKLPHPIV-OAQYLSRUSA-N	544.450	1.936	0	40	KDAB	
C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	102975519	UFCDFYFDCJOPQV-LLVKDONJSA-N	538.941	1.688	0	40	KDAB	
O[C@H]1c2cc(I)cc(I)c2OCC1(CN1CCOCC1)CN1CCOCC1	103598667	IBRAERSZUWITAO-SFHVURJKSA-N	600.235	1.972	0	40	KDAB	
COCC(=O)N1CCN(CC2(O)CCN(c3cccc(OC)c3)CC2)C[C@](O)(COc2cccc(F)c2F)C1	585286735	IARCOGGLUDCGJW-MUUNZHRXSA-N	549.615	1.905	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@@H](CCC(=O)N2CC(O)C2)C(=O)N[C@H](CC(C)C)C(=O)N1	643556402	JTCBTYZQVPPFFB-YUXAGFNASA-N	516.639	1.223	0	40	KDAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)NCCS(=O)(=O)N1CCCC1	643559047	ZWJDSWOZIPHPKI-UHFFFAOYSA-N	520.696	1.532	0	40	KDAB	
COC(=O)C(C(=O)OC)C(C[C@H](c1cc(OC)ccc1Br)C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC	4014215	UNJGMQXDFBOHQV-CQSZACIVSA-N	619.414	1.434	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	12467516	LOTKXLVDLDGSLM-IBGZPJMESA-N	517.564	1.894	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)NC1CCCCC1	20467424	CCELBRNHGCLNMJ-XZOQPEGZSA-N	518.703	1.482	0	40	KDAB	biogenic,in-vitro
CCn1cc(C(=O)N2CCN(C=O)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1	67338056	INZVNHKXOQWGDX-UHFFFAOYSA-N	509.032	1.290	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2c(F)cc(F)cc2Br)NC(=O)N[C@H]1C	72138529	OFYGYDXLNATHBO-QMMMGPOBSA-N	526.312	1.067	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cccnc2)c2sc(=O)[nH]c2S[C@H]31)N1CCOCC1	100971821	XDIYADHIPATDPF-RZXONCOESA-N	512.613	1.164	0	40	KDAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4Br)C3=O)CC2)c1	102851436	YZUYOPLSUPWJPN-XMMPIXPASA-N	577.457	1.952	0	40	KDAB	
C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222856639	LQDDXNDJHFTVPU-YKSBVNFPSA-N	563.648	1.938	0	40	KDAB	
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	252463642	MUEUOXPTUMGVJS-KULDDAMZSA-N	838.985	1.562	0	40	KDAB	biogenic,in-vitro
CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)C1=O	643556071	GMMPYSZUDDOZGJ-HHHXNRCGSA-N	541.626	1.693	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643564979	AIZJXBWWVLNSOV-KGPYPHOUSA-N	605.736	1.984	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3cccs3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913239	MLWNBGXTMOAIOX-AVJFOWIRSA-N	627.830	1.901	0	40	KDAB	
O=C1N[C@H]2CCN(CC(=O)N3CCOCC3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037879475	YJLJFNSGNBKABJ-UODIDJSMSA-N	538.689	1.526	0	40	KDAB	
O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600203	ZVSKTMKZXHLNBG-KRWDZBQOSA-N	500.346	1.368	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1	20610662	UBWNUSPDYLRFSV-VDLCSRDCSA-N	510.934	1.626	0	40	KDAB	biogenic
CCOC(=O)/C=c1\s/c(=C/c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@H](C)O[C@H](C)C1	34737823	YGKNMQCWVJOQAC-QTXFRVGFSA-N	504.605	1.125	0	40	KDAB	
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3cnc4cccnc4c3O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	59817121	XMQVYNAURODYCQ-SLFBBCNNSA-N	521.555	1.438	0	40	KDAB	in-man
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@H](C)O	70700542	SMEKSEYFODSNDF-MKISSOOHSA-N	518.570	1.729	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	100353820	UNEOYOWBPLKDMQ-UHFFFAOYSA-N	543.689	1.565	0	40	KDAB	
CC(=O)OCC(COC(C)=O)NC(=O)c1c(I)c(N)c(I)c(C(=O)NC(COC(C)=O)COC(C)=O)c1I	150344354	GUUCJQVOLIWIFP-UHFFFAOYSA-N	873.173	1.532	0	40	KDAB	in-vitro
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC	245229724	DURWVYJGVQVMMN-RNHFSVANSA-N	554.604	1.994	0	40	KDAB	
C[C@]1(O)COC2(CCN(C(=O)c3cccc(OCCN)c3)CC2)C[C@@H]1n1c(O)nc(=O)c2ccccc21	257222108	DRYZIMQZNSSSAI-NVQXNPDNSA-N	508.575	1.827	0	40	KDAB	
C[C@H](C(=O)[C@H](N)[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](N)C(=O)[C@H](Cc1c[nH]c2ccccc12)[C@H](N)C(=O)[C@@H](N)Cc1cnc[nH]1	575319562	UHERAKUKXITLHD-YQUXYIEJSA-N	929.140	1.140	0	40	KDAB	
C/C(=C\CC/C=C(\C)CC[C@@H]1O[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]1(C)O)CC[C@@H]1O[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@]1(C)O	1772591508	CLDUAPYOOGANAK-DKJUVYRSSA-N	835.038	1.007	0	40	KDAB	
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	6150623	LJCWTBCNMZKAHL-UHFFFAOYSA-N	504.613	1.663	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC	6904981	QHNBVPOLHMTXFG-HXUWFJFHSA-N	529.575	1.698	0	40	KDAB	
COc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N(C)Cc1ccccc1	13012554	ACZMFALJVQXTGP-IBGZPJMESA-N	524.617	1.318	0	40	KDAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1	59852156	CHQHMMXOHBJOTD-UHFFFAOYSA-N	546.067	1.744	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C(=O)CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	253532192	KHQMXKRETWUVJU-LBBMTKPLSA-N	911.092	1.694	0	40	KDAB	biogenic,in-vitro
O=C(CN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)CN(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	575420627	CYQMMRNLTIBWQL-ZEQRLZLVSA-N	504.674	1.934	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)NCC(=O)N1	643571132	ZBCROLGRXVWGBV-FCHUYYIVSA-N	515.655	1.207	0	40	KDAB	
O=C(/C=C/c1ccccc1)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643586492	HTHOKOCELQGNTN-WKEPJNIRSA-N	500.567	1.703	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nc(C)cc(C)n2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913416	WOOWNURJMDDGQU-NZCWTCFWSA-N	570.753	1.451	0	40	KDAB	
CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4nccs4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1	1534612594	IVVHTARBHBHAFO-XJUOHMSHSA-N	549.719	1.085	0	40	KDAB	
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	1534685671	QRMBKHABIJSKEI-NUOKCZKUSA-N	815.007	1.071	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1ccc(F)cc1F)CC2	1548891115	WZPMEAFFKVJBGZ-QPPBQGQZSA-N	635.690	1.891	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@@H]1CCS(=O)(=O)C1	3390610	IDPGPBHQDMGCTD-HXUWFJFHSA-N	506.602	1.236	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	225561085	GPMJNIDZMBCUBI-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	247647510	KYWSCMDFVARMPN-OKPLZPOSSA-N	780.993	1.777	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	253529640	JDQAJUDONPAIME-DDHXHPLOSA-N	955.145	1.916	0	40	KDAB	biogenic,in-vitro
CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](O)[C@@H]1O	257321302	WBBJRNXJGMFEGW-VURPSTOHSA-N	525.610	1.772	0	40	KDAB	
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@H](O)[C@@H]1O	8829750	ZTLZGWDERZVHNS-VTJGXYHSSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1OC(=O)c1ccc2ccccc2c1O	62725268	YRCXXSRBHWKKJC-HRZCLMFYSA-N	517.487	1.358	0	40	KDAB	
COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222854915	VVLUHWCJCQEPSX-IBGZPJMESA-N	537.610	1.405	0	40	KDAB	
Cn1cc(CN2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4ccccc4F)cc3OC[C@]3(C[C@H](O)[C@H](O)C3)C2)cn1	253400748	LREXPESBYZUKFJ-BUQBWPEYSA-N	560.648	1.262	0	40	KDAB	
C[C@@H](O)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	2060999787	LMJLJHLHNWDRFZ-ANLVUFKYSA-N	505.046	1.094	0	40	KDAB	
C[C@H](O)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	2060999788	LMJLJHLHNWDRFZ-CDUCUWFYSA-N	505.046	1.094	0	40	KDAB	
Cc1c(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C	3215930	WPKAZGAVLVHNCS-UHFFFAOYSA-N	532.550	1.440	0	40	KDAB	
CC(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H]([C@H](OC(C)=O)[C@H](C)OC(C)=O)CN2	8384354	ZJCHEBFBFOKHNK-XTZPKPCCSA-O	563.591	1.388	0	40	KDAB	
CCCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97981499	DWKMUXPFNXCMNC-UHFFFAOYSA-N	558.636	1.056	0	40	KDAB	
C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)C1	101462094	XJKSWFUCQUNESH-CADBVGFASA-N	594.721	1.215	0	40	KDAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224496042	SKOLGULAUFHMBI-QHCPKHFHSA-N	555.675	1.456	0	40	KDAB	
CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3CCC(C(N)=O)CC3)CCO2)C1=O	643557184	QTVBWILGIKWBHG-MHZLTWQESA-N	500.640	1.435	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O	644163972	TZCYVPLNMOJUIL-WNIDPFECSA-N	746.995	1.100	0	40	KDAB	
CCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1c(N)n(CCCC)c(=O)[nH]c1=O	23078150	GGMAHHZXFDJVCJ-UHFFFAOYSA-N	527.669	1.377	0	40	KDAB	
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O	79216635	DHQFYEJMFMYGCV-OXAGXVSUSA-N	591.786	1.711	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(NC(=O)CSC2=NN/C(=C3\C=c4ccccc4=N3)N2c2ccccc2)cc1	102910997	HIGDMABVEAVIBC-LNVKXUELSA-N	504.597	1.670	0	40	KDAB	
COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224366408	UCUKTHSIAWQVKK-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(C)s2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913189	JPHNFRAJSFSTMN-DZCCDHAISA-N	562.755	1.204	0	40	KDAB	
O=C(O)CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5cncn5)cc4)CO[C@H]23)CCCC1	4259938	SRMUMBAUEAIQBT-MOXQZVSFSA-N	524.538	1.295	0	40	KDAB	biogenic,in-vitro
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(N)=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2=S)cc1	9892319	UAFIWELXWRJSOU-GOSISDBHSA-N	500.533	1.403	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34651254	XYWZWQBEWGQXQR-MMXJFWRNSA-N	515.515	1.582	0	40	KDAB	
CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1	96023908	ZKPXDCPRHDFPTL-UWOSJZGMSA-N	616.748	1.966	0	40	KDAB	biogenic
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCSSCCC(=O)ON1C(=O)CCC1=O	97978828	LBEDTGQHCFODEH-SNUQEOBHSA-N	504.656	1.207	0	40	KDAB	
O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223150009	GIPACPZBYDPTBZ-MUUNZHRXSA-N	599.681	1.974	0	40	KDAB	
CC(C)OC(=O)[C@H](C)N[P@](=O)(OCC[C@@]1(F)O[C@@H](n2ccc(O)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	299817298	SJRRUYALNGAWON-QCWDSNCJSA-N	559.484	1.779	0	40	KDAB	in-vitro
Cc1nc(C)n(CC(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)n1	643578844	JHIDNLZETHHBFL-LOSJGSFVSA-N	527.666	1.845	0	40	KDAB	
NS(=O)(=O)c1ccc(CCN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1	18106633	GBVZNZKBLCPDSC-BLGFXRMMSA-N	505.936	1.331	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@@H]2SC1	33356842	KXYQZNHPBBGJLK-RTHLEPHNSA-N	527.275	1.117	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O	96019883	JUWCDBFGUJUJHP-RUZDIDTESA-N	528.587	1.148	0	40	KDAB	
Cn1c(O)c(C[C@@H]2c3cc(Cc4ccccc4Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	102471315	IVLVJMMNXQCLQM-QGZVFWFLSA-N	536.972	1.912	0	40	KDAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4Br)C3=O)CC2)cc1	102896082	UAGLGBLCWHWKNO-DEOSSOPVSA-N	577.457	1.952	0	40	KDAB	
CO[C@H]1C=C2[C@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)[C@H](O)[C@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12	253532250	NFGQKKGYMKRYEF-JRHQJRRLSA-N	813.035	1.550	0	40	KDAB	biogenic,in-vitro
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC	408596455	ZKPMPBZJATUSJQ-VZUCSPMQSA-N	504.233	1.219	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	15956736	YOCPCFLXSNTXKR-WYMULPSZSA-N	526.977	1.504	0	40	KDAB	biogenic
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@@H](OC(=O)[C@](C)(O)[C@@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	85866793	KBGNYIWYDYVUFP-KOXYGZGPSA-N	793.948	1.607	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](Sc2nnc(COc3ccc(Cl)cc3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101575220	ZUHNIJKKUNIBLE-LHLZYUOTSA-N	585.035	1.796	0	40	KDAB	
COc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1S(=O)(=O)N(C)C	102220154	AIVZJTFMHBIMMR-UHFFFAOYSA-N	597.668	1.299	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1	102920307	AVPADNDQCKMTFO-UHFFFAOYSA-N	548.666	1.727	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl	224441453	UWOMZPURYNMWOB-UHFFFAOYSA-N	532.040	1.322	0	40	KDAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC	408548984	OTQFWCJNSUEIQS-WUXMJOGZSA-N	518.260	1.307	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643564843	JBUNBFSQZFAVEJ-BVSLBCMMSA-N	515.655	1.205	0	40	KDAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)=O)C2	3007261	YZCCLFTVMZGLIX-UHFFFAOYSA-N	507.590	1.713	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6089365	KDXCHWAZSOIMRC-FQEVSTJZSA-N	526.575	1.291	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc(Br)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	12406344	QBFVABHSGIIDPA-OMQSBVIBSA-N	502.314	1.484	0	40	KDAB	
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1	38152817	PMQBOONYAJBKNR-MOHJPFBDSA-N	555.657	1.524	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	67337047	XYEBXESEHGQNCC-UHFFFAOYSA-N	504.657	1.590	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2	253407959	WYHROPQWDGRDLE-FEVSWUGISA-N	578.657	1.968	0	40	KDAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCOCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585281715	QAVXQOKTQGTYNQ-MUUNZHRXSA-N	549.615	1.777	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643572712	GFAQSUWUWPMAFM-URZSDBKHSA-N	678.831	1.502	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1O	2054651240	SMZYCXAYGPGYRS-OWQGCVAMSA-N	827.018	1.295	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(Cl)c1Cl	1639813	ZUJKDHNUVLCZJT-JTQLQIEISA-N	523.337	1.575	0	40	KDAB	
CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnc(C)s4)CS[C@@H]23)n1	2747827	CRWUJGVQONLEQC-ABAIWWIYSA-N	501.015	1.861	0	40	KDAB	
O=C(c1ccco1)N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@H]2CCCO2)CC1	6445840	HNYQBNYRPPOFFZ-HXOBKFHXSA-N	533.545	1.563	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1	20032327	KTQBTSJMUCXTDQ-KRWDZBQOSA-N	513.613	1.802	0	40	KDAB	
O=C(C=Cc1ccc(O)c(O)c1)OC1[C@@H](O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)C[C@@H]1O	26248761	IYXQRCXQQWUFQV-BVUOJPEUSA-N	516.455	1.030	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)[C@@H]2SC1	97946035	MQRBYFLGBUPNBV-NHYWBVRUSA-N	541.302	1.275	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1	100227255	QDLVWRCDZZBCQZ-INIZCTEOSA-N	561.393	1.418	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)ccc1-n1cnnn1	100446571	KANYFZKTBSMAMY-UHFFFAOYSA-N	532.590	1.828	0	40	KDAB	
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	253610390	SPVIRJDNIGLRRD-ZOWOYJMCSA-N	828.990	1.164	0	40	KDAB	biogenic,in-vitro
Cc1cc(C)nc(N2CCC(C(=O)N3CCC4(CC3)CNC(=O)COc3ccccc3C[C@H](O)[C@H](O)C4)CC2)n1	643565454	FJXMCURSJXISTL-LOSJGSFVSA-N	551.688	1.782	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(CCC(F)(F)F)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548889069	FZYMMQPRBVNWHD-MSOLQXFVSA-N	572.610	1.292	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	6904984	DCALRFCSNSMBRK-HXUWFJFHSA-N	529.575	1.698	0	40	KDAB	
COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC	13133660	KTTYXLKTJPYJEF-PBHICJAKSA-N	519.576	1.461	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c(N)n(Cc2ccccc2)c1=O	14128708	CGCZCAKQVGRGRJ-UHFFFAOYSA-N	517.441	1.455	0	40	KDAB	
O=C(CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12)Nc1ccc(F)c(F)c1	32960928	HOJMCBLNTJAYEX-UHFFFAOYSA-N	506.487	1.196	0	40	KDAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)cc1)N1CCOCC1	100471704	QDWQHHSWDMROLB-UHFFFAOYSA-N	617.685	1.704	0	40	KDAB	
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1S(=O)(=O)N1CCOCC1	224012222	OLQGJLSSQBRBRH-UHFFFAOYSA-N	529.662	1.697	0	40	KDAB	
COc1cc(Br)cc(C(=O)N2CCC3(CC2)C[C@H](n2ccc(O)nc2=O)[C@@](C)(O)CO3)c1O	257241711	HZGLFJHGXBIPDM-KKSFZXQISA-N	524.368	1.813	0	40	KDAB	
CC(C)(C)OC(=O)NCCOc1cccc(C(=O)N[C@@H]2CC[C@H](O)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)c1	257257834	KRGYTIAFGWLUPH-PIKOESSRSA-N	527.582	1.167	0	40	KDAB	
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H](O)CC[C@@]43C)[C@]2(C)CC[C@H]1O	514287916	IEDTVFQRYOEXGI-VVBZKXLCSA-N	512.684	1.574	0	40	KDAB	biogenic,in-vitro
COC[C@]12CN(C)[C@H]3[C@H]4[C@H](OC)[C@H]1[C@@]3([C@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@H](OC)CC[C@H](O)[C@@]4(C)[C@H]1[C@H]2OC(=O)c1ccccc1	575127209	CLNODDZVJJQWNZ-RQHZRZGZSA-N	615.764	1.743	0	40	KDAB	
O=S1(=O)C[C@H](O)[C@@H](N(c2ccc(NS(=O)(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)C1	575426560	VRORDCJPERPHEP-VXKWHMMOSA-N	522.626	1.841	0	40	KDAB	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC	12541723	ZNNZQEOBIMXVMP-AWEZNQCLSA-N	525.605	1.906	0	40	KDAB	
COc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N(C)Cc1ccccc1	13012553	ACZMFALJVQXTGP-LJQANCHMSA-N	524.617	1.318	0	40	KDAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC1	14129729	SXLSNIDPNJPYPL-UHFFFAOYSA-N	517.560	1.443	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	94303289	XCLJRCAJSCMIND-JCTYMORFSA-N	734.969	1.544	0	40	KDAB	biogenic,in-vitro
CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	253500650	GZNCPAASLBFTKY-ITVOLXFLSA-N	810.975	1.379	0	40	KDAB	biogenic,in-vitro
CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	1839492	NEZKPXFSPBYPFW-AIDNLNPPSA-N	562.601	1.334	0	40	KDAB	biogenic
O=C(CCCCC(=O)Nc1cc(C2=NCCN2)cc([C@H]2N=CCN2)c1)Nc1cc(C2=NCCN2)cc(C2=NCCN2)c1	19325668	DNWXQNNCTPVLGN-MHZLTWQESA-N	568.686	1.546	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCCC1	224224112	DJJNBSVYVPOELK-UHFFFAOYSA-N	511.622	1.539	0	40	KDAB	
Cc1nc(C)n(CC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)n1	585284818	JOAMEISIPGKRBI-VWLOTQADSA-N	519.046	1.697	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@](O)([C@@H](OC)[C@@H]23)[C@@H]14	2049252026	IPWQJEONCUFCOR-OGOCCTGFSA-N	710.821	1.952	0	40	KDAB	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	13525910	HUIZWXZPIGVHNX-FQEVSTJZSA-N	511.984	1.764	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(Cl)cc1	20031066	BJSPHWNRAIIZBL-UHFFFAOYSA-N	516.041	1.439	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(=O)[nH]c1=O	23078688	OEDDORSXNIUIBB-UHFFFAOYSA-N	521.640	1.695	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	59838573	JLRNVIXAYVGFHZ-FQEVSTJZSA-N	537.660	1.433	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(S(N)(=O)=O)ccc21	100873630	OSMABOBCBXKPQF-GYHWCHFESA-N	502.574	1.781	0	40	KDAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(=O)[nH]c1=O	103088507	VXNSCYOADVXDIO-UHFFFAOYSA-N	537.639	1.128	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	225488252	ZGFWEVUZZOSFLR-UHFFFAOYSA-N	541.623	1.895	0	40	KDAB	
CC1(C)CCC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CN1S(C)(=O)=O	257232297	GKGOUVBSKUQKNY-UHFFFAOYSA-N	542.724	1.562	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643564757	DJSMRXZAYUPKJV-QWUVBGQNSA-N	524.618	1.453	0	40	KDAB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)c3cc4c(=O)n(CC5=CCS(=O)(=O)C5)c(=O)n(C)c4nc3C[C@@H]1C)C2=O	1547211055	LQLYYUGVKWNEAS-JWNZJDHWSA-N	602.021	1.510	0	40	KDAB	biogenic
C[C@H]1O[C@@H](CO[C@@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3C=C[C@@]35OC[C@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@]45C)[C@H]2CO)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000928	GPRYEOJEOMZURB-MVRYPVBMSA-N	795.020	1.677	0	40	KDAB	
O=C(Nc1ccc(C2=NC[C@H](O)CN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NC[C@H](O)CN3)cc2)cc1	1713827	KMGIUZXNLVSICS-UHFFFAOYSA-N	512.570	1.613	0	40	KDAB	
O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600207	HFPCWGRPUGLGBM-IBGZPJMESA-N	510.410	1.661	0	40	KDAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)c2C(N)=O)C1	11883249	JEVCEFISFDEHKQ-INIZCTEOSA-N	520.633	1.803	0	40	KDAB	
COc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCc2ccccc21	17595745	NZUVCWOETPUERX-LJQANCHMSA-N	536.628	1.639	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1	22609885	KJSSOIPWAAPPJS-XMMPIXPASA-N	521.618	1.337	0	40	KDAB	
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	33557839	LNNFOEOMMUIRDX-XDHOZWIPSA-N	518.573	1.374	0	40	KDAB	
COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)nc1N	67336248	BKSSGIJMTCYLFL-UHFFFAOYSA-N	509.032	1.864	0	40	KDAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O	70691865	LELZHYIYODBMGR-IZPVRBEJSA-N	566.688	1.053	0	40	KDAB	biogenic
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1	100446602	UDESKYRNRKALQO-UHFFFAOYSA-N	557.658	1.794	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1	226079585	ODSGZXQMHOTKKS-UHFFFAOYSA-N	511.622	1.960	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389359	ISTWCKNDZOSMPU-VJZKPLSTSA-N	927.135	1.732	0	40	KDAB	biogenic,in-vitro
CC(C)c1ccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(S(=O)(=O)c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	575421279	OATYZJWKZSTSQS-FATVKVNYSA-N	630.832	1.960	0	40	KDAB	
COC(=O)C[C@H](C(=O)CSC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)OC	17125389	YMHKJZFTMARNGG-QGZVFWFLSA-N	514.599	1.872	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(I)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528667	BACZETLXMXQASX-CENDIDJXSA-N	549.314	1.326	0	40	KDAB	
O=S1(=O)C[C@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)C1	575420855	FSDQXHXYUMPUOL-ROUUACIJSA-N	632.374	1.339	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576411	XOUYHUJFYXKBMC-ULNSLHSMSA-N	659.788	1.735	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	957615333	RPBOFHGWCDGAEG-BUIODCGUSA-N	727.690	1.751	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	2110747	NDZHVBKIFZZSOO-XGCWNURASA-N	511.575	1.047	0	40	KDAB	biogenic
CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](CC)C(=O)O)ccc1-2)C(=O)O	6631903	SIKHNQGLVRNUCB-ROUUACIJSA-N	510.546	1.181	0	40	KDAB	
Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1	8680683	JAHWIZMBXJXWMQ-PCLLFAKXSA-N	506.559	1.958	0	40	KDAB	
Cc1ccc(OC[C@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1	9292799	QLFOJUMFXKRGIQ-UYAOXDASSA-N	507.547	1.290	0	40	KDAB	
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F	9577349	ORQSHWUBDKDFCP-OAQYLSRUSA-N	506.531	1.658	0	40	KDAB	
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1OC	12541442	DISQGWYSYWAQLM-VOTSOKGWSA-N	512.562	1.623	0	40	KDAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1OC	13150590	OHZPISBHTAFUOG-NRFANRHFSA-N	507.595	1.463	0	40	KDAB	
Cc1cc(Cl)c2c(c1)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15959619	UBCMHGNPDGNOIC-SJFBNKFASA-N	510.934	1.563	0	40	KDAB	biogenic
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cccc(OC)c2)CC1	20084254	ZZEWGGJPIRJUKP-DEOSSOPVSA-N	519.562	1.810	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1F	224346047	DEUMPHLCKVZQKY-UHFFFAOYSA-N	513.613	1.567	0	40	KDAB	
COc1ccc(CN2CC3(C2)C(=O)N(CCCN2CCCC2=O)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12	225392935	KJLGKECYSUHRDA-OFNKIYASSA-N	506.603	1.219	0	40	KDAB	biogenic,in-vitro
CO[C@H]1C[C@@H](O[C@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4[C@H](O)[C@@H](O)[C@]4(C)[C@@H](C(C)=O)CC[C@]54O)C3)C[C@H]2OC)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O	253529811	UPGNUKWUJCJKHN-WURRFAKPSA-N	798.964	1.494	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	408702156	KGVVUXIICNNPHQ-KRWDZBQOSA-N	503.577	1.877	0	40	KDAB	
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2=O)cc1	14086217	FQHFSWUQIZXVJH-RUZDIDTESA-N	514.604	1.612	0	40	KDAB	
CN1C(=O)/C(=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)c2ccccc21	97949573	SVXIMYXNJTVBOR-QFJGBVITSA-N	536.617	1.965	0	40	KDAB	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1	100008824	COIMFWJDNKBBLJ-UHFFFAOYSA-N	538.604	1.474	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1n1nc(-c2ccncc2)n(C(C)C)c1=S	102489214	RNSUCGKBHJJDII-SALXWAHTSA-N	549.606	1.886	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224496455	IOGRDJYWYJHDRY-UHFFFAOYSA-N	581.713	1.628	0	40	KDAB	
CCCCC[C@H](O)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	253388195	VVUAHGLHHLVKDR-OZLSNHJBSA-N	740.925	1.314	0	40	KDAB	biogenic,in-vitro
CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(C)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253398323	GYNIGKVKBGLRRL-DXLYGPJMSA-N	577.682	1.923	0	40	KDAB	
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@]3(C)CO)[C@@H]12	253803622	GLQYFMRUYWFXGT-TZWHAUNMSA-N	813.035	1.385	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2CC[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O)c1	257332152	XVYDUZLEUHCCJQ-VURPSTOHSA-N	541.609	1.557	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569118	LZZKVIWUKLWLNY-MHLNXUHPSA-N	598.672	1.285	0	40	KDAB	
COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N5CCOCC5)c4)CO[C@H]23)c1	4147806	NFVWVJYKBUPERN-MYDTUXCISA-N	567.628	1.783	0	40	KDAB	biogenic,in-vitro
O=C(CNC1=NCCN1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)CNC4=NCCN4)cc3)cc2)cc1	4896359	YNBRFJZISKRKPU-UHFFFAOYSA-N	596.652	1.166	0	40	KDAB	
CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@@H]2S1(=O)=O	8876399	BVLVIFMBEXJMPU-ACIOBRDBSA-N	508.600	1.646	0	40	KDAB	biogenic
Cc1cc(Cl)c2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15959618	UBCMHGNPDGNOIC-LJZUKVSMSA-N	510.934	1.563	0	40	KDAB	biogenic
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23080611	YQZALSDOVSOKJH-UHFFFAOYSA-N	502.531	1.789	0	40	KDAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2CCOC)CC1	57608874	RKAFCVMSVZFLQA-NRFANRHFSA-N	500.556	1.543	0	40	KDAB	
Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1	96306506	ZQEJYGXGODIVAP-UHFFFAOYSA-N	515.412	1.991	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)c(N)n(Cc2ccccc2)c1=O	97982305	XEHVFNICMIAWLH-UHFFFAOYSA-N	585.646	1.838	0	40	KDAB	
O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	102888124	HBFLTBSRJQKPTH-UHFFFAOYSA-N	541.596	1.950	0	40	KDAB	
CS(=O)(=O)C(c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O)c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O	195755872	GBROKYIBLATWLT-UHFFFAOYSA-N	701.473	1.667	0	40	KDAB	
C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777562	VDNDJAZGDZNTOZ-LJQANCHMSA-N	554.065	1.656	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	222810612	FSWXBZMLBJPWAX-KRWDZBQOSA-N	505.593	1.786	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)NC(C)C	224465851	RTILRBHBTAOXFL-UHFFFAOYSA-N	541.648	1.212	0	40	KDAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)C(C)(C)n3cncn3)CCO2)ccc1Cl	585284191	HNVRSNNUMOVYTN-DEOSSOPVSA-N	506.003	1.901	0	40	KDAB	
COC(=O)c1c(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)sc2c1CC[C@H](C)C2	2644380	PUDJXVPENIPKDY-AWEZNQCLSA-N	549.631	1.492	0	40	KDAB	
COc1cc2c(cc1OC)-c1c(cnn1[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)CC2	5410413	CZORZRFQLNOLAY-NPHOHLEASA-N	560.556	1.922	0	40	KDAB	
NC(=O)c1cc(NC(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc(C(N)=O)c1	13145553	ORDAJCWYBZESJH-UHFFFAOYSA-N	502.483	1.596	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)[C@@H](C)O)cc1	35510829	SFTZKTMRGJIBQL-IZDJOXEWSA-N	521.617	1.889	0	40	KDAB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(N)=O)C(=O)O	70680326	CGAKIHUDGZMGAF-QZZGXKAUSA-N	560.644	1.587	0	40	KDAB	biogenic
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224228178	OEHNBFKAAOWJMT-INIZCTEOSA-N	527.621	1.058	0	40	KDAB	
O=C1NCCN(S(=O)(=O)c2ccc(Br)cc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1	9061023	KRRQOYCRUUYQSH-FQEVSTJZSA-N	521.437	1.677	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1	15544061	GSHUIAWHBGFOKD-HNNXBMFYSA-N	513.494	1.608	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NC[C@@H]1CCCO1)OCCO3	19940544	CEELTZKPWBRHFH-FQEVSTJZSA-N	502.637	1.877	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)cc1	40462762	FNWMNPWXFKKJJU-IBGZPJMESA-N	515.617	1.686	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1	103057882	YGDNRIMDWKXUEZ-NRFANRHFSA-N	531.606	1.981	0	40	KDAB	
COCCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)sc(C(N)=O)c1C	103137317	JWDKRRDAZLACGH-UHFFFAOYSA-N	583.641	1.547	0	40	KDAB	
Cc1cc(=O)oc2ccc(NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(C)C)cc12	103654512	UENUZLOKAUDHPG-BTGSAOCRSA-N	613.668	1.046	0	40	KDAB	
C=Cc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	150381746	APIFRRYVTYJXCG-QMDPSFKFSA-N	738.692	1.328	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C	1903846529	MMTWXUQMLQGAPC-JLFQYQQFSA-N	740.928	1.442	0	40	KDAB	
CN(CCc1ccccn1)[C@H]1[C@H](NC(=O)c2cnc(N3CCOCC3)nc2)C[C@@H](Oc2ccccc2)[C@@H]1O	2037884072	QXRAFWUQKNQUNR-XPGKHFPBSA-N	518.618	1.562	0	40	KDAB	
COc1ccc([C@H](C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC	12703261	YJRIMYYOACGGAN-HSZRJFAPSA-N	512.567	1.880	0	40	KDAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)s1	224461631	MPZQIWVEAMXINT-UHFFFAOYSA-N	542.402	1.813	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)[C@]2(C)CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	253529639	JDQAJUDONPAIME-AWEXMPHGSA-N	955.145	1.916	0	40	KDAB	biogenic,in-vitro
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C[C@@]12C	254194456	YURJSTAIMNSZAE-WMIWNVLVSA-N	801.024	1.120	0	40	KDAB	endogenous,in-man
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@H](O)[C@@]1(C)O	257623883	XOEUHCONYHZURQ-JAWIHPEASA-N	751.927	1.878	0	40	KDAB	
CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5cnn(C)c5)ccc4C(=O)N3)CC[C@@H]2O)CC1	514287604	QCGOYBJAVNJVTK-USJHEHEUSA-N	594.713	1.078	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565261	FGRQNJWYUWXAIO-XZOQPEGZSA-N	542.608	1.891	0	40	KDAB	
CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl	12541429	HIMAQQPEHXTZKN-LBPRGKRZSA-N	515.437	1.730	0	40	KDAB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032624	FLXSWCOTJLCPPK-UHFFFAOYSA-N	525.649	1.481	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982511	XWMUSYQTKPRCML-UHFFFAOYSA-N	532.557	1.179	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)C[C@@H](O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	118935262	TVKZNMSOZWTGQU-VAKBYJNHSA-N	554.633	1.426	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	224469330	UTQIQSUIZPYIGP-QHCPKHFHSA-N	539.676	1.756	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	224485100	ZGCSEVLHCOHJFV-QHCPKHFHSA-N	539.676	1.756	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643566281	BXEUYFFFDMGJOL-ZCVJKFOLSA-N	515.655	1.205	0	40	KDAB	
CC(=O)N[C@H](CSC[C@@]12OC(=O)[C@@]34C(=O)[C@]5(C)[C@@H]6CC[C@H](C)C[C@@H]6C=C[C@H]5[C@@](C)(O[C@@]13O)[C@@]4(O)C[C@@H]2C)C(=O)O	1772591791	PGDVYHDYILYGOA-DAJHAUJTSA-N	577.696	1.667	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O	2332242340	IAGSHEHQJJTLLR-JWTSZTQOSA-N	883.082	1.984	0	40	KDAB	
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@@H]12	2743783	ZOPFOHDSFBKCKW-BONVTDFDSA-N	545.466	1.970	0	40	KDAB	
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	4994461	HZASFOJVNSQXLC-YTFSRNRJSA-N	513.591	1.705	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21	5665514	LHBZUQKAJBVIPP-BUOYGBHESA-N	574.996	1.631	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6905023	HDHLXKMFTPSIKK-HXUWFJFHSA-N	513.576	1.992	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6905120	RUAGMRSNSWIBKR-NRFANRHFSA-N	541.586	1.755	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1Br	8619397	RVHHUTDEYCUBRL-GFCCVEGCSA-N	533.343	1.031	0	40	KDAB	
O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	12694019	AHLRXNTXZQBWTL-UHFFFAOYSA-N	523.995	1.993	0	40	KDAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc(OC)c1	13150517	QVADQTHGKSZEFV-QHCPKHFHSA-N	507.595	1.463	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1	13525548	NKALNJGJYCNIOW-INIZCTEOSA-N	507.030	1.707	0	40	KDAB	
CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3OC)CC2)cc1	19818689	GKBFUGQDFKJWJU-QHCPKHFHSA-N	509.607	1.572	0	40	KDAB	
COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1	59923212	PLYKNYJZLWWOAL-UHFFFAOYSA-N	539.632	1.130	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97985349	WAEKSZJQJUDRCQ-WJGLBBAVSA-N	565.553	1.736	0	40	KDAB	
COc1ccccc1N1C[C@H](C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1=O	103038462	KSFZDQGCEFIPMK-GOSISDBHSA-N	542.637	1.284	0	40	KDAB	
CN1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)CC1	224482811	HELREIQITJDENZ-UHFFFAOYSA-N	587.120	1.106	0	40	KDAB	
COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@H](O)[C@@H]1O	247847874	NLFUQHCGODFTIB-SWMGYARASA-N	911.140	1.743	0	40	KDAB	biogenic,in-vitro
CCOc1cc(CNC[C@@]2(O)CCCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585272683	LWFKRTQOOCQTDT-MHZLTWQESA-N	514.671	1.773	0	40	KDAB	
C[C@@H]1CCOCCCOC(=O)CCOCCC(=O)OCCCOCCCOC(=O)CCOCCC(=O)O1	5519698	QKMBHZGCGSQACL-OAQYLSRUSA-N	534.599	1.749	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1OC	8448688	BCGFTYIHEMNDGI-IAERKFLBSA-N	522.579	1.567	0	40	KDAB	
COC(=O)c1sc(S(=O)(=O)NCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C(=O)OC)c1C	16043683	AWPKFKUOSFRPRX-CYBMUJFWSA-N	512.562	1.329	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCO2	101264788	FYHBRGDBKLEORK-FQEVSTJZSA-N	547.534	1.912	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	250512830	ODPZJAAJIRYNEL-PVIWCNJMSA-N	538.506	1.068	0	40	KDAB	
CCOc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCCN1CCOCC1	585273764	RQOQECBGYKBTMI-FKDDUOCFSA-N	505.656	1.805	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572995	LLSPZWYIDMLEOA-LWTLJRRESA-N	657.772	1.432	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]4C2)OC[C@H](O)[C@H]1OC(C)=O	1529054402	GBPDDYORNLOZID-NWSAMOPYSA-N	841.001	1.230	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c(=O)n(C)c1=O	3351790	PJYGXBZNTQOJKD-UHFFFAOYSA-N	528.447	1.972	0	40	KDAB	
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2	3376897	RMASKSHEAIFBII-QFIPXVFZSA-N	506.533	1.349	0	40	KDAB	
CC(=O)N[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1)c1ccccc1	32999703	QIWUHOVOPBVIKU-HSZRJFAPSA-N	529.663	1.665	0	40	KDAB	
CCCCC[C@H](O)[C@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C\C=C/C=C\C=C\C=C(\C)[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1O	57680542	IMQSIXYSKPIGPD-UBBDHXBSSA-N	654.838	1.888	0	40	KDAB	in-vitro
COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(S(=O)(=O)N2CCOCC2)c1	102927906	WAWAIFNCPFZMMH-UHFFFAOYSA-N	556.688	1.546	0	40	KDAB	
CCc1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	150381738	XEQWGLUCZUVJEG-FRNMIVODSA-N	740.708	1.248	0	40	KDAB	
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@H](C)CC	253388437	VLOGACFISZMMCN-PUMRUUQGSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
CCn1c(CCCC(=O)N2CC[C@](C)(O)[C@@H](n3cnc4c3c(=O)n(C)c(=O)n4C)C2)nc2ccccc21	257286682	PMOBWWFOFXNRIX-SIBVEZHUSA-N	507.595	1.351	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(C(=O)O)cc4)C[C@H]3C(=O)NC[C@H]1O2	514287420	APRRSADFPLBGKJ-CFJXPYFLSA-N	564.639	1.662	0	40	KDAB	
CN1CCN(CC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)CC1	1615108278	SEBMJOPKKPTQAB-KWXIBIRDSA-N	551.732	1.441	0	40	KDAB	
CC(=O)N[C@H](CSC[C@@]12OC(=O)[C@@]34C(=O)[C@]5(C)[C@@H]6CC[C@H](C)C[C@@H]6C=C[C@H]5[C@@](C)(O[C@@]13O)[C@@]4(O)C[C@H]2C)C(=O)O	1772591793	PGDVYHDYILYGOA-VQZQYIRPSA-N	577.696	1.667	0	40	KDAB	
C[C@@H]1O[C@@H](CO[C@@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3C=C[C@@]35OC[C@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@]45C)[C@H]2CO)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000929	GPRYEOJEOMZURB-WQMBKWFRSA-N	795.020	1.677	0	40	KDAB	
CCOc1ccc(CCNC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1OCC	38140465	FUYLNMXLZNTJKL-UHFFFAOYSA-N	533.607	1.037	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Sc2cccc3cccnc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	85893767	BPOPUDQXFXCWAW-RUHGZLLJSA-N	779.770	1.947	0	40	KDAB	biogenic
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl	224447213	HOTSWNQOGAVTFT-UHFFFAOYSA-N	566.485	1.976	0	40	KDAB	
CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)NCCOC)c12	409149068	WSCITXQIBITZNK-MOSHPQCFSA-N	514.604	1.861	0	40	KDAB	
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC	601014224	CLEGFGKFODRAPQ-BDXSIMOUSA-N	542.630	1.883	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567556	LNZSEGSSSWRTLM-KYJUHHDHSA-N	643.741	1.608	0	40	KDAB	
O=C(c1ccc(O)nn1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580790	RURNOFWVSQTJID-FCHUYYIVSA-N	513.595	1.141	0	40	KDAB	
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@@H](O[C@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2060989912	SLAWMGMTBGDBFT-KJJWYBJNSA-N	801.024	1.120	0	40	KDAB	
COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)N(C(C)=O)C2)cc1	4200874	JSLUAPQVUWETHV-NMNUPHIUSA-N	506.563	1.500	0	40	KDAB	biogenic,in-vitro
C[C@H](O)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)O	12866548	MEDFAQGSENSRJO-JHVJFLLYSA-N	516.595	1.793	0	40	KDAB	biogenic
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)cc1	67924193	LLEMSCWAKNQHHA-IWXJPZPUSA-N	659.773	1.686	0	40	KDAB	biogenic,in-vitro
CC(C)(C)CC(=O)N1C[C@@H]2CN(CCO2)C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(C(F)(F)F)cc2)NC(=O)C[C@@H]2O[C@H](C1)[C@@H](O)[C@H]2O	97976517	ALRJTOIJEDKADC-VTMLMQFPSA-N	640.700	1.150	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@H]([C@H](OC)[C@@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	100392842	HRNMOJZLZGYPOJ-UAAWDXRASA-N	521.651	1.644	0	40	KDAB	biogenic,in-vitro
COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700821	AOBFAKXGSRAXNG-NRFANRHFSA-N	533.647	1.656	0	40	KDAB	
C[C@@H](C[C@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)O)CCOCCOCC1)C(=O)O	584905900	XBBJVBAFVSRBOC-MYGLTJDJSA-N	546.658	1.217	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	1088603865	JEPURZRNABGOCW-WAHOFHFDSA-N	821.715	1.970	0	40	KDAB	
CNCCN(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2ccc(N3C(=O)C=CC3=O)cc2)C(C)C)cc1	1777699023	BEYGPHVYYUHOQW-ZQAZVOLISA-N	734.855	1.939	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	3402256	CHZHDMOARHFOIS-JPOLKSPQSA-N	547.680	1.567	0	40	KDAB	
CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@]12C(=O)N(CC(=O)OC)c1ccccc12	9695172	HILFENOBRMEFCI-VWLOTQADSA-N	502.520	1.451	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O	12529405	WWXMXKNRUKILHB-UHFFFAOYSA-N	529.425	1.776	0	40	KDAB	
CC(C)CN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	12903959	BQADINOIEXZRRO-UHFFFAOYSA-N	527.669	1.089	0	40	KDAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)CC1	100859781	PRQCGHUUOXJVPA-GYHWCHFESA-N	566.683	1.847	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1	222547929	RKZZDXCXYPLSNS-LJQANCHMSA-N	509.650	1.807	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2C[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1	257299045	ROLWIWKEJZWDMD-BWPNAZKDSA-N	527.582	1.167	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339422	UVIIFDXFOSOVOQ-LFRJMLHLSA-N	510.492	1.218	0	40	KDAB	
CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	8876369	FLRUXAUWDKIEPL-QLALSQPASA-N	533.662	2.000	0	40	KDAB	biogenic
CSCC[C@@H](NC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O	15999056	KTCGAIUTVCWFPT-WOJBJXKFSA-N	513.682	1.859	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851979	ZSOFLZFSDNOBNM-UHFFFAOYSA-N	551.687	1.967	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873625	GTNJXMQYAWLUTA-JSOFMQCWSA-N	582.726	1.926	0	40	KDAB	
C[C@H]1CN(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)C[C@@H](C)O1	102924317	CSFXNNNPOCCERY-FEUHHVOASA-N	537.616	1.327	0	40	KDAB	
CCOc1ccc(S(=O)(=O)NNC(=S)NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	102927961	AQSNXLRQMNCVPI-LFYBBSHMSA-N	554.672	1.004	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(C)C[C@H](O)[C@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@]4(C)CC[C@]34C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	247663381	UPADPCUOTDTWHH-RWMCKDOZSA-N	768.982	1.752	0	40	KDAB	biogenic,in-vitro
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCCN)cc3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257288764	PVNPRRLHYZVQCJ-CVDCTZTESA-N	551.438	1.826	0	40	KDAB	
C[C@H](C(=O)N1CCOCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	4018344	TZYATJMWCMLGDI-WOJBJXKFSA-N	576.606	1.060	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6547139	HBNCSSXLWSEWIW-IBGZPJMESA-N	515.548	1.802	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O	14134960	XRYVEYGNLOPADV-XMMPIXPASA-N	514.560	1.648	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1O	67903592	DRZYJIXQEOTQDA-BQHXHKGHSA-N	666.849	1.405	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	85508519	LUTPIRPNUNHFEV-ZKBWLWPRSA-N	652.690	1.863	0	40	KDAB	biogenic,in-vitro
CCOC(=O)/C=c1\s/c(=C/c2ccc(OC(F)F)cc2OC(F)F)c(=O)n1CC(=O)N1CCOCC1	102964425	HRAGAFCOZHQBFB-XKUDZPGJSA-N	534.484	1.144	0	40	KDAB	
NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	103057105	VTQSIUQGLQYAIA-UHFFFAOYSA-N	536.632	1.654	0	40	KDAB	
COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)N(C)C[C@@H](COC(C)=O)OC(C)=O)c1I	150351032	VJZHCBDXXCGMJR-IRXDYDNUSA-N	959.263	1.877	0	40	KDAB	in-vitro
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223442933	PLTKCILATNILQC-FQEVSTJZSA-N	505.593	1.786	0	40	KDAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)OC(C)(C)C=C4)cc1	1615811143	WNTBDGJNPGBIQF-USUUFNPDSA-N	658.653	1.417	0	40	KDAB	biogenic
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2C)cc1	15019507	TYKOHKJKTOVNDN-FQEVSTJZSA-N	528.610	1.867	0	40	KDAB	
COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1	46085976	MYRCKBKJEXNRPM-IBGZPJMESA-N	515.563	1.239	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	67337153	ALZFHPQENWHVQY-UHFFFAOYSA-N	524.043	2.000	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OC[C@H](O)[C@H](C)CC(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	100604253	PYYBXMVTBWYBDY-RUOSYZOFSA-N	548.629	1.364	0	40	KDAB	
COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CN(C)S(C)(=O)=O)cc1OC	222894690	CSKZWMLKKRCZSD-KRWDZBQOSA-N	509.600	1.810	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1ccc(O)nc1=O	257341099	ZIVFZYISIWTLKS-LVXARBLLSA-N	526.590	1.338	0	40	KDAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CC(=O)N[C@H](C(C)C)C(=O)N1	643565528	ITELJPVWHQAJHC-NHCICSSKSA-N	517.671	1.307	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCNC1=O	643568547	VNHNPMWHDRCYOV-WMZHIEFXSA-N	637.660	1.141	0	40	KDAB	
Cc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@@H]23)cc1Br	98045686	JTAVMWGYKAFSOQ-LRDDRELGSA-N	525.410	1.426	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	100971936	BMXPGGCERMBIJD-QGZVFWFLSA-N	534.572	1.542	0	40	KDAB	
COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl	224493198	KBQYSXOQMMBVHA-UHFFFAOYSA-N	518.997	1.505	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)CN(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585279684	FPAASYURNFDRPA-LJAQVGFWSA-N	554.644	1.450	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	669679253	YURJSTAIMNSZAE-AKAKJIDVSA-N	801.024	1.120	0	40	KDAB	
CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@H](n2cnc3c2c(=O)n(C)c(=O)n3C)[C@@](C)(O)C[C@@H](O)C1	2037879980	CYJIOKXPXDUIGG-HHDDECEMSA-N	551.648	1.273	0	40	KDAB	
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1	2060990629	LBPZKMZBSNQRII-MXLPIJJBSA-N	578.699	1.998	0	40	KDAB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	5047687	VRWIMNXQXLLYDR-RJGXRXQPSA-N	529.590	1.411	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6905067	VTEZODPFXFEXEA-FQEVSTJZSA-N	529.550	1.885	0	40	KDAB	
CC1(C)O[C@H]2[C@H](COC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)O[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	8740020	NCRHFKAHKVXKCU-UGKANONSSA-N	515.519	1.299	0	40	KDAB	
O=C(O)COCC(=O)NCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	22059627	FUSNDBPWHVPFDU-UHFFFAOYSA-N	530.574	1.792	0	40	KDAB	in-vitro
CC(=O)N[C@H]1[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCCC4)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70670150	KFBDAOUCKDPYAP-CXTGUETESA-N	545.541	1.707	0	40	KDAB	biogenic
COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1S(=O)(=O)N1CCOCC1	140002665	BRLGYGORIOWVNA-LJQANCHMSA-N	546.023	1.535	0	40	KDAB	
CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)[C@@H]3NC(=S)NC3=O)c2CC)c(CC)c1NC(=O)C(=O)[C@@H]1NC(=S)NC1=O	150437127	JLUONRVVXLJHMI-GOTSBHOMSA-N	650.783	1.288	0	40	KDAB	
O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	195529862	CXIBFANOJADLNG-NSHGMRRFSA-N	505.593	1.238	0	40	KDAB	
CCOc1cc(N)c(Cl)cc1C(=O)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)[C@@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O	1569996474	MXOZOSCURHXPKN-IPZQTHRPSA-N	612.007	1.547	0	40	KDAB	
COc1c(OC)c([C@]2(O)C(=O)N(C)c3ccccc32)c2c(c1[C@]1(O)C(=O)N(C)c3ccccc31)OCO2	1612072	FWPKQBNHQLCXLY-SVBPBHIXSA-N	504.495	1.857	0	40	KDAB	
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	12886654	UKGGRHCSQHWUHP-FDFHNCONSA-N	506.559	1.690	0	40	KDAB	biogenic
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	23352013	XTXQCFFEIHRPDM-UHFFFAOYSA-N	502.593	1.193	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C	36387467	IIVQFXXEDPCTDV-GMAHTHKFSA-N	517.604	1.446	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	256119755	VNONINPVFQTJOC-IQBCTABYSA-N	869.055	1.242	0	40	KDAB	
CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1	260888102	HHNVNXNVLLDTJG-QGZVFWFLSA-N	513.638	1.685	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408606203	ODDSEGZROIDKEK-UHFFFAOYSA-N	538.022	1.813	0	40	KDAB	
COCCCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643564845	JEXHSHADJUISHC-BHDDXSALSA-N	518.655	1.782	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6905122	WSDSORXSGVVCPA-FQEVSTJZSA-N	527.559	1.712	0	40	KDAB	
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O	14109483	OUTILJWVZZHSNI-XMMPIXPASA-N	518.567	1.525	0	40	KDAB	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	102974392	OTZKPYYXMRWMGH-HXUWFJFHSA-N	571.743	1.916	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6[C@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]45C(=O)O)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O	253500605	CPLXLUNIGVIJMQ-XDMIFYIZSA-N	941.118	1.682	0	40	KDAB	biogenic,in-vitro
NC(=O)CC[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643567786	WFDCDTDUTKEOAK-DQEYMECFSA-N	625.698	1.218	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N(C)CCCC(=O)N(C)CC(=O)N1	643571913	QGDZDAULZIFANC-AHWVRZQESA-N	623.755	1.334	0	40	KDAB	
CN1CCc2nc(C(=O)NC3=C(NC(=O)C(=O)Nc4ccc(Cl)cn4)CC[C@H](C(=O)N(C)C)C3)sc2C1	1560410680	FJFNUPSRKJURKH-ZDUSSCGKSA-N	546.053	1.764	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1	2299236	PORUIWYDZLVUMQ-XLXASQRYSA-N	508.552	1.177	0	40	KDAB	
O=C(c1ccco1)N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@@H]2CCCO2)CC1	6445838	HNYQBNYRPPOFFZ-SBUREZEXSA-N	533.545	1.563	0	40	KDAB	
CN(C(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152200	ZLHJERRRNQDZQL-UHFFFAOYSA-N	530.463	1.742	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	59838772	APRBCSMKUZLROH-OAQYLSRUSA-N	551.687	1.823	0	40	KDAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c2ccccc2O1	222831715	FDWWWLFDENUGPV-FQEVSTJZSA-N	510.952	1.707	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1	224462633	QYQCCGBUZVTZJE-UHFFFAOYSA-N	543.639	1.588	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643913480	ZHHUIPUTYGVQOB-UIOOFZCWSA-N	563.699	1.698	0	40	KDAB	
O=C(NCc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12	4147786	UGMZIMLRYQBRDP-MYDTUXCISA-N	507.551	1.509	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6547154	KEKVQPRNCMSCDF-SFHVURJKSA-N	503.512	1.932	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838182	HTLIJOSNPDGNLS-INIZCTEOSA-N	546.067	1.743	0	40	KDAB	
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1	67337714	NKYGQWFNADXPOM-KRWDZBQOSA-N	524.043	2.000	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@@H](O)[C@@H](O)[C@H]1O	85924064	PLORCKNHUZJPKH-RNVQDZKTSA-N	580.542	1.953	0	40	KDAB	in-man
CO[S@](=O)(=S)CCNC(=O)[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	169810999	WWCPISCDFZLLAA-IMCYXIHJSA-N	743.012	1.989	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)NCCO)c2ccccc2)cc1	223506743	HHQHNMZLRYWREK-LJAQVGFWSA-N	597.690	1.974	0	40	KDAB	
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	224330455	HJJOZPMDXVIUDZ-UHFFFAOYSA-N	550.703	1.357	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H](c3cccnc3)c3sc(=O)[nH]c3S[C@H]12)N1CCOCC1	253387568	XDIYADHIPATDPF-IHLHHUONSA-N	512.613	1.164	0	40	KDAB	
C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	253603715	KRQDMAXNTWLTDZ-RBXJOSRZSA-N	721.929	1.963	0	40	KDAB	endogenous,in-man
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	408702157	KGVVUXIICNNPHQ-QGZVFWFLSA-N	503.577	1.877	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643565988	TTXLYDSJQQZCAY-RPWUZVMVSA-N	554.644	1.809	0	40	KDAB	
CC/C=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@@H]12)c1csc(N)n1	11616458	WVPAABNYMHNFJG-YNGVAUNCSA-N	567.646	1.358	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3F)NC(C)=O)CC2)cc1	13565642	IOPBNMDMAWOYFW-HSZRJFAPSA-N	504.584	1.801	0	40	KDAB	
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O	15721523	ZHAGGRWTJXROKV-HJOGWXRNSA-N	505.575	1.085	0	40	KDAB	
NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	16009949	JZNCEZGBNNZBDQ-YHZQYDDPSA-N	500.486	1.798	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1	22609772	FKRGCZICQRPVQW-HSZRJFAPSA-N	509.607	1.177	0	40	KDAB	
Cc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2=O)cc1	32971938	QKRHPLAKWQFGJZ-IBGZPJMESA-N	526.638	1.584	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	70701404	VMRFIHOXIDPZJS-OZLNXOMTSA-N	541.004	1.894	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)CC2)cc1	96021401	VUVIUIHKTOAXJC-SANMLTNESA-N	542.614	1.456	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692703	QKPHMWUSYGCZRT-VNGQLYDISA-N	574.535	1.985	0	40	KDAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)N1CCOCC1	106769720	YJKNTWABKWTSDM-ZHZULCJRSA-N	503.577	1.982	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)c(OC)c3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(OC)c(OC)c1	143279824	DTROBLZEAWTRIP-CLMUKVTESA-N	596.658	1.975	0	40	KDAB	
COc1ccc(N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)S(C)(=O)=O)cc1	224050419	CKGXKLRVTIVJQG-UHFFFAOYSA-N	541.648	1.910	0	40	KDAB	
C[C@]1(O)CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[C@@H]1Oc1cccc(F)c1	257338895	YZIGVBRIUCLJMZ-UPVQGACJSA-N	507.584	1.689	0	40	KDAB	
COc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCOCC5)c(C)c34)CC2)ccc1OCC(N)=O	585293346	VGINQKMDOCQJMP-UHFFFAOYSA-N	554.673	1.843	0	40	KDAB	
CC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21)=C1C(=O)N(C)C(=S)N(C)C1=O	9128868	PSYNZMOIPUHHQM-KRWDZBQOSA-N	524.603	1.150	0	40	KDAB	
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)nc2n1	13138059	ZAVUWAWSPDBSGK-UHFFFAOYSA-N	508.944	1.211	0	40	KDAB	
Cc1ccnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1	56992074	TYUGMZZOGXIDDT-UHFFFAOYSA-N	506.636	1.647	0	40	KDAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	57642731	GOYTUYMYLIFCHJ-UHFFFAOYSA-N	520.502	1.738	0	40	KDAB	
COc1cc(C)c2c(=O)cc(C[C@@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C\c1ccc(O)cc1	238777304	OUGNWRCWQLUXHX-QOCBMUQDSA-N	556.564	1.518	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)CN[C@H](C)[C@H](O)[C@@]1(C)O	245204825	HRKNNHYKWGYTEN-BWAOULMDSA-N	734.969	1.559	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC	245229723	DURWVYJGVQVMMN-OHUGHZGNSA-N	554.604	1.994	0	40	KDAB	
COc1cc([C@@H](CC(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	524730958	DRDGSQJTPIBKFL-DFQSSKMNSA-N	549.580	1.814	0	40	KDAB	biogenic
CC(=O)N1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1	643586417	VDAKXNPJUBUISV-DQFDVREHSA-N	546.709	1.678	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CNCCCn2nc(C)cc2C)CCCCOC[C@@H](O)[C@H]1O	643586631	CLWGFCJJAUHICU-IYUNARRTSA-N	553.745	1.119	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	6546815	YOCFUDDPPMHRKC-HXUWFJFHSA-N	545.574	1.810	0	40	KDAB	
Cc1ccc(NC(=O)CNC(=O)C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1	9013063	WNFGLMOKDSZFJJ-IBGZPJMESA-N	500.621	1.964	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c1	12694503	LUDVIRXZNWNTOB-UHFFFAOYSA-N	509.606	1.390	0	40	KDAB	
Cc1cc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Br	19831435	AAYYWUHRPNNTTG-UHFFFAOYSA-N	509.426	1.819	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1	32960691	PXOUYSGGUXEOOC-UHFFFAOYSA-N	507.613	1.357	0	40	KDAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O	102058918	NMDALIGPSXAUAQ-ZNZIZOMTSA-N	638.766	1.099	0	40	KDAB	
O=S(=O)(O)CCS[Sn](SCCS(=O)(=O)O)(c1ccccc1)c1ccccc1	195910390	KLEVWYJKPSUCNW-UHFFFAOYSA-L	555.309	1.485	0	40	KDAB	
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(OC(F)(F)F)cc3)N1)[C@@H](O)[C@H]2O	225445396	HLCJCNIYMYRUMR-NJYDEKLYSA-N	684.659	1.545	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O	252394537	POXCHDLYCJFKBU-DCIOMXRHSA-N	577.679	1.039	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	263583686	TUVXUUXKYMTPSP-QUIDBKOFSA-N	983.155	1.277	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N1	643568240	SPOMOSOMJDZHKX-RZFJZAQRSA-N	609.079	1.621	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4cc(C(F)(F)F)n(C)n4)[C@@H]3SC2)s1	2784470	UBCVIZOUWJWXJW-HZMBPMFUSA-N	520.540	1.743	0	40	KDAB	
CCC[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6501210	QRNWGLGYBPLDCQ-GJZGRUSLSA-N	503.581	1.659	0	40	KDAB	
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)Nc1ccc(F)cc1F	8636287	UKIBWVQIHKHBRF-PABCKOPISA-N	508.497	1.454	0	40	KDAB	biogenic,in-vitro
CC/C=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@@H]12)c1csc(N)n1	11616456	WVPAABNYMHNFJG-HAEFYBIUSA-N	567.646	1.358	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O	38139988	ZDTDTQOXWAEZGP-FKBYEOEOSA-N	538.626	1.787	0	40	KDAB	biogenic
O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1	38144986	DKWCRVDEFICSDZ-UHFFFAOYSA-N	569.669	1.984	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1	38784410	IEPGNXGKKLHZCZ-QHCPKHFHSA-N	510.570	1.262	0	40	KDAB	
CCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	70712316	YBXSCTVUXLDXFV-MRPKTGBJSA-N	578.644	1.934	0	40	KDAB	biogenic
COCCN(C(=O)COC(=O)Cc1coc2cc(OC)ccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982468	AAECTSHPEFZJMV-UHFFFAOYSA-N	536.541	1.687	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	113490906	XDFYFJFESWMAEF-UHFFFAOYSA-N	530.600	1.107	0	40	KDAB	
CCc1cc(Cc2cc(Cl)c(NC(=O)C(=O)[C@H]3NC(=O)NC3=O)c(CC)c2)cc(Cl)c1NC(=O)C(=O)[C@@H]1NC(=O)NC1=O	150437224	WRTFESHREWUTSL-KDURUIRLSA-N	631.429	1.140	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC[C@]2(C)O)n(C)c1=O	257244150	IKCYDYAPAMZWPI-NYHFZMIOSA-N	519.484	1.027	0	40	KDAB	
C[C@H](C(=O)[C@H](N)[C@H](Cc1c[nH]c2ccccc12)C(=O)[C@H](N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](N)C(=O)[C@H](Cc1c[nH]c2ccccc12)[C@H](N)C(=O)[C@@H](N)Cc1cnc[nH]1	575319559	UHERAKUKXITLHD-UNOWNFRCSA-N	929.140	1.140	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566988	NTFTWYDIQVVAQK-VDYGARQYSA-N	568.646	1.657	0	40	KDAB	
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)c1cnccn1)CC2=O	958317751	JYRRJQOMPFOWDW-SFTDATJTSA-N	507.591	1.685	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6905018	WSDSORXSGVVCPA-HXUWFJFHSA-N	527.559	1.712	0	40	KDAB	
CCOC(=O)c1cnc(SCC(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nc1N	12524916	NTQAFVPYXMYAGS-HNNXBMFYSA-N	514.626	1.219	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140491	NCSSCXXCJFCUAF-UHFFFAOYSA-N	540.581	1.050	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC[C@H](CC(=O)OC)c4ccccc4)CC3)nc21	98006023	WNSYIADZHXFUOW-SFHVURJKSA-N	538.630	1.853	0	40	KDAB	
COC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@@H](C)C(=O)OC)CCOCC1	101102716	VGEUTDRVGKPAOX-YSFYHYPLSA-N	530.659	1.378	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2COC3(CCN(C(=O)CCCc4nc5ccccc5n4C)CC3)C[C@@]2(C)O)n(C)c1=O	257324258	WNWWSVFKJYSKGP-LYZGTLIUSA-N	563.659	1.417	0	40	KDAB	
COCCCNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643564684	AHEUHXUBCXTOEJ-MIZPHKNDSA-N	504.628	1.392	0	40	KDAB	
Cc1c(-n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	3340927	BWBJSKIFZULHLL-LJQANCHMSA-N	553.666	1.921	0	40	KDAB	
CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl	3380246	DJGZOTGACXONNH-SSDOTTSWSA-N	505.174	1.812	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6905134	NKHLSINJBGUPPU-FQEVSTJZSA-N	513.576	1.992	0	40	KDAB	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1	14951652	ZEXLJFNSKAHNFH-HPWVJBTOSA-N	610.715	1.675	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1	22835189	QSVMTNDNEAHICU-WBMJQRKESA-N	510.878	1.556	0	40	KDAB	
O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NC(=O)[C@H]1COc2ccccc2O1	34873142	GHKWBKHSSNCDDA-QFBILLFUSA-N	508.936	1.519	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1OC	35807091	YFTHXKRDOWJZIO-FKRWJQPVSA-N	526.977	1.504	0	40	KDAB	biogenic
CC(=O)O[C@]12CO[C@@H]1C[C@@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C	84459780	YWLXLRUDGLRYDR-YLPZXOTFSA-N	544.597	1.082	0	40	KDAB	
CC(=O)Cn1c(N2CCN(CCn3c(C)cn4c5c(=O)n(Cc6ccc(F)cc6)c(=O)n(C)c5nc34)CC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C	150455420	YCOHTOGHCKXTMU-UHFFFAOYSA-N	767.798	1.454	0	40	KDAB	
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O	169722832	COPKVYLOESRZRV-UHFFFAOYSA-N	894.059	1.251	0	40	KDAB	
C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222856698	LQDDXNDJHFTVPU-GBXCKJPGSA-N	563.648	1.938	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	225079412	LGSUVLUBVFOLKW-UHFFFAOYSA-N	538.692	1.761	0	40	KDAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1I	408548681	LCKLGDJYQDWUOB-WUXMJOGZSA-N	614.130	1.903	0	40	KDAB	
COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@](O)(COc2cccc(F)c2)C1	585281853	CQWSXKLJWILTSJ-HHHXNRCGSA-N	519.589	1.897	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCNC1=O	643568631	YPAYVYPFKDYPHS-WAKHXKBOSA-N	664.804	1.250	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1OC	860080	BCGFTYIHEMNDGI-STIKNRRDSA-N	522.579	1.567	0	40	KDAB	
NC(=O)CNC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	4016600	IJBJZNHVCMJTNM-RPBOFIJWSA-N	548.596	1.182	0	40	KDAB	
Cn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	12712144	AKXKSKCGHTYKLS-UHFFFAOYSA-N	517.589	1.932	0	40	KDAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1	19933610	BBJVPCCFWURDIF-UHFFFAOYSA-N	505.578	1.999	0	40	KDAB	
CCCOC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	25423465	LNFCPFKWIGJION-UHFFFAOYSA-N	503.577	1.970	0	40	KDAB	
COc1ccc(-c2cc(CO[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1	100238938	RSFOBATZWJSMJB-VMAPGKTHSA-N	535.502	1.950	0	40	KDAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)N1CCCC1	106711390	HECRRNMWQLHZEG-ZHZULCJRSA-N	503.577	1.982	0	40	KDAB	
COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409130227	KVKOPWXQOXQJPL-OQLLNIDSSA-N	546.339	1.738	0	40	KDAB	
CC(=O)N1CCN(C(=O)c2cccc(OCC(=O)O)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)C1	643551550	RQAPGATYABRNDF-DGWZTRNLSA-N	538.638	1.404	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	2038179424	YAQKKPAGOYYBGW-GUFXWQBVSA-N	596.630	1.229	0	40	KDAB	
NCCCCCC(=O)OC[C@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@H]1O	2041544842	FYZDYCPLLSEHER-QVXINJLESA-N	545.541	1.120	0	40	KDAB	biogenic
C[C@H]1O[C@H](O[C@H]2[C@@H](O[C@@H]3C[C@@]4(C)[C@@H](C[C@H](O)[C@@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]54C)[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	2061000743	JBGYSAVRIDZNKA-VNPYZCJHSA-N	801.024	1.359	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)NCCCO	13606963	IWJURPHURGHERZ-FYSMJZIKSA-N	515.607	1.505	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1	15997097	NUERHNCURYGMOC-GCJKJVERSA-N	501.605	1.713	0	40	KDAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080170	JLARNDZAFJYIIF-CVDCTZTESA-N	519.562	1.843	0	40	KDAB	
O=C(c1ccco1)N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@H]2CCCO2)CC1	95626330	HNYQBNYRPPOFFZ-UZUQRXQVSA-N	533.545	1.563	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c(=O)[nH]c1=O	103024696	DWCYDFGGPJIYFH-CALCHBBNSA-N	537.639	1.010	0	40	KDAB	
CC(=O)OC[C@@H](CNC(=O)c1c(I)c(N)c(I)c(C(=O)N(C)C[C@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O	150342747	HEHGJKXXZCQSIS-HUUCEWRRSA-N	887.200	1.874	0	40	KDAB	in-vitro
CCc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224287941	IZXVEUUXLQRUKH-UHFFFAOYSA-N	509.650	1.995	0	40	KDAB	
CNC(=O)c1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC	224389553	URZYQWAOCWRSDN-UHFFFAOYSA-N	511.622	1.587	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224484187	LWLLFQPCCBYYKI-KRWDZBQOSA-N	529.612	1.196	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	244909668	AQKPXOWLUQPPRH-AQGODMAPSA-N	531.514	1.661	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1	13029972	BXPNLBUQOKOUTH-UHFFFAOYSA-N	516.601	1.701	0	40	KDAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1	13564871	KKJAHQZIIYTDJC-JOCHJYFZSA-N	507.595	1.463	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1S(=O)(=O)N1CCOCC1	103128614	JUWQUXXTHHVHQI-CRICUBBOSA-N	528.587	1.573	0	40	KDAB	
COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700685	UJSHPROXOIIJEC-FQEVSTJZSA-N	519.620	1.266	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O	253387678	GNBHVMBELHWUIF-JMTDQOONSA-N	593.766	1.316	0	40	KDAB	biogenic,in-vitro
COc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cccn3C)[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1	4200997	LKRRJAHVAJPWQJ-ZDXQCDESSA-N	532.601	1.651	0	40	KDAB	biogenic,in-vitro
O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=S)NCCCN1CCOCC1)OCCO3	19940548	MJTNSMJZRYJPGX-FQEVSTJZSA-N	502.637	1.877	0	40	KDAB	
Cn1c(N)c(C(=O)CSc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c(=O)n(C)c1=O	25703400	OYDQWROWAGTJBZ-UHFFFAOYSA-N	516.649	1.357	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	83260830	QBFVABHSGIIDPA-USYVTKNRSA-N	502.314	1.484	0	40	KDAB	
CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2CC(=O)OC)NC(=O)N[C@H]1c1cnn(CC)c1	98046219	XDLAIKNWNQZUND-FQEVSTJZSA-N	526.575	1.749	0	40	KDAB	
C[C@]12CC[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CCOC3=O)CC[C@@]12O	118915660	ACLJAFRNPZVVIW-SSKYULDZSA-N	536.662	1.429	0	40	KDAB	in-vitro
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@H](C)O)C(C)C)C(C)C	306146169	BXIFNVGZIMFBQB-WUZHVABYSA-N	877.053	1.225	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)CC1	409198246	APOLDGKYJNMHJJ-UHFFFAOYSA-N	535.619	1.904	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566830	XPMGJLPAZMBKPY-OFVILXPXSA-N	549.672	1.833	0	40	KDAB	
NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1	709461	JGTKPJZNVORVPL-KRWDZBQOSA-N	510.376	1.729	0	40	KDAB	
O=C(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	8397502	YVYIUFKUNOBWIF-UHFFFAOYSA-N	580.685	1.476	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C(C)C)cc1	8774562	YTSVCILRWRXPNU-NRFANRHFSA-N	505.549	1.961	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(N)=O	85868011	LYDCRXQQBDNGOO-FDBFMKMFSA-N	775.901	1.181	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(O)c(OC)c3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1	102662738	BLWFDBNTGVCNJS-HNLWVNFGSA-N	568.604	1.369	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	255997335	QOACISSHGAAMLK-BKJHMGRJSA-N	683.667	1.141	0	40	KDAB	
CC(C)N(CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1)C(C)C	643577161	GHFOYCLVCYOPEP-CHQNGUEUSA-N	702.857	1.487	0	40	KDAB	
Nc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cn1	643578199	QGVJGPWVPGUNOT-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNCCOC[C@@H]2CCCO2)CCCCOC[C@@H](O)[C@H]1O	643586666	LTHIMCKDUCRJAK-KHXKTPMXSA-N	625.779	1.844	0	40	KDAB	
COc1cc(C)c2c(=O)cc(C[C@@H](C)O)oc2c1[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	1549184270	OUGNWRCWQLUXHX-JAGFJADHSA-N	556.564	1.518	0	40	KDAB	
Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O	8901833	MDAUKDFXVYQRIR-AWEZNQCLSA-N	520.409	1.844	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)/C=C/c2ccc(Br)cc2)c(=O)[nH]c1=O	15940429	KBDWTXKBCHHWPB-JXMROGBWSA-N	523.384	1.917	0	40	KDAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@H]2CCCO2)CC1	57595143	NOXDGLXDDQEGSR-VGSWGCGISA-N	510.551	1.787	0	40	KDAB	
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70700184	UGOUFGFCPZDETB-NWVWQQAFSA-N	528.565	1.790	0	40	KDAB	biogenic
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O	96018740	GTYKHTUZRFNUJV-VWLOTQADSA-N	546.577	1.287	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	100755955	NNDHDYDFEDRMGH-LLXZICJFSA-N	586.726	1.718	0	40	KDAB	biogenic
C[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3C[C@@]4(C)[C@@H](C[C@H](O)[C@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]54C)[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	2061000742	JBGYSAVRIDZNKA-IWXPMZRWSA-N	801.024	1.359	0	40	KDAB	
CCCn1c(N)c(N(CCOC)C(C)=O)c(=O)n(CC(=O)Nc2ccc(Br)cc2F)c1=O	13148250	FYZRQBIQLUTQRN-UHFFFAOYSA-N	514.352	1.542	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1	38550299	NPQREWVOCRVFGJ-PKOBYXMFSA-N	508.575	1.564	0	40	KDAB	biogenic
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O	70699646	YFNSCKARIFNYIQ-KSNQQPBDSA-N	589.638	1.323	0	40	KDAB	biogenic
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc(OC(=O)C[C@H]4SC(=O)NC4=O)cc2)c2sc(=O)[nH]c2S[C@H]31	101174734	UHDMFVBATFETCL-JNGOFYAYSA-N	615.667	1.641	0	40	KDAB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224222800	YMUATBGDRCDMFH-HNNXBMFYSA-N	534.056	1.949	0	40	KDAB	
CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC	253598317	HYTGGNIMZXFORS-ICISDORXSA-N	793.948	1.607	0	40	KDAB	biogenic
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408657266	ORDDQXFQRUGEID-OAHLLOKOSA-N	518.320	1.911	0	40	KDAB	
CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	4177611	ICWOBLRWDHMGJE-ZJLRUGLKSA-N	571.675	1.462	0	40	KDAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	4277839	UIPCKVJEGHYRHK-IZZNHLLZSA-N	601.703	1.660	0	40	KDAB	biogenic,in-vitro
CCOC(=O)[C@@H](O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1	4683267	IKELOMNOWOLYKT-FMJCETHYSA-N	510.492	1.391	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	12080682	ILMQYQKNUDPUEE-FQEVSTJZSA-N	511.984	1.179	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	30851386	MWCKBLKXPJXGCH-UHFFFAOYSA-N	527.621	1.902	0	40	KDAB	
COc1c2c(cc3c1OCO3)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H](C1(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C1=O)C2	70706363	OUVPTWDPFATDGC-HXUWFJFHSA-N	605.604	1.240	0	40	KDAB	biogenic
CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2CC(=O)OC)NC(=O)N[C@@H]1c1cnn(CC)c1	98046218	XDLAIKNWNQZUND-HXUWFJFHSA-N	526.575	1.749	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1	100446146	GJLMCXXTPHIDSE-UHFFFAOYSA-N	575.648	1.933	0	40	KDAB	
CCOC(=O)[C@@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)COC(=O)CCc1ccc(OCC(=O)O)cc1	248303971	LKYTVXSBEGAMBV-OAQYLSRUSA-N	531.514	1.380	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C(=O)NC[C@H]1O2	253401778	NMMMMZDJBYLBCM-GEMTWJNPSA-N	574.675	1.516	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2ccccc2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551542	QIWIZWUAAOCPKL-LKJOUZSKSA-N	520.667	1.965	0	40	KDAB	
Cn1ccc(=NC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)[nH]1	2037879190	DSHPCYRKMGEUKH-GVAUOCQISA-N	548.688	1.462	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	59838321	KIVUKKSLCYBOCI-RUZDIDTESA-N	603.719	1.931	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	59838577	JLRNVIXAYVGFHZ-HXUWFJFHSA-N	537.660	1.433	0	40	KDAB	
CC(C)CN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	67337759	ZZIZHLHPFWLFBK-UHFFFAOYSA-N	509.076	1.998	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](Oc2ccc3oc(=O)sc3c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216307134	WSIIBQIRXPPYHU-MERXZDIISA-N	511.505	1.198	0	40	KDAB	
CCc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224447118	AGSHXNWEWLSBDF-UHFFFAOYSA-N	525.649	1.231	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O	257370855	CMZFNIMQBCBHEX-FFCUNUKGSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	79216646	KWBPKUMWVXUSCA-MJGVMFGOSA-N	696.831	1.079	0	40	KDAB	biogenic
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCOCC2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O	643565472	ZTXXRUBRYASROK-RBZQAINGSA-N	559.708	1.078	0	40	KDAB	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1C(=O)[C@H]1CCCN1)C(C)C	4151706	SOQOEDLNZTYBDQ-OJAHFUOMSA-N	562.611	1.409	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6546874	TYWHYQDKSPYIBK-GOSISDBHSA-N	517.589	1.962	0	40	KDAB	
CCOC(=O)C1=C(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1	12412405	NWVOYPJSAWIYEE-INIZCTEOSA-N	516.942	1.309	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1	16043654	IDPGPBHQDMGCTD-FQEVSTJZSA-N	506.602	1.236	0	40	KDAB	
COc1ccc(CN2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(Cc5ccc(OC)cc5)C4=O)CC3)C2=O)cc1	22789185	BOYKBKWTWKIAOM-ZEQRLZLVSA-N	520.586	1.277	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C	32911032	IIVQFXXEDPCTDV-FYYLOGMGSA-N	517.604	1.446	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	216390497	ZXCZHZRUSRWWEA-OAHLLOKOSA-N	527.621	1.946	0	40	KDAB	
COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	224551241	DRCKQAQFPDUNTC-AWEZNQCLSA-N	533.575	1.788	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1	886076	SULVQMJCXKWZIZ-QHCPKHFHSA-N	511.583	1.795	0	40	KDAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)sc(C(N)=O)c1C	20168045	YMOPNGIBOFTCIX-UHFFFAOYSA-N	524.621	1.286	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCCOCCOCCOCCOCC2)cc1	39988428	CWKOWDQSNWOZLV-DEOSSOPVSA-N	530.684	1.613	0	40	KDAB	
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	103099903	RUFFTBKGWKQTJW-UHFFFAOYSA-N	549.621	1.487	0	40	KDAB	
Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)CN2S(C)(=O)=O	224324426	JMQGFQBFGQGNEU-QFIPXVFZSA-N	523.633	1.502	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	247647520	KYWSCMDFVARMPN-SWOVWASYSA-N	780.993	1.777	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	257455376	JLLVQPKAQVOYFS-YIMDNVTESA-N	758.921	1.124	0	40	KDAB	biogenic,in-vitro
O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)N1CCOCC1	923609	CFQNAXRPEUBXAJ-UHFFFAOYSA-N	529.644	1.906	0	40	KDAB	
CCSc1ccc2c(cc1=O)[C@@H](N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCc1cc(OC)c(OC)c(OC)c1-2	5203270	GQVWLSDYJIVSGP-JVCQUVHHSA-N	549.642	1.228	0	40	KDAB	
C[C@H]1CN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)C[C@H](C)O1	10460797	SEUFFIVUDMOZJM-IRXDYDNUSA-N	512.588	1.788	0	40	KDAB	
CC[C@H](C)[C@@H](C(=O)N1CCOCCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O	39988423	NNTKCANJLUEGJP-REWPJTCUSA-N	506.596	1.623	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c3c1OCO3)CCN(C)C2	40312402	NJYXXWPICVRTKM-UHFFFAOYSA-N	520.583	1.496	0	40	KDAB	biogenic
CCOC(=O)NC(=O)c1cn(CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	95550538	CUULLJHDMLXEMY-UHFFFAOYSA-N	822.870	1.993	0	40	KDAB	
CCn1c(-c2ccncc2)nn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)c1=S	102322432	AFTLMJPQQNVOGB-CDVBAKLBSA-N	535.579	1.325	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224227715	WAKAGTIEZNNKSA-UHFFFAOYSA-N	525.649	1.929	0	40	KDAB	
CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21	224497381	LHUCXJHDRLGPLH-UHFFFAOYSA-N	523.633	1.364	0	40	KDAB	
COc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@H]5[C@@]6(O)C[C@@H](O)[C@@]7(O)[C@@H](CN8C[C@@H](C)CC[C@H]8[C@]7(C)O)[C@]6(O)C[C@@]53O[C@]24O)cc1OC	584567015	FVECELJHCSPHKY-SJELJLMDSA-N	673.800	1.356	0	40	KDAB	
Cc1[nH]c2ccccc2c1C[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O	584577901	RVWNMGKSNGWLOL-VSNLAUBISA-N	887.059	1.337	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@]4(C)C[C@H](O)[C@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@]4(C)CC[C@]34C[C@@]43CC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	605851157	UPADPCUOTDTWHH-PGJYFWBXSA-N	768.982	1.752	0	40	KDAB	
COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(OC)c1OC	1311502	RBSFNNMHLQGVOS-UHFFFAOYSA-N	508.622	1.921	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1	4791692	JJRFCTOCEBAFGD-UHFFFAOYSA-N	509.382	1.239	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1	20032017	XZSHYOZBSMIQST-LJQANCHMSA-N	509.650	1.971	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	30849371	OYFTVJDFQIEOMH-UHFFFAOYSA-N	511.622	1.964	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224227637	PUYIBSMBNWYWLG-UHFFFAOYSA-N	511.622	1.539	0	40	KDAB	
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c(N)nc(N)nc53)[C@@](C)(O)CO4)[nH]c2c1	257216857	CWJSSDJGIBOYPX-BVZFJXPGSA-N	535.609	1.466	0	40	KDAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@@]54C)[C@@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257469607	KYWSCMDFVARMPN-GOIRXQQBSA-N	780.993	1.777	0	40	KDAB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccc(Br)cc12	409137434	VETPBVMDGUNPDK-NVMNQCDNSA-N	535.420	1.835	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1	222574199	TURPABSTCRLLIP-INIZCTEOSA-N	511.622	1.960	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)CC2)cc1	223310927	HNKQLNYFGNOZDA-UHFFFAOYSA-N	500.042	1.943	0	40	KDAB	
CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	224473916	BZSOSPPUANUJHN-UHFFFAOYSA-N	518.013	1.541	0	40	KDAB	
CS(=O)(=O)N1CCN(C2CCOCC2)C[C@H](C(=O)NCCN2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1	643561407	JUNQPHJYASNVNG-NDEPHWFRSA-N	647.883	1.869	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565057	AHFCREGWGAFOMT-WIOPSUGQSA-N	529.682	1.549	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@@H](C)NC1=O	643573509	PZQOOTLUTDDZSW-ICTDUYRTSA-N	593.725	1.752	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)NC(C)C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613403	TZFOQJSVNBUOKR-WPYKKVEZSA-N	518.636	1.496	0	40	KDAB	
CCCCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12891545	VZCLGOMBIARBLX-UHFFFAOYSA-N	521.640	1.695	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3cccc(C)c3)NC(C)=O)CC2)cc1	13565563	NCBKAAFCGFWIER-DEOSSOPVSA-N	500.621	1.970	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c1	38139609	TTYYUGVMLTVSTM-UHFFFAOYSA-N	535.648	1.416	0	40	KDAB	
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152211	UPUJJENPHZAFJA-HMAPJEAMSA-N	533.585	1.877	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(S(=O)(=O)Nc5nccnc5OC)cc4)CC3)nc21	98005963	FEVQATOFYHUJBM-UHFFFAOYSA-N	625.693	1.628	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876668	IELLAGKAIWTFPC-BZZOAKBMSA-N	566.683	1.829	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	215923775	GFCDUIZJIMBYFY-UHFFFAOYSA-N	529.662	1.817	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@H]3C(=O)NC[C@H]1O2	253405199	RZNNJMWUIIUJEI-DXLYGPJMSA-N	546.668	1.931	0	40	KDAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1ccc3c(c1)OCO3)C2	514287601	PUTRLIMYOSQHQD-ZXNDISMFSA-N	523.586	1.595	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1	643576050	GDVFDCFNKBDKGC-VMPREFPWSA-N	669.783	1.769	0	40	KDAB	
COC(=O)C[C@](C)(O)Cc1ccc2c(c1O)C(=O)c1ccc([C@@H]3C[C@H](O)[C@@H](O)[C@@H](C)O3)c(O)c1C2=O	28539879	TUWSZFDKMULJEZ-NECPHNBFSA-N	500.500	1.302	0	40	KDAB	biogenic
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C=C/c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)nc2c1	32666656	IDXAASPAWYVIQA-VBROQKIQSA-N	520.951	1.984	0	40	KDAB	
CC/C=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1	59223553	WVPAABNYMHNFJG-ROJQATHQSA-N	567.646	1.358	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	224499877	OOZLOEFFOMXCHB-UHFFFAOYSA-N	537.660	1.303	0	40	KDAB	
Nc1nc(O)c2ncn([C@@H]3C[C@@H]4O[Sn](c5ccccc5)(c5ccccc5)OC[C@@H]4O3)c2n1	263612799	YOHYHZSELJKFII-XTERQRBBSA-N	538.152	1.074	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCNC1=O	643565344	XEVUZLSGELUAGW-VXKWHMMOSA-N	509.607	1.359	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCNC1=O	2037916306	CTBRYBGZMDGUEE-BHDXBOSCSA-N	690.842	1.792	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N(C)C)c4)CO[C@H]23)cc1	4147695	AWYJQKSZPHHBEU-FNAHDJPLSA-N	529.579	1.176	0	40	KDAB	biogenic,in-vitro
COc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2OC)cc1	13146714	JXYJJKCPHFFQCU-SFHVURJKSA-N	520.560	1.524	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	35806913	RSYMITBROVGXDY-OFCWLIIESA-N	526.977	1.586	0	40	KDAB	biogenic
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1)N1CCOCC1	100446611	KZJOYJXNBMVOSD-UHFFFAOYSA-N	599.695	1.564	0	40	KDAB	
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)cc1OC	101330077	ORRFMRKDOBVGEP-UHFFFAOYSA-N	548.600	1.990	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	223331817	SNLSRJNKYJGECM-UHFFFAOYSA-N	511.622	1.166	0	40	KDAB	
COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1CO	524731222	ONSZKLXTNQVVKK-MMOPVJDHSA-N	521.570	1.635	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCCOCCN(C(=O)CCNS(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1	584906215	MQOMGJFQSONBNJ-UHFFFAOYSA-N	712.888	1.078	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643567922	AQFVDZVMNKVJLP-NOZRDPDXSA-N	557.651	1.944	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	2037916288	UTXWPMKVRLPZII-NHTMILBNSA-N	541.693	1.692	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3830817	VJJPUSNTGOMMGY-CVDKMNMFSA-N	588.562	1.339	0	40	KDAB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)O)(c2ccccc2)CC1	8791528	NIXFVGYUFBCBRI-PMACEKPBSA-N	530.622	1.781	0	40	KDAB	biogenic
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225564061	OYYLMTLZRVAMBX-UHFFFAOYSA-N	522.649	1.204	0	40	KDAB	
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1	408601037	DTYMADHCEWAFIV-HNNXBMFYSA-N	508.549	1.917	0	40	KDAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(OC)c3OCC(N)=O)c(=O)n21	408973590	ZHJVCYGWDBXDSE-DIXABZHVSA-N	611.673	1.705	0	40	KDAB	
COc1cc([C@H](CC(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	524730959	DRDGSQJTPIBKFL-SXLOBPIMSA-N	549.580	1.814	0	40	KDAB	biogenic
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21	103066551	RJUCONLSXVBPHP-UHFFFAOYSA-N	546.602	1.541	0	40	KDAB	
CC(=O)OC[C@@]12[C@H]3[C@H](OC(C)=O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]1(O)C[C@H](OC(C)=O)C[C@H]2OC(C)=O	118928603	LWEDMLOAXCZSBB-DACDNLHWSA-N	606.665	1.916	0	40	KDAB	
CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc21	225695524	HLMKPAKKGOCTFO-UHFFFAOYSA-N	513.619	1.913	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(CC5CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253399050	IBKNKTKGYUQOPJ-GEMTWJNPSA-N	538.649	1.649	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@@H](C2)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@H]2[C@H]3CC[C@@]3(C)[C@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)[C@H](O)C[C@]23C)OC[C@@H](O)[C@H]1OC(C)=O	256080313	VSTUEJHYITYINF-KTWDCPPXSA-N	843.017	1.476	0	40	KDAB	
CC(C)(C)OC(=O)NCCCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257251126	JPMJGSUKMOIYRH-HBUYNFGHSA-N	530.622	1.956	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)cc1	408662781	XYJYQSLDXMVNKO-INIZCTEOSA-N	513.503	1.556	0	40	KDAB	
CC[C@H](C)N1[C@H]2OC(C3O[C@@H]4[C@@H](O3)N([C@@H](C)CC)S(=O)(=O)N4[C@@H](C)CC)O[C@@H]2N([C@H](C)CC)S1(=O)=O	98003593	LRTSTELZGUFNQB-WDABSODWSA-N	554.732	1.955	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	100077188	YQRGAHAXSPQKMR-BLECARSGSA-N	618.820	1.457	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	102932625	NHZVQUUWWDWYIE-UHFFFAOYSA-N	540.689	1.865	0	40	KDAB	
CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@H]3C[C@@H]2C1	257264033	LSOLGNNSFXNZMI-ZWKKXDGNSA-N	551.633	1.740	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1	2299235	PORUIWYDZLVUMQ-TVNWYLLRSA-N	508.552	1.177	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2-c2nc(C)no2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8432877	KKACODFHYNYKGD-ZFVIQDPVSA-N	506.464	1.507	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(c4ncccn4)CC3)n2Cc2ccc(Br)cc2)n(C)c1=O	20427990	VSJAIPBUXOAPHE-UHFFFAOYSA-N	511.384	1.361	0	40	KDAB	
COc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC	22829535	VBBVYNJLYWBXRF-UHFFFAOYSA-N	504.653	1.961	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	70701402	VMRFIHOXIDPZJS-RLLIMONSSA-N	541.004	1.894	0	40	KDAB	biogenic
COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3	102755410	LJJIGWYLXQVMBR-UHFFFAOYSA-N	556.597	1.805	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	255287597	ZQJUBKCZQLYDNH-HHAITRAOSA-N	927.091	1.438	0	40	KDAB	biogenic,in-vitro
Nc1ccc(C(=O)COC(=O)OC(COC(=O)COC(=O)c2ccc(N)cc2)COC(=O)COC(=O)c2ccc(N)cc2)cc1	2061000919	DKIPKCTYZHMHQY-UHFFFAOYSA-N	623.571	1.938	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1cccc(OC)c1	989080	XSLKIPUMCHKLFF-DTBYZMGXSA-N	522.579	1.567	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)cc4Br)[C@@H]3SC2)s1	2735412	AHEMKARJZWJBKW-HZMBPMFUSA-N	531.439	1.487	0	40	KDAB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)NCCN4C(=O)CSC4=O)cc3C2=O)cc1	25393639	UZLYUYANQDXXOU-UHFFFAOYSA-N	511.512	1.854	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Sc3cccc4cccnc34)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	85888651	BPOPUDQXFXCWAW-LUODQUTCSA-N	779.770	1.947	0	40	KDAB	biogenic
COC(=O)[C@H]1O[C@@H](O/C(=N/c2ccccc2)C(F)(F)F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	140106296	YIVKGVGMDKWGAE-HFVBHXJCSA-N	505.398	1.989	0	40	KDAB	
CN1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccncc5)ccc4C(=O)N3)CC[C@@H]2O)CC1	514287683	YALLABQJKJZWBO-USJHEHEUSA-N	563.699	1.823	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643565060	ALPGCRMVKQUPPY-XUZZJYLKSA-N	512.582	1.713	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC(=O)N(C)CC1=O	643569000	IHXIYCZCHVMEPJ-VWLOTQADSA-N	565.671	1.023	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N(C)CC1=O	643569001	IKDCKMNQKQUWHR-DEOSSOPVSA-N	568.646	1.878	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nc3ccccc3[nH]2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913185	JOBQMAJBJGUPOS-VYRPMTAESA-N	580.748	1.921	0	40	KDAB	
CC(C)CCN1CCC2(CCOc3cc(-c4ncnn4C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889617	IWNLYFOENQQBDB-RTWAWAEBSA-N	546.694	1.385	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@H](N)Cc1ccccc1)C(=O)O	2037879581	FRJVIFNQHDYIGB-XNFXSIFFSA-N	533.025	1.878	0	40	KDAB	
O=S(=O)(c1ccc2oc(=S)n(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1)N1CCOCC1	3377772	RCMKSTXPMVQCPO-UHFFFAOYSA-N	538.673	1.949	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(OC)cc4)n3n2)CC1	9578557	RQQMWSGVASGJFO-UHFFFAOYSA-N	527.607	1.498	0	40	KDAB	
COc1cccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	13135110	FGKOUVAHRNFMLI-CYBMUJFWSA-N	504.594	1.869	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	20040387	IZFCBHZXRZVMSQ-UHFFFAOYSA-N	509.606	1.122	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@@H]1c1ccco1	24002583	SICYZWFFARLOCV-HXUWFJFHSA-N	519.532	1.329	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(OC)c3)CC2)cc1	59816442	PBBNPWBYHQWMHJ-DEOSSOPVSA-N	537.617	1.350	0	40	KDAB	
COc1ccc(OC)c(C(=O)COC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)c1	102778273	BYFQSUXOOGNIOY-DEOSSOPVSA-N	548.614	1.905	0	40	KDAB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224455543	UPMNOAXOBQLUEU-UHFFFAOYSA-N	617.702	1.869	0	40	KDAB	
CC(=O)N[C@@H](CC[S@@](C)=O)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829057	JZTIIXMOXOQOAA-AEJIMMRVSA-N	600.782	1.467	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1	6546747	MZOHMRYOLVRXNQ-OAQYLSRUSA-N	557.585	1.614	0	40	KDAB	
CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12	8918362	LCHGMGJQGGYDMD-PPHZAIPVSA-N	513.591	1.429	0	40	KDAB	biogenic
COc1ccc(C(N)=O)cc1NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21	71772569	SCRPKTLURIJWDT-OAHLLOKOSA-N	513.576	1.706	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100248080	QACCEXUDTIMBQQ-GYFISPQKSA-N	562.395	1.214	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	224465623	MNWJOPAAWKBVFK-UHFFFAOYSA-N	579.741	1.877	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	245224564	YURJSTAIMNSZAE-ITWYJALISA-N	801.024	1.120	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	253501163	YAQKKPAGOYYBGW-HIBXFOCJSA-N	596.630	1.229	0	40	KDAB	
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	1559593902	RPYOQSQAINUUEA-NRFANRHFSA-N	506.536	1.981	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2059877	SGTRBJLXRAMJFV-SADKCHQCSA-N	503.536	1.680	0	40	KDAB	
CC1=CC(=C(c2ccc(N)c(S(=O)(=O)O)c2)c2ccc(N)c(S(=O)(=O)O)c2)C=C(S(=O)(=O)O)C1=N	4235536	FKDGKTNDRAXENR-UHFFFAOYSA-N	541.585	1.898	0	40	KDAB	biogenic,in-vitro
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080174	JLARNDZAFJYIIF-AUSIDOKSSA-N	519.562	1.843	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@H](C(=O)O[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2c2cccs2)cc1	36245377	LJYLXPQLTRSJMR-DKICVRJWSA-N	510.572	1.945	0	40	KDAB	
O=C(COCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	97947748	ALACFVOIBFOONG-UHFFFAOYSA-N	538.601	1.149	0	40	KDAB	
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc([N+](=O)[O-])ccc2N(CC(=O)O)CC(=O)O)c1	165276468	OJGFBVWMKLTTLH-UHFFFAOYSA-N	535.462	1.312	0	40	KDAB	
CCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	504636603	YBXSCTVUXLDXFV-MASZLTEFSA-N	578.644	1.934	0	40	KDAB	biogenic
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)CC(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643577960	KQTGRFSBEAOMSL-WUFINQPMSA-N	607.752	1.918	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	6190492	WLYZGKRYLZBQQG-SVPADUAOSA-N	571.675	1.462	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1	22835193	QSVMTNDNEAHICU-MLGOLLRUSA-N	510.878	1.556	0	40	KDAB	
CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1	103014072	RUWGMDXIZIXNPX-UHFFFAOYSA-N	577.729	1.496	0	40	KDAB	
CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1	103014077	MSNAIISLBAQEJI-UHFFFAOYSA-N	540.646	1.581	0	40	KDAB	
CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1	103140674	ZQHGYJLECZXXDP-UHFFFAOYSA-N	530.024	1.037	0	40	KDAB	
CCOc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224487601	JWPRRHTZOHUUTM-UHFFFAOYSA-N	569.702	1.848	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	253501113	YXSQSVWHKZZWDD-OMAXMYTESA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC1)n2C	514401241	QKLNHXIWCKLJJU-UHFFFAOYSA-N	576.701	1.281	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1	584578915	TVBJKPLTBPGHDJ-PGFMRBPISA-N	660.669	1.447	0	40	KDAB	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	669679246	UZIOUZHBUYLDHW-WFHJBWFXSA-N	801.024	1.120	0	40	KDAB	
COc1cc(NC(=O)c2cc3ccccc3cc2O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OC)cc1Cl	2516265	UJPWFVGXQNDAFV-GCSUUFGQSA-N	519.934	1.941	0	40	KDAB	
C[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	4018348	OUWDVGFXGJMUAS-FGZHOGPDSA-N	620.659	1.076	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1	15956947	UBWNUSPDYLRFSV-QLEBEQNUSA-N	510.934	1.626	0	40	KDAB	biogenic
COCCN(C(=O)COC(=O)CCOc1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666499	PUKSRQMEDIFQIY-UHFFFAOYSA-N	524.574	1.776	0	40	KDAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl	59781902	BHQHXVHXQRJSCC-JOCHJYFZSA-N	542.036	1.851	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59852067	LEUCDLRMOOUJDG-UHFFFAOYSA-N	551.687	1.886	0	40	KDAB	
CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337290	OVYSHLLPCPFHIW-UHFFFAOYSA-N	509.032	1.405	0	40	KDAB	
Cc1ccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2N)cc1	103078659	TXTLCEGGENWKBE-UHFFFAOYSA-N	573.701	1.556	0	40	KDAB	
Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)[C@@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@@]2(C)O4)no1	169355843	JAHWIZMBXJXWMQ-TVZPZGDLSA-N	506.559	1.958	0	40	KDAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222931076	TXDFZVHYUKDHCL-IBGZPJMESA-N	519.620	1.648	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C	2060993782	VNONINPVFQTJOC-UKWYYUQVSA-N	869.055	1.242	0	40	KDAB	
CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	12527301	NROBANYAAOEJNI-UHFFFAOYSA-N	520.583	1.930	0	40	KDAB	
COc1ccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1OC	15940815	AWRNYXURTFVUNO-UHFFFAOYSA-N	518.519	1.357	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	70701400	VMRFIHOXIDPZJS-DVVWYOFYSA-N	541.004	1.894	0	40	KDAB	biogenic
Cc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)ccc1-n1cnnn1	100471653	JMEYRHSTNOKSMT-UHFFFAOYSA-N	550.580	1.967	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	224481543	HWPPGTJAJCKIKR-JOCHJYFZSA-N	558.078	1.709	0	40	KDAB	
Cn1c([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	229944173	XKUFXZVUJRSLRP-OUDXUNEISA-N	595.678	1.762	0	40	KDAB	
CN(C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CC[C@@](O)(Cn2cnc3c(N)ncnc32)[C@H](O)C1	257257071	KNYPDJWTOJKYKF-QURLWZIUSA-N	504.473	1.720	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	260725261	TZVVYIJLJXLHFX-GOSISDBHSA-N	521.636	1.680	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2)OC[C@H](O)[C@H]1OC(C)=O	1857788385	GBPDDYORNLOZID-ZFBRCTJASA-N	841.001	1.230	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1cccc(OC)c1	2299234	PORUIWYDZLVUMQ-OVCORXIESA-N	508.552	1.177	0	40	KDAB	
Cn1cccc1C(=O)N[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@H]2CCCC[C@H]2C(=O)N2C[C@@H](NC(=O)c3cccs3)C[C@H]2C(=O)O)C1	4221507	KBQYLYAXTCCSAU-XUCMERPOSA-N	613.693	1.161	0	40	KDAB	biogenic,in-vitro
COc1ccc([C@@H](C(=O)NCCC(C)C)N(CCCO)C(=O)c2snc(C(N)=O)c2N)cc1OC	6134425	WGLWXVWFZLFPIS-IBGZPJMESA-N	507.613	1.570	0	40	KDAB	
COCCNC(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2sccc21	8593184	RJTLEYXISKGUKP-UHFFFAOYSA-N	530.603	1.593	0	40	KDAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	17577269	QXPCDULLWJBZHR-UHFFFAOYSA-N	566.640	1.295	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O	96019683	KSVSXQCOEZIXHY-VWLOTQADSA-N	564.567	1.426	0	40	KDAB	
COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	260885999	CANBSQXLCCHSLB-GOSISDBHSA-N	571.674	1.074	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCNCC4)C[C@H]3C(=O)NC[C@H]1O2	514287391	RXWSDVHQGGFJIB-GEMTWJNPSA-N	556.708	1.088	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643566453	YLTWNQDIPYRKJE-JYFHCDHNSA-N	520.630	1.794	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](CC(N)=O)C(=O)O)C3=O	1775964097	RNPMSPOQHSSJPQ-YXVLAROGSA-N	516.591	1.554	0	40	KDAB	biogenic,in-vitro
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3830819	VJJPUSNTGOMMGY-AMTHCQHFSA-N	588.562	1.339	0	40	KDAB	
Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	12617623	BDULNUMOAVBVHA-UHFFFAOYSA-N	504.565	1.266	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1	12881297	BLVNOPANDZMQEB-GOTSBHOMSA-N	520.586	1.938	0	40	KDAB	biogenic
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c(OC)c1	20490353	BJHCYCDVXFQFCF-MRXNPFEDSA-N	526.637	1.962	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC	60028240	QDKOCCNLARRPKK-UHFFFAOYSA-N	539.632	1.762	0	40	KDAB	
COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	224493347	KEIASEMSJIXONY-UHFFFAOYSA-N	518.997	1.505	0	40	KDAB	
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	253534325	NRRXDXZXLJSBPH-QJNXFLHVSA-N	724.885	1.339	0	40	KDAB	biogenic,in-vitro
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1	408636931	WGTWLRUWALOBOJ-UHFFFAOYSA-N	526.011	1.717	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)cc1	408662783	XYJYQSLDXMVNKO-MRXNPFEDSA-N	513.503	1.556	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4nccn4C)C[C@H]3C(=O)NC[C@H]1O2	514287357	CKOCIFDDNLKOOI-FEVSWUGISA-N	567.691	1.269	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)cc1	3341614	VOECQPUPOPLEMT-UHFFFAOYSA-N	511.597	1.302	0	40	KDAB	
O=C1c2ccccc2C(=O)N1CCOCCN1CCOCCOCCN(CCOCCN2C(=O)c3ccccc3C2=O)CCOCCOCC1	4577548	UUCQFIYNCJLWBM-UHFFFAOYSA-N	696.798	1.296	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1	9694771	ZLXRVQAXMHUMRK-UHFFFAOYSA-N	512.610	1.211	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(CCOc4ccccc4)CC3)CC2)cc1OC	44980816	SQLYEXVCFRJTPM-UHFFFAOYSA-N	532.663	1.233	0	40	KDAB	
CCn1c(S[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccncc1	102487370	OJEBQBHXKXOIPU-MOFJNDHNSA-N	535.579	1.108	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@]24[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]24O)O[C@H](C)[C@H]1O	118939771	WZCKFKUUQUMLRX-LMEHXKJESA-N	562.656	1.421	0	40	KDAB	
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4COC4)C[C@H]3C(=O)NC[C@H]1O2	253401548	NGEZAVIBCNFGHM-FEVSWUGISA-N	542.677	1.579	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@@H]1C=CCCNC(=O)C=C[C@H](C(C)C)NC1=O	958322906	AXZPAGVFIVOODG-SOMHSPELSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)c2c(nc(SCC(=O)N3CC(=O)Nc4ccccc43)n2Cc2ccc(F)cc2)n(C)c1=O	798912	IWVPITKFMCEYML-UHFFFAOYSA-N	508.535	1.699	0	40	KDAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)c1	20485787	LASYZJHRMZAJCR-MRXNPFEDSA-N	526.637	1.962	0	40	KDAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(OC)c1	38145095	UZDYYQJIAJINFO-DEOSSOPVSA-N	546.646	1.679	0	40	KDAB	
C/C=C(\C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)[C@@H]3C[C@@]4(O)C5=C(C6=C(C)C(=O)O[C@]6(O)[C@H](O)[C@@]5(C)[C@@H]5C[C@@H]54)[C@@]34OC(=O)C(CO)=C4C[C@@H]12	49784560	JDNYCIQWGHMSPJ-ANOWQDLRSA-N	636.694	1.127	0	40	KDAB	biogenic
COc1ccc(CC2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1OC	136692960	UZZQNHQHEZLKKC-IEBWSBKVSA-N	554.669	1.738	0	40	KDAB	
COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224209720	MAEIYTKFHFSIPP-UHFFFAOYSA-N	520.029	1.560	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)NC2(CCCC2)C(=O)N1	643579400	WRXINFLRAZKRMV-FCHUYYIVSA-N	529.682	1.595	0	40	KDAB	
COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)OC)C(=O)CF)C(C)C	1350724240	WXGZOFIAKJDRQM-URAXMDJLSA-N	919.913	1.700	0	40	KDAB	
CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)CC1	9764138	SIPKNICGPPZPJN-HSZRJFAPSA-N	505.568	1.835	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc(Br)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	9974867	QBFVABHSGIIDPA-OMZCGLGVSA-N	502.314	1.484	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	10288686	GOFBDOLIVSZKLK-UHFFFAOYSA-N	507.634	1.471	0	40	KDAB	
CCC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	35393629	PRGWPEPFIYKYJJ-ODTAKUCXSA-N	510.492	1.750	0	40	KDAB	
CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccncc1	70712138	OJEBQBHXKXOIPU-DOSYZEEDSA-N	535.579	1.108	0	40	KDAB	biogenic
CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1	224474264	CTDWPGPJSBJEGC-UHFFFAOYSA-N	518.013	1.541	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	242390206	AEDVJDMITHPZNB-IXXBJLTKSA-N	525.532	1.506	0	40	KDAB	
CC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](n4cc(CN5CCOCC5)nn4)[C@@H](CNC(=O)[C@@H]2C1)O3	253408587	YGWBGPDAGGRYMO-JGDRUYDSSA-N	581.718	1.333	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@H](O)[C@]1(C)O	257623884	XOEUHCONYHZURQ-PKGQUNHYSA-N	751.927	1.878	0	40	KDAB	
CCOCCN(CCOCC)C(=O)[C@@H]1CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCC(=O)N1	643584820	KQBYLFOKIZLXRL-ZEQRLZLVSA-N	583.771	1.544	0	40	KDAB	
CC(=O)Nc1ccc(OC(=O)COC(=O)CCC(=O)OCC(=O)Oc2ccc(NC(C)=O)cc2)cc1	2061000925	GMSHWOFTVRPRQX-UHFFFAOYSA-N	500.460	1.981	0	40	KDAB	
Nn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1-c1cccnc1	13135889	IFLFBDPBQYASAW-UHFFFAOYSA-N	510.001	1.459	0	40	KDAB	
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCN2CCOCC2)c2ccccc21	38152819	AZLTVYTUCKTTDF-CLCOLTQESA-N	539.658	1.905	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1	38784364	NBYHKFCZRZVJDX-HSZRJFAPSA-N	510.570	1.262	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O	72186775	LIQODXNTTZAGID-SAPQTMCRSA-N	668.541	1.105	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccn2C)ccc1-n1cnnn1	100335903	ZQLJUMOARRYKOR-NFQMXDRXSA-N	570.614	1.824	0	40	KDAB	
O=C(CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12)N1CCOCC1	103022448	FNNKSNDAVJMNBK-OAWVOVMNSA-N	514.582	1.761	0	40	KDAB	
CCc1ccc(S(=O)(=O)NCCN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(CC)cc2)cc1	575422887	XLMXXLGWKVMZEV-HXUWFJFHSA-N	514.691	1.968	0	40	KDAB	
O=S1(=O)CC[C@@H](N(CCNS(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)C1	575426047	LILIHGXYERGRIZ-HXUWFJFHSA-N	560.679	1.939	0	40	KDAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CN3CCN(C(C)C)CC3)CCO2)ccc1Cl	585287607	ZOCPDHVINDZGBW-MUUNZHRXSA-N	550.144	1.815	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643567920	DSGJHRKGHDZHFK-ZNFSXRAMSA-N	579.698	1.194	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	2061000871	TUFDSEMWRYIOBO-BBVZBZCTSA-N	799.008	1.328	0	40	KDAB	
CCOC(=O)CC[C@H](NC(=O)CCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	6546132	MAOXMQLAZLLHCM-ROUUACIJSA-N	516.588	1.329	0	40	KDAB	
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1	13096490	WFDKCTALPGYJST-UHFFFAOYSA-N	515.009	1.897	0	40	KDAB	
CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	36296049	IKFSWZQMRRKGCB-UHFFFAOYSA-N	504.638	1.903	0	40	KDAB	
CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	49908174	FAXGPCHRFPCXOO-KGCOJOICSA-N	685.904	1.467	0	40	KDAB	in-vitro
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838184	HTLIJOSNPDGNLS-MRXNPFEDSA-N	546.067	1.743	0	40	KDAB	
C[C@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	100869537	JIUQQLFQWGFIKL-FJXWWSIBSA-N	576.628	1.722	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cccc(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101459120	SSPAAUHWLHOCSS-LJDSDSDDSA-N	561.407	1.819	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	150662544	JEPURZRNABGOCW-PUMORYBASA-N	821.715	1.970	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(N)=C(C)[C@@H](O)[C@@]1(C)O	253623264	IEEOVDVBJXYXAJ-ZBUXNBQSSA-N	732.953	1.813	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566320	CGLWXVMXPOSFLO-PUHATCMVSA-N	536.633	1.238	0	40	KDAB	
COC(=O)C(C(=O)OC)C(C[C@@H](c1cc(OC)ccc1Br)C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC	4014217	UNJGMQXDFBOHQV-AWEZNQCLSA-N	619.414	1.434	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	9600358	KCHYGSCIOAXLKH-JOCHJYFZSA-N	519.620	1.451	0	40	KDAB	
COc1cc(OC)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC	13096848	RQLGGBAIWQJXAB-UHFFFAOYSA-N	521.592	1.822	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20030991	QPQQGPCSJCGANI-UHFFFAOYSA-N	525.649	1.433	0	40	KDAB	
C/C(Cl)=C/Cn1c(=O)n([C@H]2CC(=O)N(c3ccccc3)C2=O)c(=O)n([C@@H]2CC(=O)N(c3ccccc3)C2=O)c1=O	101151491	OXCFCVZHTJPCEJ-NNAJYLQYSA-N	563.954	1.324	0	40	KDAB	
COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	260886064	DBOZHVKNVNVYQI-GOSISDBHSA-N	555.675	1.838	0	40	KDAB	
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1Cl	3355729	DGCVOJUSAJYGCP-UHFFFAOYSA-N	520.951	1.184	0	40	KDAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(N)(=O)=O)ccc4n3CCOC)cc2)CC1	100872976	WDJINQSNDIKNMO-RWEWTDSWSA-N	611.724	1.201	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](On2c(-c3ccccc3)nc3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103531701	KWJKVIYKVIMPRC-MOBZEUQDSA-N	568.535	1.575	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@H]43)C2)[C@H](O)[C@H](O)[C@H]1O	253498679	KFYOFJUUTSALEH-RYKAVIRFSA-N	871.071	1.322	0	40	KDAB	biogenic
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	255204345	CTWWMFDKIUFVAG-LSTMCIONSA-N	913.108	1.345	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@@H]1[C@@H](O)CO[C@@H](O[C@H]2CC[C@]3(C)[C@@H](C2)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@H]2[C@H]3CC[C@@]3(C)[C@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)[C@H](O)C[C@]23C)[C@@H]1OC(C)=O	256080312	VSTUEJHYITYINF-JDEMRJBYSA-N	843.017	1.476	0	40	KDAB	
CC(=O)N[C@H](CSC[C@@]12OC(=O)[C@@]34C(=O)[C@@]5(C)[C@H](C=C[C@H]6C[C@@H](C)CC[C@H]65)[C@@](C)(O[C@@]13O)[C@@]4(O)C[C@@H]2C)C(=O)O	1772591794	PGDVYHDYILYGOA-YCOZIYMQSA-N	577.696	1.667	0	40	KDAB	
CCCn1c(N)c(N(C)C)c(=O)n(CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)c1=O	12537934	VTJHMNKVZURKOZ-UHFFFAOYSA-N	509.585	1.430	0	40	KDAB	
COC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)sc(C)c1C	12885347	MFPSOSWVFWAZKP-UHFFFAOYSA-N	511.578	1.960	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1	20032603	NVSOYCILFSNQCN-UHFFFAOYSA-N	501.586	1.781	0	40	KDAB	
CCN(C(=O)COC(=O)/C(=C/c1ccccc1)NC(C)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666513	NLCFOCJRDIJVON-ZHZULCJRSA-N	505.531	1.240	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC	44902695	PBYAJQNQRMFFLV-UHFFFAOYSA-N	527.621	1.664	0	40	KDAB	
O=C(N[C@@]12[C@@H]3[C@H]4[C@H]5[C@@H]1[C@H]2[C@@](Br)([C@H]43)C51OCCO1)N[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1	101474125	RCJDUXLRIPBMPW-FRTRKAJGSA-N	566.246	1.047	0	40	KDAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)OC(C)(C)C=C4)cc1	584578922	WNTBDGJNPGBIQF-JIFFAEMVSA-N	658.653	1.417	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)NC(=O)c2ccccc2OCCNC1=O	643564744	CVPJRKWFUVEDRO-IMSXRSKXSA-N	510.591	1.064	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565437	GKKPCLBUNDIUOK-XUZZJYLKSA-N	512.582	1.665	0	40	KDAB	
CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)[C@@H](N)[C@@H](C)[C@H](O)[C@@]1(C)O	1078028795	XCLJRCAJSCMIND-UTFWPNMISA-N	734.969	1.544	0	40	KDAB	
CCC[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6501522	QRNWGLGYBPLDCQ-LSDHHAIUSA-N	503.581	1.659	0	40	KDAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CSC)C(=O)O)CC1	8918395	JJAZQUDNSMPXRW-VDGAXYAQSA-N	513.682	1.859	0	40	KDAB	biogenic
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1	59852312	PQOKBVZXCADVOB-UHFFFAOYSA-N	537.660	1.821	0	40	KDAB	
O=C(N[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]1[C@H]2[C@@](Br)([C@H]43)C51OCCO1)N[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1	101474127	RCJDUXLRIPBMPW-UFAKSVADSA-N	566.246	1.047	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1	150480283	MMMTVMGWTMSGMP-UHFFFAOYSA-N	679.799	1.713	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	224227506	QKZOWWIKAUMLNF-UHFFFAOYSA-N	532.040	1.420	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCc3ccccc3C1)n2CCSc1nnnn1-c1ccccc1	9129045	SJQSUYRZWNGKTN-UHFFFAOYSA-N	501.576	1.754	0	40	KDAB	
CCN(CC)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCOC(=O)c1cc(OC)c(OC)c(OC)c1	9184736	SUDLLIWVLPUIIB-UHFFFAOYSA-N	503.556	1.158	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22867513	MRFZPKXZAGDHEF-RUZDIDTESA-N	533.589	1.806	0	40	KDAB	
NS(=O)(=O)c1ccc(N2C(=O)C[C@]3(CSc4[nH]c(=O)sc4[C@@H]3c3ccccc3O)C2=O)cc1	32594749	AKQCJONANXRDRJ-HRAATJIYSA-N	503.583	1.977	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)CC2)cc1	225501240	FDKRXFHGLKXWIG-UHFFFAOYSA-N	550.703	1.979	0	40	KDAB	
C[C@@]1(O)C[C@H](O)CN(C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)C[C@H]1n1cnc2c(N)nc(N)nc21	257249549	JIWMQURXVSRGHC-IBRHDDFTSA-N	547.542	1.725	0	40	KDAB	
Nc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cn1	643577715	FFICHRZTULWGQX-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C	1570006796	DUXHVCKABSGLJH-LGUKSWTESA-N	512.640	1.418	0	40	KDAB	in-vitro
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1	12599488	RXRITVZDKSOFDR-UHFFFAOYSA-N	504.517	1.840	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	98006323	KOHRSPITWOPBEG-DWSYPVMBSA-N	553.413	1.647	0	40	KDAB	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1	140751317	XYZOMPCEZFRTOR-RBUKOAKNSA-N	564.644	1.127	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	224473339	JHBVRMXMOHCKCA-XMMPIXPASA-N	579.741	1.877	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@H]5C[C@@]6(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccccc1	263617714	PHASMOUKYDUAOZ-IIGUQLNOSA-N	629.747	1.677	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCNC(C)=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585281002	VAVLRLZDJRZQAZ-HHHXNRCGSA-N	535.588	1.971	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643564978	AINFUZCYGDVDDW-CVDCTZTESA-N	554.619	1.582	0	40	KDAB	
COCC(=O)N1CCCN(C2CCOCC2)CCN(C(=O)CCNS(=O)(=O)c2c(C)noc2C)Cc2ccccc21	643565224	DUPOIUDNNAWBIT-UHFFFAOYSA-N	591.731	1.853	0	40	KDAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCCOc3ccccc3C(=O)N2)c1	643567660	ONHQTLADXYHCTO-SVBPBHIXSA-N	588.661	1.874	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	1615161628	WBHMGOCJRYMBEV-GOTSBHOMSA-N	529.682	1.501	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1	2037916280	HRZAQZQBAFOASB-ZEQRLZLVSA-N	593.706	1.973	0	40	KDAB	
CCCCCn1c(SCCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)nc2c1c(=O)[nH]c(=O)n2C	53336630	VREPZMKGEOVWGE-UHFFFAOYSA-N	553.443	1.295	0	40	KDAB	
COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc(C(=O)OC)c1	59930429	SSCFNADAPYIYIA-UHFFFAOYSA-N	526.951	1.952	0	40	KDAB	
COC(=O)c1cc2c(cc1C(=O)OC)OCCOCCOCCN(Cc1cn(CCCC(=O)O)nn1)CCOCCOCCO2	68603562	PBTFYAVUUMWGIC-UHFFFAOYSA-N	638.671	1.056	0	40	KDAB	
CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1	100140537	HGVDHZBSSITLCT-YSVLISHTSA-N	548.069	1.290	0	40	KDAB	in-vitro
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCCC3)cc1)O2	224400633	HPHQJSAODMNSRH-QHCPKHFHSA-N	537.660	1.892	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H]([C@H](C)c2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O	253389916	NZNSTOHSZZLSNP-YCOSKWHFSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1	253394335	AZCYPHINHDBRJI-OAFYVUHTSA-N	509.603	1.829	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3cccc(OCCCN)c3)CC2)OC[C@@H]1n1cnc2c(N)nc(N)nc21	257257752	KQXYYHHUBDJHJN-UUOWRZLLSA-N	510.599	1.106	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O	257382276	AXZPAGVFIVOODG-FGFFRNBDSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(CC[C@]5(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)C[C@@]43CC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	605851154	UPADPCUOTDTWHH-CRTWZWCTSA-N	768.982	1.752	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CC(=O)N2CCC[C@@H]2C(=O)N1	643564773	FKLJOAYRJIPFBC-ILWGZMRPSA-N	515.655	1.157	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1	222797604	GGCFFRVBZQRZDQ-UHFFFAOYSA-N	511.622	1.683	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H]([C@@H](C)c2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O	253389915	NZNSTOHSZZLSNP-VRSRDAJWSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
CCCCC[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)C=CC=CC=CC=CC=C(C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O	299806131	IMQSIXYSKPIGPD-LBJRRWSHSA-N	654.838	1.888	0	40	KDAB	biogenic,in-man
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(C1CCNCC1)C2	514287596	OXKJAJPGJRFICJ-QIXRUXETSA-N	549.672	1.481	0	40	KDAB	
Cc1ccc(C)c(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C)ccc2C)c1	575420186	AFKBKOUUYKAYKO-VQTJNVASSA-N	530.690	1.047	0	40	KDAB	
O=S1(=O)C[C@@H](O)[C@H](N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)C1	575420854	FSDQXHXYUMPUOL-QZTJIDSGSA-N	632.374	1.339	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1NC(C)=O	575426448	TYRAXMWDJUGAAL-RUZDIDTESA-N	646.766	1.167	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1	10289076	SYMUQXBGVXMBQZ-SFHVURJKSA-N	523.633	1.454	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1OC	13121561	RLGUJNPGZDYFDX-IBGZPJMESA-N	525.649	1.590	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl	19820928	UXHVBMCTPLIKBM-OAQYLSRUSA-N	528.009	1.542	0	40	KDAB	
Cc1cccc(-n2nnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1	103061080	LXFSAWJWWZABMU-UHFFFAOYSA-N	559.674	1.559	0	40	KDAB	
CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c(=O)n(C)c1=O	103071286	IRMBUULSYWKWGV-UHFFFAOYSA-N	531.591	1.306	0	40	KDAB	
COc1cccc(N(CCCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)c1	224106890	NTQMDAJPAXPOPH-UHFFFAOYSA-N	541.648	1.910	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1	224482197	QVNJWPVHUMQLAJ-UHFFFAOYSA-N	537.660	1.442	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043187	YADTWKNLURWCCA-QNYSSNLOSA-N	678.745	1.765	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCNC1=O	643564932	NZSUHIOXSJDDKE-YHELAOLJSA-N	502.612	1.241	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CC2)cc1	13675790	FWYZTNHLOKNVKZ-UHFFFAOYSA-N	507.634	1.471	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)CC2)cc1	30871034	LVWSQYRVIIINEK-HXUWFJFHSA-N	514.025	1.709	0	40	KDAB	
CCOC(=O)C1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@H]2CCCO2)CC1	57595150	NOXDGLXDDQEGSR-VGOFRKELSA-N	510.551	1.787	0	40	KDAB	
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1	217640689	DJEGDWJOWDTDTF-XQBPLPMBSA-N	506.559	1.425	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C[C@]12C	299817490	FNIRVWPHRMMRQI-MQFPZJAHSA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccc(F)c(F)c3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548890645	UYBBUWXCTPDOSO-OFNKIYASSA-N	602.664	1.818	0	40	KDAB	
CC(C)[C@@H]1CC[C@]2(O)COC(=O)[C@@H]2[C@@H]1/C=C(\CO)C(=O)OC[C@@]1(O)CC[C@@H](C(C)C)[C@@H]2C=C(C(=O)O)COC(=O)[C@@H]21	1772592004	WHDXIPRXUGLIGZ-DCJHZOHOSA-N	578.655	1.632	0	40	KDAB	
CCN1C[C@]2(COC)[C@H]3[C@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1	1857787606	RIPYIJVYDYCPKW-YEDGPPJRSA-N	687.783	1.219	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@]2(O)[C@@H](O)[C@H](CO)O[C@H](O[C@@H]3C[C@@H]4[C@]5(CC[C@@]6(C)[C@@H]([C@]7(C)CC[C@H](C(C)(C)O)O7)[C@H](O)C[C@]46C)C[C@]54CCCC(C)(C)[C@@H]34)[C@H]2O)OC[C@H](O)[C@H]1O	2060989898	LFJNPJBIDAQEHH-VBHAPXQRSA-N	827.018	1.644	0	40	KDAB	
Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)c4c(N)n(C)c(=O)n(C)c4=O)nnc23)c1	3441797	ZVCHOXKLQUBERM-UHFFFAOYSA-N	503.544	1.296	0	40	KDAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223992086	XEUWVKJFIRGOTQ-KRWDZBQOSA-N	505.593	1.786	0	40	KDAB	
O=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1nnc[nH]1	256055665	OXVGZDQFONDZOP-NVNXTCNLSA-N	525.348	1.659	0	40	KDAB	
COC(=O)[C@]1(Sc2ccccc2)C[C@@H]2OC(=O)N(C(C)=O)[C@@H]2[C@H]([C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1	504535964	CVMYPHWPKCZUMN-ZNBTZLMLSA-N	567.569	1.599	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643564772	FHHXEKLAFUHMKJ-SFTDATJTSA-N	503.644	1.063	0	40	KDAB	
Cn1c(=O)c2c(nc(NCCc3ccc(S(N)(=O)=O)cc3)n2Cc2ccc(Cl)cc2)n(C)c1=O	8774897	AKXUPFVMSHJNMH-UHFFFAOYSA-N	502.984	1.437	0	40	KDAB	
CCn1c(=O)c(C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(N)n(Cc2ccccc2)c1=O	22038884	GHXNKHLXHNKICY-UHFFFAOYSA-N	505.575	1.390	0	40	KDAB	
CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	23077476	INMKPIOFLLHFPH-NRFANRHFSA-N	507.996	1.984	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	575372285	PEDLHTCZTNWMIO-LSVNTIQLSA-N	945.877	1.615	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCCN(C)CC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643566600	UYJBPRWXLRFHQF-RSEQLOHWSA-N	549.672	1.306	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CNC[C@@H](Cc2ccccc2)N(C)C)CCCCOC[C@@H](O)[C@H]1O	643586733	ZXACIKVJHGXCAC-NUYPRQGGSA-N	578.795	1.388	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3cc(OC)c(O)c(OC)c3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643912859	CFLUIZOWLIICCY-MLUWVZQDSA-N	697.852	1.563	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)c(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC)c(OC)c1	1879259	ZOXIYCJHLRJPSU-FVIRYLMMSA-N	568.604	1.194	0	40	KDAB	
COc1ccccc1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CCC3	3373077	JHZOJUSQVVMXBV-UHFFFAOYSA-N	525.612	1.899	0	40	KDAB	
COc1ccc(OC)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc3c2=O)c1	3408205	SDGIJPKOFCFFPB-UHFFFAOYSA-N	509.544	1.358	0	40	KDAB	
CC1(C)[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O	35877215	VTSDQSJBKBMGIY-BVSLBCMMSA-N	500.621	1.778	0	40	KDAB	biogenic
CC(C)CN(C(=O)CSc1nnc(-c2cccs2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140774	JRPUQKIROPUMCV-UHFFFAOYSA-N	526.648	1.982	0	40	KDAB	
COc1ccc(S(=O)(=O)c2cnc(N3CC(=O)N(CCc4ccccc4)C(=O)C3)nc2N)cc1Cl	71771603	UNBOBKFLOLHUBF-UHFFFAOYSA-N	515.979	1.972	0	40	KDAB	
Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)N(C)C)c1	224464451	SRKSXXAQZZQCJC-UHFFFAOYSA-N	554.691	1.132	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1O	605858008	AYWNHWGQTMCQIV-ADNXHZBSSA-N	827.018	1.295	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)COc2ccccc2C(=O)N1	643565696	LEUHSGHCKNUKMD-SSEPRJSISA-N	568.719	1.948	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)NCCC(=O)N1	643572329	UTURXBNLEZLUAY-VXKWHMMOSA-N	509.607	1.359	0	40	KDAB	
COc1ccc(OCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccccc2F)cc1	3450667	NKPRLQDVNVZDFT-UHFFFAOYSA-N	526.550	1.949	0	40	KDAB	
CSc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cnccn3)[C@@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)c1	4200972	WEWUGOROGIDBDQ-ZJOUEHCJSA-N	553.670	1.878	0	40	KDAB	biogenic,in-vitro
COc1ccc2c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCCCCCC(=O)O)c(=O)oc2c1C	8790044	SENAFTSEGCAQAW-IBGZPJMESA-N	532.594	1.655	0	40	KDAB	biogenic
COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(OC)c1	15982154	SCCFHVYGANHZBI-ZCCHDVMBSA-N	507.609	1.692	0	40	KDAB	
COc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224257689	HMQPHJSAFLKKBQ-UHFFFAOYSA-N	513.638	1.687	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1S(=O)(=O)N1CCOCC1	224387338	YRBYUOYNFHOBKA-UHFFFAOYSA-N	519.627	1.353	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)O[C@@H](CO)[C@H](O)[C@H]1O	257198382	GWQICLAGXZQERP-UTRVOKJRSA-N	580.542	1.953	0	40	KDAB	
CCN(CC)c1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)C(Br)(Br)P(=O)(O)O)[C@H](O)[C@@H]1O	1529035899	ILXFKEOLRYLPJG-AEHQLWAISA-N	719.110	1.190	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Br)c(C)nn4C)[C@@H]3SC2)s1	2758676	LFLVEYPMNSAFLX-BONVTDFDSA-N	545.466	1.795	0	40	KDAB	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC(=O)Nc1ccccc1Br	13009743	ZUHIDLRWWFAYJY-UHFFFAOYSA-N	502.412	1.829	0	40	KDAB	
CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)nn1	16975169	VOXBFDNTMMHYBV-UHFFFAOYSA-N	502.574	1.820	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	20460327	VDSFOAGXTAWMNC-UHFFFAOYSA-N	521.577	1.699	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCOCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	98023340	SUBKUVQNBDPTSZ-WMPKNSHKSA-N	668.835	1.058	0	40	KDAB	
C[C@@H](O)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O	100771032	SSMKLDJJCIRAMZ-TZMRYXNNSA-N	505.612	1.995	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	139036178	QCNWTSLXQALLCD-SYTMLUPUSA-N	552.561	1.999	0	40	KDAB	
CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21	224493484	WHRQDHHVAPPYKM-UHFFFAOYSA-N	523.633	1.364	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	225544652	LWCLXKHGEYIXMT-CQSZACIVSA-N	533.575	1.788	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(S(=O)(=O)c3cc(C)c(C)cc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C	575424870	VLMUEQPUKCAXET-NVPYSNMXSA-N	630.832	1.564	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)CC[C@H](N)C(=O)O)CCCCOC[C@@H](O)[C@H]1O	643551343	DQRFGSBEEKACQF-POMLREGLSA-N	569.671	1.252	0	40	KDAB	
O=C1NC2(CCNCC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12	1548889537	HNQZMXUEEPXHOX-XLIONFOSSA-N	507.559	1.777	0	40	KDAB	
CCN(CC)CCn1cnc2c1c(=O)n(CCOC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n2C	9184734	ZLKYOSBAIHGQGN-UHFFFAOYSA-N	503.556	1.121	0	40	KDAB	
CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O	15999057	KTCGAIUTVCWFPT-VQTJNVASSA-N	513.682	1.859	0	40	KDAB	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(=O)[nH]c1=O	38140798	PWBKWRNECWSDEH-MUUNZHRXSA-N	548.600	1.928	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1	97990812	LLYFGCVQHOMVRH-HSZRJFAPSA-N	543.621	1.405	0	40	KDAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N(C)c3ccc(Br)cc32)C(C(=O)OC)=C(N)O1	98008908	GIYQVCDWJPSTLX-QFIPXVFZSA-N	523.336	1.807	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(I)cc1	102139106	JJOVPOMGAIBSLV-OKZBNKHCSA-N	535.287	1.588	0	40	KDAB	
O=P(/C(Cl)=C/NCCN/C=C(/Cl)P(=O)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1	102420583	WWYHKLGWBFHCDP-OLAQIDGISA-N	617.452	1.956	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccc2)C[C@]2(COc3cc(-c4cccnc4)ccc31)C[C@H](O)[C@H](O)C2	108318247	XKDSKHKZYQQABA-CDILPITASA-N	539.654	1.784	0	40	KDAB	
C=Cc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	150381749	APIFRRYVTYJXCG-MYDMLHCLSA-N	738.692	1.328	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1	224259188	QYWZJHSTTNYNNZ-UHFFFAOYSA-N	501.602	1.817	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)OC[C@@H]1n1cnc2c(N)nc(N)nc21	257242113	IBDZZKMWPBTECR-DCFHFQCYSA-N	564.647	1.379	0	40	KDAB	
COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC	409136103	SAYVMGYDBXWIOF-VZUCSPMQSA-N	507.258	1.973	0	40	KDAB	
COCC(=O)N1CCN(C(=O)CCn2ccnc2C(C)C)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C	643586857	GILYJCVMIMACCR-ZCUSHOGSSA-N	554.729	1.662	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C	3358351	PFJIQRZMXYKKLZ-UHFFFAOYSA-N	501.561	1.937	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@@H]1C[C@H]2O	4534334	OVMSOCFBDVBLFW-OUFDXEPHSA-N	586.634	1.653	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	8451417	LTVSAWDEMVKFHY-CEMPLAKHSA-N	523.567	1.957	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118928606	LWEDMLOAXCZSBB-XMWKGGJCSA-N	606.665	1.916	0	40	KDAB	
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N1CCOCC1	225536798	CIJVXTUZMUYRLA-KRWDZBQOSA-N	541.623	1.895	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2ccc(OC)c(OC)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551510	MHKNTXPCQBNMIC-RCISDMSFSA-N	580.719	1.983	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568231	RNRZZBBBAQRHNR-SHQBLQIYSA-N	551.688	1.504	0	40	KDAB	
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@@H](O[C@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2060989910	SLAWMGMTBGDBFT-FBHUVGRTSA-N	801.024	1.120	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1	9677457	KKZRTHNXXNDCHA-UHFFFAOYSA-N	509.635	1.098	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cn1c(C)nc2ccccc21	15879623	HLEULJKUXOCPGT-UHFFFAOYSA-N	502.549	1.556	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1	20032895	CDBNNEAPOPCNBY-UHFFFAOYSA-N	520.029	1.210	0	40	KDAB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CSCC(=O)Nc2cccc(C)c2)c(=O)[nH]c1=O	32981924	ILEIQRHUHSQHAW-UHFFFAOYSA-N	511.604	1.979	0	40	KDAB	
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	100091666	XQROXJBPPLRFJG-GKXKVECMSA-N	561.639	1.537	0	40	KDAB	
O=c1oc(=O)c2cc3c(=O)n(-c4ccc(Cc5ccc(-n6c(=O)c7cc8c(=O)oc(=O)c8cc7c6=O)cc5)cc4)c(=O)c3cc12	100930125	SSVUJGRQOQUVST-UHFFFAOYSA-N	598.479	1.290	0	40	KDAB	
COCCN1CCN(CC(=O)N2CCCCOC[C@H](O)[C@H](O)[C@@H](OC)CN(C(C)=O)C[C@H](C(C)C)[C@H]2c2cccc(OC)c2)CC1	643550367	DQYOCGZPCZVEQG-FWLJPKAVSA-N	650.858	1.497	0	40	KDAB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)c3cc4c(=O)n(CC5=CCS(=O)(=O)C5)c(=O)n(C)c4nc3C[C@@H]1C)C2=O	1547211050	LQLYYUGVKWNEAS-BIXPNRAVSA-N	602.021	1.510	0	40	KDAB	biogenic
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccccc2)CC1	19973393	VIMOYCLPGNMGEO-XMMPIXPASA-N	503.563	1.797	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1	101311274	NHVZKXWYFQGVRK-UHFFFAOYSA-N	557.698	1.898	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	101571194	OQNVHIFZVHJAFW-MWTRNUEPSA-N	555.329	1.836	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Br)cc3)CC2)c1	102100748	AWGHXVWNJHGVDS-QFIPXVFZSA-N	544.450	1.936	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(Cl)cc2Cl)c(N)n(Cc2ccccc2)c1=O	103076763	NFWFFQNCOFQRDL-UHFFFAOYSA-N	550.351	1.925	0	40	KDAB	
O[C@@H]1c2cc(I)cc(I)c2OCC1(CN1CCOCC1)CN1CCOCC1	103598672	IBRAERSZUWITAO-GOSISDBHSA-N	600.235	1.972	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1	224272462	PYLPTSBVQQDETL-KRWDZBQOSA-N	513.613	1.672	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565574	JFLQGYVNFMICIF-RSEQLOHWSA-N	577.682	1.271	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](c3ccccc3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643572126	PCFRJXLERPKLCB-ZEZDXWPOSA-N	593.725	1.747	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)NC3(CCCCC3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643572228	UFEWGCOIIZSPLO-DQEYMECFSA-N	585.746	1.708	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1	22246685	LLVPKENMFFOVQJ-HXUWFJFHSA-N	505.593	1.894	0	40	KDAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1	32945129	SPWWVLVBOOFRQC-UHFFFAOYSA-N	516.532	1.210	0	40	KDAB	
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc(C(C)=O)c4)CC3)C2=O)cc1	102851433	KGLLPYSQGNVQQS-VWLOTQADSA-N	528.587	1.198	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	104234730	IEPCYJLTAGEWNI-QKLOIEOKSA-N	602.589	1.642	0	40	KDAB	
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC	601014231	CLEGFGKFODRAPQ-FZDBZEDMSA-N	542.630	1.883	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565463	GULRAYXUJOOPAO-URXFXBBRSA-N	515.655	1.159	0	40	KDAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OC	1868345	XYBDMVXFQAWRIO-OAQYLSRUSA-N	508.409	1.529	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2c(OCC)ccc3ccccc23)c(=O)n1CC(=O)NC[C@@H]1CCCO1	8671470	VFHQHZJAIDQTMV-GOEDOBMLSA-N	510.612	1.929	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1	9042733	WQQAXTIMFPSTHD-IAERKFLBSA-N	522.579	1.567	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)[C@H](C)O)cc1	12528891	SFTZKTMRGJIBQL-QAJFTPDKSA-N	521.617	1.889	0	40	KDAB	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	20033100	TUWLMEORPHCZKZ-UHFFFAOYSA-N	521.661	1.741	0	40	KDAB	
COCCN(C(=O)COC(=O)CCCOc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140489	MASXTRFXESDULR-UHFFFAOYSA-N	540.573	1.558	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)CC2	95848798	AQHVYUQJVBQVPK-SVDVCUKXSA-N	505.589	1.477	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	100042690	VJJPUSNTGOMMGY-UGUZKSQKSA-N	588.562	1.339	0	40	KDAB	
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21	109335635	RTKJPUANVDIPPF-OUOZDZGXSA-N	617.733	1.760	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1C	226080522	ZTYJQXZNHQCWIN-UHFFFAOYSA-N	509.650	1.807	0	40	KDAB	
C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	245241574	JIUQQLFQWGFIKL-FQVLZRSCSA-N	576.628	1.722	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643550943	LFSVDCQYYJQTHY-VTKNMLBTSA-N	531.698	1.697	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1	6546350	BJQJBMFQZPPLKB-AUSIDOKSSA-N	542.618	1.838	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6905069	WTIOUEBDNOIXEW-IBGZPJMESA-N	515.523	1.843	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCCN2CCN(CCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1	19690776	MLQFZSTUNPGXQZ-UHFFFAOYSA-N	508.710	1.958	0	40	KDAB	
CC(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H]([C@@H](OC(C)=O)[C@@H](C)OC(C)=O)CN2	101552268	ZJCHEBFBFOKHNK-OAEOJWKDSA-O	563.591	1.388	0	40	KDAB	
CSc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1	224252571	SBEVMRXMBAOXEJ-UHFFFAOYSA-N	501.652	1.620	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224331038	JZEAUPUNXKQEFL-UHFFFAOYSA-N	550.703	1.524	0	40	KDAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C(=O)O)ccc2C)cc1	575426252	PPRJHTKJWRMUFF-VXKWHMMOSA-N	638.698	1.854	0	40	KDAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)Cc3ccc4c(c3)OCCCO4)CC2)CN1	643566895	YWRAMSNPWBYMLT-XZOQPEGZSA-N	524.614	1.862	0	40	KDAB	
COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)O2)cc1	2055793432	DBQXZWXEXSZEGF-IBGZPJMESA-N	500.581	1.020	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C	12884954	STMKRBLWVDQMGF-FDFHNCONSA-N	508.575	1.840	0	40	KDAB	biogenic
Cn1c(=O)c2c(nc3n(CCCN4CCOCC4)c(-c4ccc(Br)cc4)cn23)n(C)c1=O	20494278	REYYHLXVRHAPON-UHFFFAOYSA-N	501.385	1.838	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3)CC2)cc1	38784296	ZURJHYBHIRFWAA-HSZRJFAPSA-N	507.591	1.341	0	40	KDAB	
Cc1cc(C)nc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1	56918670	ZUNJXNKDHRPXME-UHFFFAOYSA-N	520.663	1.955	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	102911069	WRTBAUKTKQEXES-RUZDIDTESA-N	544.586	1.275	0	40	KDAB	
N=C1C(C(=O)N2CCOCC2)=C(NCCN2CCOCC2)S[C@H]1C(=O)Nc1ccc(Br)cc1	102928123	VRVWOZOVHDKCMX-LJQANCHMSA-N	538.468	1.515	0	40	KDAB	
Cc1cn([C@H]2CC3(CCN(C(=O)c4ccc(OCCN5CCCC5=O)cc4)CC3)OC[C@]2(C)O)c(O)nc1=O	257229328	FXQTWIPPSUIZGG-CUNXSJBXSA-N	540.617	1.646	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)O[C@H](CO)[C@@H](O)[C@@H]1O	1772592002	VWNXVBDTFXPNPS-QQWHZCNCSA-N	897.113	1.089	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC	885933	NJFQGHRGWLQVGK-LJQANCHMSA-N	529.642	1.356	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1	989076	WQQAXTIMFPSTHD-STIKNRRDSA-N	522.579	1.567	0	40	KDAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1	4177797	AZNAMNXCFYAYSW-UHFFFAOYSA-N	538.648	1.287	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	15958429	VTGHXFNCEBBMSE-GSONXBCMSA-N	510.934	1.626	0	40	KDAB	biogenic
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1	20032309	OPPOQZCLJJYEQD-UHFFFAOYSA-N	513.613	1.802	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1	224482502	PBPNQDFIDFCVGA-UHFFFAOYSA-N	523.633	1.301	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1	408693053	DDQSTEPMJSLOPH-UHFFFAOYSA-N	511.622	1.999	0	40	KDAB	
COc1cccc(NC(=O)N2CCC3(CCOc4cc(N5CCOCC5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)c1	1548889661	JWNLWMKSZRLEIE-NOZRDPDXSA-N	629.736	1.621	0	40	KDAB	
CCOC(=O)c1cc(N)cc(CN2CCOCCOCCN(Cc3cccc(C(=O)OC)n3)CCOCCOCC2)n1	1857523720	NXIKTSBSIRKUDI-UHFFFAOYSA-N	589.690	1.406	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1	2037928466	LZUKHKXPFYJZAC-HHHXNRCGSA-N	528.581	1.621	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCOCC1	8692526	GCXDPOXUMRJGTD-IBGZPJMESA-N	511.597	1.947	0	40	KDAB	
CC[C@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1	16050385	NHUFBRORLCGDBJ-RDJZCZTQSA-N	506.668	1.506	0	40	KDAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	20033132	XJWWAYLKYZYLJA-UHFFFAOYSA-N	521.661	1.741	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O	32957702	LADWAATYJWUWMC-MYYSRTQBSA-N	506.604	1.035	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccc2)C[C@@]2(COc3cc(-c4cccnc4)ccc31)C[C@H](O)[C@H](O)C2	108318231	XKDSKHKZYQQABA-WWQFTLRMSA-N	539.654	1.784	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@@]5(C)C(=O)[C@@H](O)[C@H]3[C@@H]2[C@]45O)O[C@H](C)[C@@H]1O	119173842	XYPIGUUTGMMFPH-BIJDEICYSA-N	562.656	1.276	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216305343	AEDVJDMITHPZNB-HRZDXHFQSA-N	525.532	1.506	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224332439	SIONZLLJPJWGQS-QGZVFWFLSA-N	513.613	1.960	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)C(=O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	253597601	MJRBQYVTTDHVQN-IJEGROIWSA-N	808.959	1.445	0	40	KDAB	biogenic,in-vitro
COc1ccc2[nH]c(=O)c([C@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)cc2c1	524731967	RAKXTCBHNSYJLT-MMOPVJDHSA-N	558.591	1.984	0	40	KDAB	biogenic
CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)C1=O	643556073	GMMPYSZUDDOZGJ-MHZLTWQESA-N	541.626	1.693	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643566758	JSHDKRMQQPOKSP-XUZZJYLKSA-N	515.655	1.207	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN2CCCN(C)CC2)CCCCOC[C@@H](O)[C@H]1O	643586628	BDRTZVKQEKKTHD-AZUODYCOSA-N	594.769	1.696	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC	6631407	ZNMNHIYAALUXGR-NRFANRHFSA-N	541.586	1.996	0	40	KDAB	
COc1cccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)N3CCN(c4ccc(F)cc4)CC3)[C@H](O)[C@@H]2O)c1	8627134	HBTYRTLBRIZCIP-SGKWCMOWSA-N	502.543	1.184	0	40	KDAB	biogenic,in-vitro
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)cn4)[C@@H]3SC2)s1	9355860	LEANVNGAASSOPT-NVNFVWPKSA-N	501.015	1.788	0	40	KDAB	
O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1	12699805	FXQJXNGCHSYSLX-UHFFFAOYSA-N	503.599	1.055	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1	19818672	ISZFMHKEYCBIHP-LJQANCHMSA-N	504.513	1.578	0	40	KDAB	
O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1	38144985	ZMEFTNXOBMLJFP-UHFFFAOYSA-N	587.659	1.711	0	40	KDAB	
O=C(c1ccccc1S(=O)(=O)NC[C@H](O)COc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)N1CCOCC1	100576446	ZWKVBOMSCBJWEN-PMVMPFDFSA-N	569.636	1.333	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	103009325	IHHUGJRHMGTQDQ-UHFFFAOYSA-N	536.676	1.318	0	40	KDAB	
Cc1nn(C)cc1S(=O)(=O)NC[C@H](O)[C@]12CC[C@@H](N(C)C)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2	257286657	PMLAVRNQLXJJFJ-WYMPBYHASA-N	506.669	1.544	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H]2CO[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)cc1	514288353	ATSWFAAKRCDXBG-FDFHNCONSA-N	515.554	1.943	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	575372283	PEDLHTCZTNWMIO-AMJXHRTJSA-N	945.877	1.615	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)CC(=O)NCCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643570309	XXUFGSOPSAHACJ-IMSXRSKXSA-N	536.629	1.738	0	40	KDAB	
CCC(CC)NC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643577222	SJDAAAKQFCTXEW-KCHLEUMXSA-N	645.761	1.557	0	40	KDAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccc(Br)cc32)C(C(=O)OC)=C(N)O1	1245316	GJXAUQXONWGLIU-NRFANRHFSA-N	509.309	1.783	0	40	KDAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(CC)C4)cc2)CC1	3007083	VOYCHQCXKCMEFU-UHFFFAOYSA-N	549.675	1.940	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O	77268868	CMZFNIMQBCBHEX-JRIAKSEUSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	96398796	ASPBBCLDLVSPDM-XDHOZWIPSA-N	520.564	1.708	0	40	KDAB	
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1S(=O)(=O)N1CCOCC1	225536771	CIJVXTUZMUYRLA-QGZVFWFLSA-N	541.623	1.895	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	242390208	AEDVJDMITHPZNB-RCUFNAHASA-N	525.532	1.506	0	40	KDAB	
CC[C@H](C)[C@H](O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC	253480984	CPKXIKIVLSMABL-GLECVMAESA-N	752.892	1.204	0	40	KDAB	biogenic,in-vitro
COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	256055746	RPRKGUOZZWPOPN-BKUYFWCQSA-N	564.605	1.434	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	260890949	VQXARKMGZHUJFJ-QGZVFWFLSA-N	576.093	1.719	0	40	KDAB	
CN1CC(=O)N(CCCOc2ccc(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O	585281216	HDYIWCLDDMVZCI-OZXSUGGESA-N	501.555	1.865	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N2CCC[C@@H]2C1=O	643569489	HINRQSSYIXUQKT-XZOQPEGZSA-N	524.593	1.905	0	40	KDAB	
NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CC[C@@H](C(=O)N2CCCN(Cc3ccccn3)CC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643575021	JISKZXAWXXJKAG-NWAHQLIBSA-N	730.911	1.683	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(c4cccc(Cl)c4)CC3)n2CCSc2ncccn2)n(C)c1=O	9089026	SZEKSGNHWXUZIG-UHFFFAOYSA-N	513.027	1.996	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1	10256482	VPLLHDWLPCPEOL-UHFFFAOYSA-N	506.592	1.482	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1	12631957	DBZPYOLLACMYKN-HXUWFJFHSA-N	506.577	1.396	0	40	KDAB	
Cc1cccc(OC[C@@H](O)Cn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1	56978340	XFHMXTMLROPIAA-QFIPXVFZSA-N	518.618	1.504	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	59816448	HFDOMMKSHGSQSH-HSZRJFAPSA-N	542.036	1.995	0	40	KDAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	70665508	IQPQUCSPCDSVLE-SUVAEINISA-N	629.615	1.874	0	40	KDAB	
Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1	100957024	MRMLRVAVQLUZFA-UHFFFAOYSA-N	529.404	1.737	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	215934110	AQKPXOWLUQPPRH-PKVRHFRDSA-N	531.514	1.661	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	225230158	RXVLVGALFIGMTG-UHFFFAOYSA-N	554.716	1.987	0	40	KDAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CCn3ccc(C(F)(F)F)n3)CC2)CN1	643565815	KCWBBNFSJSGHNK-RBUKOAKNSA-N	524.540	1.764	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(Cl)ccc1OC[C@@H](N)Cc1ccccc1)C(=O)O	2037879782	PTJQSJDXDIHBLI-LEDOBFOHSA-N	533.025	1.878	0	40	KDAB	
CCOCOC[C@H](O)[C@@H](OCOCC)[C@H](OCOCC)[C@@H](OCOCC)[C@@H](O)CP(=O)(OC)OC	2056127421	SCLBCMCXPRADKK-WHZJULEDSA-N	536.552	1.342	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1OC	860075	BCGFTYIHEMNDGI-GRTQGXPSSA-N	522.579	1.567	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(Cl)cc1	2288302	FAZOSTMCIBBQCK-NHFXJNLRSA-N	522.970	1.264	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2C)cc1	12627682	PNLVXTUTMBHOGP-UHFFFAOYSA-N	512.548	1.190	0	40	KDAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)C(=O)N3)cc1OC	100137319	VSUHIAUOHDAOEY-NRFANRHFSA-N	524.477	1.998	0	40	KDAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(S(C)(=O)=O)ccc21	100872774	VYEQNIFTCCXTLV-FCQUAONHSA-N	539.657	1.515	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(F)cc1F)c(=O)n2Cc1ccccc1	103054385	GCBOUHRXFVPZJX-UHFFFAOYSA-N	527.484	1.515	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@]24[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]24O)O[C@@H](C)[C@@H]1O	118939770	WZCKFKUUQUMLRX-DTDJRSGMSA-N	562.656	1.421	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	253505562	KXHCYYSIAXMSPA-HCCJEKCCSA-N	869.055	1.866	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1	643575411	DZFYZNBIZGWDCM-HRNNMHKYSA-N	648.786	1.820	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2ccc(O)nn2)CCCCOC[C@@H](O)[C@H]1O	643586543	OTZGSPUOYBQVKT-DGWZTRNLSA-N	562.639	1.869	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N(C)CC(=O)O)CC2)cc1	8918135	JEHSXIGHOHQCKG-QFIPXVFZSA-N	501.605	1.666	0	40	KDAB	biogenic
COC(=O)Cn1c(=O)c(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(N)n(Cc2ccccc2)c1=O	13026891	FBNVVSGJXPZDDK-UHFFFAOYSA-N	509.559	1.756	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13301310	XYWZWQBEWGQXQR-SVDNCKMHSA-N	515.515	1.582	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	15954593	NDZHVBKIFZZSOO-CRYYWNKWSA-N	511.575	1.047	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1	20030670	LVKHUGRRGJGQRL-UHFFFAOYSA-N	503.602	1.850	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	20031685	BDTUSGMRXYVQPK-UHFFFAOYSA-N	521.661	1.733	0	40	KDAB	
O=C(OC[C@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	150393789	LKYVQJCRMHFBND-NANFOGFDSA-N	642.621	1.974	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)S(C)(=O)=O	223188064	PSUWTDVGHGMSQV-DEOSSOPVSA-N	534.654	1.105	0	40	KDAB	
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1	224482690	HXUNJNBWQGNBKP-UHFFFAOYSA-N	551.687	1.937	0	40	KDAB	
CCN1C[C@@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@H]1[C@](O)([C@H](OC)[C@H]32)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC	249693071	NNDHDYDFEDRMGH-ILKKBLFJSA-N	586.726	1.718	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2CC[C@@H](n3cc(F)c(O)nc3=O)[C@@H](O)[C@@H]2O)c1	257235422	GXUFXVDSIHWCCQ-UAFMIMERSA-N	536.557	1.237	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)NCCCOc3ccccc3C(=O)N2)n1	643566825	ZENVWVTYTYTNNX-WMZOPIPTSA-N	501.609	1.092	0	40	KDAB	
CC(C)(CC(=O)O)CC(=O)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12	4147915	VCECNUUMWKEGCC-MOXQZVSFSA-N	516.555	1.017	0	40	KDAB	biogenic,in-vitro
CCN(CC)CCNC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	6511871	YAQKKPAGOYYBGW-HWRPZNHGSA-N	596.630	1.229	0	40	KDAB	
CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(S(C)(=O)=O)cc1	22922864	UITBBTXVKKIVBP-PWWKTKHKSA-N	516.639	1.699	0	40	KDAB	biogenic,in-vitro
CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)c1	102902231	XSJHILNNMGSBIN-UHFFFAOYSA-N	532.438	1.778	0	40	KDAB	
Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224209884	HHRLDVCLMAVIGF-UHFFFAOYSA-N	504.030	1.860	0	40	KDAB	
Cn1c(=O)n(C)c2cc([C@@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)ccc21	524729969	PPOPQTRPHDJUNX-IMFGXOCKSA-N	545.596	1.324	0	40	KDAB	biogenic
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	2049252025	IPWQJEONCUFCOR-HFDUNWGVSA-N	710.821	1.952	0	40	KDAB	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCC1	4018357	PUEHTZIETDQCKV-NSOVKSMOSA-N	652.836	1.821	0	40	KDAB	
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1	12634631	GJYLNMWIXOYGOV-LJQANCHMSA-N	524.983	1.642	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccco1	24032175	DTXVEOWLTUIWAG-SFHVURJKSA-N	506.855	1.986	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337646	FCMCUAXTOPRMCC-UHFFFAOYSA-N	523.059	1.762	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)c(Cl)c1	224449970	VBQSORNTPNOENT-UHFFFAOYSA-N	550.030	1.461	0	40	KDAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643565916	RVXRSBDWSNCHPM-JYFHCDHNSA-N	538.645	1.924	0	40	KDAB	
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N(C)CC(=O)NCCCCC(=O)N[C@@H](C)COc3ccccc3C(=O)N2)n1	643569224	OHPYBGLLRKQJND-REWPJTCUSA-N	614.769	1.721	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N(C)CC(=O)N1	643571803	JQWMZQNUALAOLX-SVBPBHIXSA-N	593.725	1.705	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N2CCN(C(C)C)CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643582725	VJHRVLXGCYXVDF-YADHBBJMSA-N	515.655	1.109	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1cccnc1)CC2	1548889040	FEEWUSDJBJWTOL-MOPGFXCFSA-N	515.592	1.171	0	40	KDAB	
COC(=O)COCC(=O)N1CCN2C(=O)c3cc(-c4cc(Cl)ccc4OC)ccc3NC(=O)[C@@H]2C1	3838547	UWGYAKCRLSFJLG-IBGZPJMESA-N	501.923	1.810	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)NC[C@@H]1CCCO1	9409637	YQJQKGUIGPXWHF-YLNNLZOCSA-N	527.618	1.911	0	40	KDAB	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)C1	12483989	BNNMSUXZCPQJRL-KRWDZBQOSA-N	510.590	1.858	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@@H]1c1ccc(C)o1	12792710	NKJPXADIZBFWGU-LJQANCHMSA-N	500.439	1.958	0	40	KDAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1	12921499	OVDLTQBDQBJJIN-RUZDIDTESA-N	531.635	1.889	0	40	KDAB	
O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NCCCN1CCCC1=O	15981538	FNNMMGKFAUONID-UHFFFAOYSA-N	514.586	1.585	0	40	KDAB	
CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCCN2CCOCC2)c(=O)c2cc3c(cc21)OCO3	20589840	SJNXVEKLJCEOEK-IBGZPJMESA-N	518.636	1.440	0	40	KDAB	
COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1	22519052	CYSYFYSFKFHWEU-UHFFFAOYSA-N	503.986	1.993	0	40	KDAB	
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CCCC2	35526379	WBVXVVXVIGJHSO-UHFFFAOYSA-N	520.633	1.442	0	40	KDAB	
Cc1ccc(OC[C@H](O)Cn2c(NN3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1	57111106	SLZQBSNQVMHEAC-OAQYLSRUSA-N	519.606	1.316	0	40	KDAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)CC2)cc1	95570364	LAAGVWVMDQNIGF-RTBURBONSA-N	549.671	1.834	0	40	KDAB	
COc1ccc(C2=NO[C@H](CO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1	100230682	IXGOAUDJFVQZQQ-NNCFWGSKSA-N	537.518	1.288	0	40	KDAB	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	102804375	LYAGMCSCYXQWFA-ISJGIBHGSA-N	606.680	1.677	0	40	KDAB	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c2)CC1	103054989	BZIYRKIQKDWTQH-UHFFFAOYSA-N	549.403	1.667	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1	222585598	LKAJJENFPANLNK-LJQANCHMSA-N	509.650	1.889	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	224499951	GTMRHMLIYKSPJJ-UHFFFAOYSA-N	551.687	1.612	0	40	KDAB	
NNc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@H](CC(=O)O)C(=O)O)C(=O)O)cn1	585656273	KYLABLZWEPFTQV-SYEZAVJTSA-N	847.927	1.079	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643568202	OPVOOJKOXNNONC-VWNXMTODSA-N	549.672	1.354	0	40	KDAB	
CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CC[C@@H](O)C4)[C@@H](C=CCOc4ccccc4C2)C3)CC1	958317709	GQLXDPIENUHOOT-JCYRPKCISA-N	510.679	1.979	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)c(=O)n(C)c1=O	3240665	IEUVKURVVGWMGJ-UHFFFAOYSA-N	551.375	1.269	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1cccc(F)c1)c(=O)n2Cc1ccccc1	12540792	XUMZKDUJWSUHCD-UHFFFAOYSA-N	509.494	1.375	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1	22609785	DRZWPLDVOKMIRR-QFIPXVFZSA-N	530.025	1.835	0	40	KDAB	
O=C(NC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2)NC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2	101474043	UYGAOXYUDPSWIF-WHVNAMDYSA-N	566.246	1.047	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Br)cc3)CC2)c1	102100753	AWGHXVWNJHGVDS-JOCHJYFZSA-N	544.450	1.936	0	40	KDAB	
Cn1c(=O)c(C(=O)CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)Cc2ccccc2Cl)c(N)n(Cc2ccccc2)c1=O	150387202	IXPXWQJDPIEFCX-UHFFFAOYSA-N	684.153	1.890	0	40	KDAB	
O=C(Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)c1ccccc1	223703009	KSUMVQJZZYQZMH-UHFFFAOYSA-N	509.591	1.612	0	40	KDAB	
Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224442981	IFTTUNUFNGLTEF-UHFFFAOYSA-N	546.067	1.631	0	40	KDAB	
Cc1cnn(CC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	585286806	QXLAJXHHDFMLAX-RUZDIDTESA-N	504.031	1.994	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@H](N)CCCCN)CCCCOC[C@@H](O)[C@H]1O	643551364	GZKVNPNAXXPTHG-FPCALVHFSA-N	568.731	1.516	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4nccs4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548889068	FZHRWCQEZJYIMD-RTWAWAEBSA-N	572.713	1.601	0	40	KDAB	
O=S(=O)(c1ccccc1)N1CN(S(=O)(=O)c2ccccc2)CN(S(=O)(=O)c2ccccc2)C1	1735322	ZMEDTJVWRLFNFS-UHFFFAOYSA-N	507.615	1.945	0	40	KDAB	
NS(=O)(=O)c1ccc(N[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1	1805279	PHWHZLLNMJVHKD-INIZCTEOSA-N	541.822	1.403	0	40	KDAB	
COc1ccc(-c2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3ccccc3n2)cc1OC	2652911	FPAVQLBNMKNTEI-UHFFFAOYSA-N	504.499	1.938	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	8451415	LTVSAWDEMVKFHY-PGGUJSHWSA-N	523.567	1.957	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCc1ccc(F)cc1)c(=O)n2Cc1ccccc1	12540791	XWYUEXMIZYUZNA-UHFFFAOYSA-N	523.521	1.053	0	40	KDAB	
CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCN2CCOCC2)c(=O)c2cc3c(cc21)OCO3	13609412	DZCZUPLQXDMKDS-SFHVURJKSA-N	504.609	1.050	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1	16043564	GMYQJYQHONUQMF-UHFFFAOYSA-N	509.606	1.308	0	40	KDAB	
CCOC(=O)Cc1csc(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1	32954357	QRGHIXHBZKJYFT-UHFFFAOYSA-N	503.606	1.874	0	40	KDAB	
CC[C@H]1OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H]1C	52429262	WWWXDCNRNMZGEN-DMVOQBHISA-N	546.698	1.566	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	62725291	WSIIBQIRXPPYHU-KWLWEVDOSA-N	511.505	1.198	0	40	KDAB	
COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	67890427	AHOFOTUVRZOCMU-WZYRSQIMSA-N	545.580	1.304	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCc2nnc(S[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3NC(C)=O)n2C)cc1OC	103504989	XYKXKKAJJSYDFW-PDIHAJQMSA-N	608.670	1.366	0	40	KDAB	
COc1ccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4ccc(OC)cc4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)cc1	103770525	XYUFSJXFBBLYHF-UHFFFAOYSA-N	557.519	1.369	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCOCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1	150606549	IMSCNTQJQHTMSG-NSOVKSMOSA-N	712.888	1.074	0	40	KDAB	
O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223293315	SAQJHSHOTMBZFI-MUUNZHRXSA-N	567.664	1.965	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	255997338	QOACISSHGAAMLK-XOILDGSSSA-N	683.667	1.141	0	40	KDAB	
Cc1ccc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)nc2c1	257296883	REURGTGSRLOMNE-NFQMXDRXSA-N	549.632	1.325	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(OC)ccc3OC)cc2)c1	575422827	OJKMLTNMILSYOJ-YADHBBJMSA-N	642.730	1.875	0	40	KDAB	
COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC	2644627	VLFLECBNHNCLDT-UHFFFAOYSA-N	503.489	1.992	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1	3208971	PNGHLQIPDGCSBQ-UHFFFAOYSA-N	524.665	1.373	0	40	KDAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(NC(C)=O)cc2)CC1	38784382	OZATXXPTICEFLP-QHCPKHFHSA-N	522.606	1.131	0	40	KDAB	
CC(C)n1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)ccc21	257282404	OTPXHNLBQHGRKT-JIPXPUAJSA-N	549.632	1.752	0	40	KDAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)O2	260890991	WEMDSWFZRYBOKR-XMMPIXPASA-N	581.713	1.727	0	40	KDAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C	408635787	DACPFHVFLVRBEM-UHFFFAOYSA-N	508.549	1.837	0	40	KDAB	
Cc1ccc(C)c(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C)ccc2C)c1	575420185	AFKBKOUUYKAYKO-UXHICEINSA-N	530.690	1.047	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643572438	CTOOPHILOHUJOL-URZSDBKHSA-N	678.831	1.502	0	40	KDAB	
COC(=O)c1c(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)sc2c1CC[C@@H](C)C2	2644381	PUDJXVPENIPKDY-CQSZACIVSA-N	549.631	1.492	0	40	KDAB	
CCc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2=O)cc1	13129193	UGUXGLRAXHRQRY-OAQYLSRUSA-N	513.616	1.987	0	40	KDAB	
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032921	FQBHWZDDTOSJFG-UHFFFAOYSA-N	523.677	1.891	0	40	KDAB	
Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	20638958	BTUYHYLZGBPRIX-JOCHJYFZSA-N	507.591	1.197	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@@H](O)[C@@H](O)[C@H]1O	85924060	PLORCKNHUZJPKH-FXIDPNGLSA-N	580.542	1.953	0	40	KDAB	in-man
COc1cc(C(=O)NC(=S)NCCNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	97983930	RYWVGPKHOSMQLQ-UHFFFAOYSA-N	566.658	1.647	0	40	KDAB	
CCC[C@H]1C[C@H](C(=O)N[C@@]2([C@@H](C)OC(C)=O)O[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)N(C)C1	100639950	DARVXQDVSMWTSV-GWLPHXNUSA-N	560.666	1.385	0	40	KDAB	
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	253534326	NRRXDXZXLJSBPH-SPWUPQRPSA-N	724.885	1.339	0	40	KDAB	biogenic,in-vitro
CC(C)c1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)ccc2[nH]1	257293076	QOADXYACFYCUBO-NFQMXDRXSA-N	549.632	1.821	0	40	KDAB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	575424376	KPBSEZSMBFRHMF-VHSXEESVSA-N	504.628	1.924	0	40	KDAB	
CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1)c1ccc(F)cc1	643566130	PYWQQYHVAKQECK-NHTMILBNSA-N	595.672	1.542	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N(C)CC1=O	643567243	AKRBLFHAYFWTIQ-QHCPKHFHSA-N	554.619	1.488	0	40	KDAB	
CC[C@H](C)NC(=O)Cn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2sccc21	9598822	UKAPZDXEYPSLPB-HNNXBMFYSA-N	502.593	1.516	0	40	KDAB	
COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1	13565690	BLALJHUTOJBJIR-QHCPKHFHSA-N	516.620	1.670	0	40	KDAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	25329700	VMQFTKIHRFXVNI-UHFFFAOYSA-N	501.605	1.713	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1	40462758	FNWMNPWXFKKJJU-LJQANCHMSA-N	515.617	1.686	0	40	KDAB	
COc1cc(C(=O)O[C@@H](CN2CCOCC2)Cn2nnc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC	72266826	KUUKBTYSAHIXTN-KRWDZBQOSA-N	574.587	1.401	0	40	KDAB	in-man
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224384853	ARKCEBDPSRRDBE-IBGZPJMESA-N	567.686	1.982	0	40	KDAB	
COc1cc(N2C(=O)N[C@@H](CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)C2=O)cc(OC)c1OC	524731817	LSNVPVBFLLTPQS-FZCLSBEQSA-N	500.552	1.387	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C)c(C)c2)cc1C	575425154	YOLYUZWMFYKRPL-FGZHOGPDSA-N	530.690	1.047	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643564380	IPRASKNWLSHJLM-ZCVJKFOLSA-N	515.655	1.205	0	40	KDAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)c1	643568773	FUANBZSFCMVCBP-JMKIJFPCSA-N	623.751	1.865	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCOCC2)CC(=O)N(Cc2ccccc2)CC1=O	643570681	OBYXVDHPMAVFNQ-SANMLTNESA-N	579.698	1.283	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccccn4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548890993	VKFZHIWBDWEVOE-RPWUZVMVSA-N	566.684	1.540	0	40	KDAB	
O=S(=O)(Cc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4ccnc4)cc3)CO[C@H]12	4147879	IOFBEPMVXRJCDB-FNAHDJPLSA-N	509.548	1.478	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N	6546936	CTDYWQOOSBTGGM-FQEVSTJZSA-N	545.574	1.497	0	40	KDAB	
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	14360491	WHUHWNGIPQXPRR-QFIPXVFZSA-N	503.577	1.644	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c(C)c(C)c(=O)oc2c1	15954474	KXINCAOQEWAXDE-UZTOHYMASA-N	513.591	1.483	0	40	KDAB	biogenic
CCOC(=O)CC[C@H](NC(=O)c1ccccc1C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	17413846	FQLVTZLYFJWGPI-BGYRXZFFSA-N	536.578	1.696	0	40	KDAB	
CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1	32811082	VAVAMGPXQPHMEK-DEOSSOPVSA-N	500.577	1.385	0	40	KDAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1	38145102	HWMAARFTNRYYBK-XMMPIXPASA-N	546.646	1.679	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	70701398	VMRFIHOXIDPZJS-WTLLVQHOSA-N	541.004	1.894	0	40	KDAB	biogenic
O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1[C@H](c1ccncc1)c1c(O)[nH]c(=O)n(-c2ccccc2F)c1=O	100725003	BHZRXEHMWGGACA-GOSISDBHSA-N	533.447	1.630	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCOCC1	224304052	GPHFJUOGUVONAS-UHFFFAOYSA-N	553.659	1.309	0	40	KDAB	
C[C@@H]1O[C@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@H](O)[C@@H]1O	253499158	WPVGSIBYLZQSIK-SPYZQCTFSA-N	536.662	1.429	0	40	KDAB	biogenic
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)[C@H](N)[C@H](C)[C@H](O)[C@]1(C)O	306122636	XCLJRCAJSCMIND-RUBHXANHSA-N	734.969	1.544	0	40	KDAB	biogenic
O=C1C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643565395	DTJVQUOQRPKUOZ-NSOVKSMOSA-N	611.699	1.850	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N(CC)CC(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643579367	UWUMGORHHMOWBL-FCHUYYIVSA-N	515.655	1.111	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O	12883066	SYRLGRSPYCBUON-FSSWDIPSSA-N	506.559	1.690	0	40	KDAB	biogenic
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1	13513703	OBVFYQDPLCCEJQ-NRFANRHFSA-N	509.636	1.844	0	40	KDAB	
CCOC(=O)CCCCC(=O)N1CCOCCOCCN(C(=O)CCCCC(=O)OCC)CCOCC1	13596357	DBXCLUSGLUHROO-UHFFFAOYSA-N	530.659	1.954	0	40	KDAB	
Cc1cc(Cl)c2c(c1)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15959617	UBCMHGNPDGNOIC-YVMWEGPTSA-N	510.934	1.563	0	40	KDAB	biogenic
CC1(C)[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)NC2=O	16577270	QTJLKUZRKQGTQP-ZMZPIMSZSA-N	504.503	1.812	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	59838656	DUKUTLDFULZIRX-OAQYLSRUSA-N	551.687	1.742	0	40	KDAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1	85876580	CMIMSNSYFZLOCQ-PKTZIBPZSA-N	559.667	1.918	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	97946008	FZWWNVMKBAJIDE-UHFFFAOYSA-N	540.689	1.419	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1	223221387	AAFLDLFHWIIPHF-GDLZYMKVSA-N	611.717	1.844	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1N1C(=O)CCC1=O	223545241	SNXJNKTUXQRWAT-UHFFFAOYSA-N	507.590	1.352	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@@H]([C@H](C)CC)N(C)C1=O	1086455175	AIPPDKJKKDOWTJ-BCSNZSCKSA-N	621.820	1.952	0	40	KDAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Cl)c(C)nn4C)[C@@H]3SC2)s1	2747957	NREKQWVIVINMIT-BONVTDFDSA-N	501.015	1.686	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](Sc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	4403153	OJVHDCHVHOISBO-FVHQYWPVSA-N	728.722	1.398	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	12562639	SMRCDRUPHYVSNL-UHFFFAOYSA-N	503.562	1.551	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	34633323	ARPVHNFYZHWCNQ-POHUPDAJSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	224460314	ACFDRFBGLAYORC-UHFFFAOYSA-N	558.078	1.954	0	40	KDAB	
CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)CNS(C)(=O)=O)CC2)CC1	257335764	YLTLTRXNYUKDBB-UHFFFAOYSA-N	501.049	1.041	0	40	KDAB	
CCS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc21	260886031	CPBWZQFVDSPUMB-HSZRJFAPSA-N	537.660	1.974	0	40	KDAB	
CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4ccccc4C(=O)N3)CC[C@@H]2O)cc1	514287503	HCUDWCCHTVVMMY-AUQUEVEYSA-N	557.669	1.270	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)c4ccc(Cl)nc4)CC3)c3c1OCO3)CCN(C)C2	524730881	ASGVNIAINGKDED-UHFFFAOYSA-N	508.984	1.607	0	40	KDAB	biogenic
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)OC(C)(C)C=C4)cc1	584578921	WNTBDGJNPGBIQF-BTHRRCHNSA-N	658.653	1.417	0	40	KDAB	
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N1C	643574766	PGUGYYRPRPPDJC-HJOGWXRNSA-N	566.655	1.759	0	40	KDAB	
Cc1noc(C)c1CN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890380	OSPOGFZOOPQTJE-VWNXMTODSA-N	584.699	1.749	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	2287449	YMFQLTXQMUTSLQ-SADKCHQCSA-N	505.552	1.772	0	40	KDAB	
COCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nnc1-c1ccncc1	3314006	NRYUTJCWEMRCKR-UHFFFAOYSA-N	507.576	1.452	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O	12975864	QARCRLWOIKYWRD-SFHVURJKSA-N	531.610	1.007	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	13134779	VWUJATJMCVTEPP-UHFFFAOYSA-N	511.597	1.302	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3cccc(OC)c3OC)NC(C)=O)CC2)cc1	13150594	NVPONJSJNFSBRG-JOCHJYFZSA-N	519.620	1.729	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	20031798	WDGUIILFJWDYMY-NRFANRHFSA-N	521.661	1.733	0	40	KDAB	
CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12	70691597	ZROBFGFYYIZSQW-PRDVQWLOSA-N	520.487	1.817	0	40	KDAB	biogenic
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3ccccn3)CC2)CC1	102920275	TVKYKNITZXXCFU-UHFFFAOYSA-N	539.662	1.687	0	40	KDAB	
COCCOC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2N)sc(C(N)=O)c1C	103062259	JQYXCMKCNKWYME-UHFFFAOYSA-N	538.583	1.713	0	40	KDAB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	103093646	CCEBJRPERCVOAE-UHFFFAOYSA-N	551.618	1.621	0	40	KDAB	
CN(CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	103140654	QJJFQRUULCWDBI-UHFFFAOYSA-N	530.024	1.927	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3C[C@@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	253498642	GHUUTEXYFBCKSM-FISKQJSLSA-N	738.912	1.361	0	40	KDAB	biogenic
CC(C)(C)OC(=O)NCCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@H](O)[C@@H](n2ccc(O)nc2=O)[C@@H]1O	257299696	RRCJMBGJIWFQOT-BZRIBIQUSA-N	516.595	1.565	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567495	IAGINSAHJVLHHE-DQEYMECFSA-N	559.623	1.213	0	40	KDAB	
O=C(CN1CCc2ccccc2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	8685535	BMLQXRGPEJCNPG-UHFFFAOYSA-N	500.621	1.541	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)[C@H]2SC1	97948365	WOZLUSODATVCBH-YVEFUNNKSA-N	567.340	1.844	0	40	KDAB	
O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C(c1ccccn1)c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O	103770612	OUVAZBBWHICSMD-UHFFFAOYSA-N	561.501	1.748	0	40	KDAB	
CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@H]2CCCN2C1=O	150339215	YGXCETJZBDTKRY-AROPGXRTSA-N	866.973	1.270	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225536920	HKSQFASFUJUQQP-QGZVFWFLSA-N	541.623	1.895	0	40	KDAB	
Cc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1S(=O)(=O)N1CCN(C)CC1	225844824	NQJNURFNPQBKLK-UHFFFAOYSA-N	516.671	1.568	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1	249702015	YVPYMQHYESYLIR-PXXUSSOHSA-N	689.799	1.695	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c2ccccc2F)CC1	643551524	NZAVAXRSQDGJHH-QALYSUAOSA-N	611.708	1.430	0	40	KDAB	
C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643567304	YHQODGPTSLADMX-UWJYYQICSA-N	514.554	1.303	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC[C@@H]2COCCO2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643584606	HFHOFQAOOMUKSM-AFESJLNVSA-N	580.682	1.455	0	40	KDAB	
CCc1nnc(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nc1CC	643913411	WBXLGRBQSQZYHY-VYRPMTAESA-N	599.795	1.354	0	40	KDAB	
O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	2090882	HDBMUOUNOGEIDP-QRDGOAKLSA-N	526.416	1.429	0	40	KDAB	biogenic
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706960	UGOUFGFCPZDETB-GKVQRAMASA-N	528.565	1.790	0	40	KDAB	biogenic
COc1ccc(C(N)=O)cc1NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21	71772572	SCRPKTLURIJWDT-HNNXBMFYSA-N	513.576	1.706	0	40	KDAB	
COCCN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	104260269	APIKISNMZVPULE-HFCJMSRESA-N	526.590	1.021	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1	222718743	BNUQJGNFUFDFLT-JOCHJYFZSA-N	530.691	1.783	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C	245380329	WLYZGKRYLZBQQG-GRSYGWAWSA-N	571.675	1.462	0	40	KDAB	
CO[C@H]1C=C2[C@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)[C@H](O)[C@@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@@]3(C)[C@@H]12	253532249	NFGQKKGYMKRYEF-CAEYYTTHSA-N	813.035	1.550	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C=C[C@@]35OC[C@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@]45C)[C@@]2(C)CO)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	1529054582	KYWSCMDFVARMPN-AENZSYMNSA-N	780.993	1.777	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	2037916277	DQHHQSBPNACJDS-PUHATCMVSA-N	529.682	1.547	0	40	KDAB	
C[C@@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O	8789986	SHIPLYKYXGTSKL-YZGWKJHDSA-N	503.596	1.897	0	40	KDAB	biogenic
O=C(NCCCc1ccccc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600206	HFPCWGRPUGLGBM-LJQANCHMSA-N	510.410	1.661	0	40	KDAB	
O=C(CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19832160	UEHXTICWVZQGHI-UHFFFAOYSA-N	522.602	1.913	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O	72186776	LIQODXNTTZAGID-WMUSXQAUSA-N	668.541	1.105	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(O)cc3)n2)o1	100290872	YKLCRQYTCZYFCM-ZEQKJWHPSA-N	567.647	1.535	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1	102100804	BTNQFFCHMJCSHG-NRFANRHFSA-N	572.460	1.651	0	40	KDAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	225877686	OCVSHYCXWHLIHU-OAQYLSRUSA-N	541.648	1.908	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O	245205034	LIQODXNTTZAGID-IVKGROSUSA-N	668.541	1.105	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643573543	QMSGCPMTMLYGDA-FQUABCPJSA-N	593.725	1.713	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]4C2)OC[C@H](O)[C@H]1OC(C)=O	1857788384	GBPDDYORNLOZID-BPOWHDBTSA-N	841.001	1.230	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)Cn4cc(Cl)cn4)[C@H]3SC2)s1	10127194	PCITUFYFGPAUGA-FUEZOXIYSA-N	515.042	1.863	0	40	KDAB	
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C	32666505	ZDJQPOXXOQTGKD-UHFFFAOYSA-N	511.535	1.499	0	40	KDAB	
CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1	103070717	FIPVZIYDLOTNLF-OAHLLOKOSA-N	541.475	1.973	0	40	KDAB	
COC(=O)[C@@H]1O[C@@H](Oc2ccc(I)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	106043679	RSFYKESPVIYVMT-YUAHOQAQSA-N	536.271	1.363	0	40	KDAB	
COC(=O)[C@@H](CCCCNC(=O)COC(=O)COCc1ccccc1)NC(=O)COC(=O)COCc1ccccc1	145578817	IFLWZCRFCHAGOA-XMMPIXPASA-N	572.611	1.451	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)S(C)(=O)=O	260717067	HXQSNUAYTPXNSE-XMMPIXPASA-N	551.109	1.620	0	40	KDAB	
Nc1nc(O)c2ncn([C@@H]3C[C@@H]4O[Sn](c5ccccc5)(c5ccccc5)OC[C@H]4O3)c2n1	263612796	YOHYHZSELJKFII-GXZLDDEJSA-N	538.152	1.074	0	40	KDAB	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)O)CC1	8918243	XWLUXOXVBZWLST-VQTJNVASSA-N	511.666	1.709	0	40	KDAB	biogenic
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	20031336	ZYZDQZHAFXCCHD-OAHLLOKOSA-N	502.014	1.344	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643565989	TTXLYDSJQQZCAY-ZEQRLZLVSA-N	554.644	1.809	0	40	KDAB	
CCOC(=O)C(CCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)(NC(C)=O)C(=O)OCC	9397153	YWGPBNJWISCCIR-UHFFFAOYSA-N	516.588	1.329	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1	20031293	QZRWGQOJXPTDIR-UHFFFAOYSA-N	525.649	1.352	0	40	KDAB	
CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCC2	20546646	RYNCOXCQSCAITC-KUDZAEMMSA-N	522.583	1.604	0	40	KDAB	
COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)c(OC)c1	44845585	AXMJBSXVBYXDSF-UHFFFAOYSA-N	527.621	1.902	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC(C)=O)[C@]2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14	103914052	DTTPWCNKTMQMTE-VKSXYDDUSA-N	507.624	1.350	0	40	KDAB	
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	150344032	FAXGPCHRFPCXOO-HKVDQGNPSA-N	685.904	1.467	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	150380778	NPSWRVXNBAYMIE-UHFFFAOYSA-N	694.814	1.510	0	40	KDAB	
O=C1c2ccccc2C(=O)N1C[C@H](O)COc1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1	827994	BQAAKMXRAKNJDO-ROUUACIJSA-N	516.506	1.758	0	40	KDAB	
CCOC(=O)[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1	4683265	IKELOMNOWOLYKT-ACWSOFASSA-N	510.492	1.391	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](OCc2cccc(Br)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5221444	BAWKASVQYQUJCP-AFDCHOCNSA-N	516.341	1.622	0	40	KDAB	
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)c1ccc(F)c(Cl)c1	8627138	NMHUOPZPDNUKJD-PABCKOPISA-N	509.937	1.576	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)N1[C@H]2OC3O[C@@H]4[C@@H](OC3O[C@@H]2N([C@@H](C)CC)S1(=O)=O)N([C@@H](C)CC)S(=O)(=O)N4[C@@H](C)CC	98003534	SVAAECYOBWQVFI-DHIXJAPQSA-N	554.732	1.955	0	40	KDAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N(CC(=O)OCC)c3ccccc32)C(C(=O)OCC)=C(N)O1	101341827	LJLFTXAZEQLAHT-AREMUKBSSA-N	530.530	1.368	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C)[C@@H]2SC1	102102645	OQNVHIFZVHJAFW-FGJULOEWSA-N	555.329	1.836	0	40	KDAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223399800	LDMVYDQAQVMKFC-FQEVSTJZSA-N	505.593	1.786	0	40	KDAB	
COS(=O)(=O)N[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O	253476157	PUMGWJMQPGYZFC-IDCJVQTKSA-N	519.527	1.764	0	40	KDAB	
CC[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)CNC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)CC	299754585	WQHPLRJZSDNJQU-SAKRGEQPSA-N	661.778	1.702	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565690	HOOPARPRIUYBGM-PTLVVNQVSA-N	515.655	1.159	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCNC1=O	643567862	AIUHIIBVHDRJTC-WIOPSUGQSA-N	616.115	1.568	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643569523	ZOWZUCDXWJDZOW-QFIPXVFZSA-N	526.590	1.078	0	40	KDAB	
CCCCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643575674	YXGDQACGWBWIIT-AWCRTANDSA-N	659.788	1.948	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	1549184551	ZKMRZIYTCZLEAV-CBJOUEEWSA-N	796.992	1.287	0	40	KDAB	
COC(=O)[C@H]1C[C@@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	4273422	NYCOKGSVTGEONF-FLRZUAEDSA-N	578.523	1.450	0	40	KDAB	
COCCN(C(=O)CSc1nc(-c2ccccc2)cn1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23078467	ROIGJRWUOZTFKG-UHFFFAOYSA-N	521.603	1.516	0	40	KDAB	
CCOC(=O)C1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@@H]2CCCO2)CC1	57595140	NOXDGLXDDQEGSR-HTAPYJJXSA-N	510.551	1.787	0	40	KDAB	
COCCN(C(=O)COC(=O)/C=C/c1ccc(Br)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982427	HRCWGUAFYSQYMX-CSKARUKUSA-N	547.362	1.759	0	40	KDAB	
COc1ccc(-n2cnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	103056899	SNFPGEUHFCWFRA-UHFFFAOYSA-N	574.685	1.864	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC1=O	150344952	NZNSTOHSZZLSNP-IWMWHZSGSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	216340601	KNCBVNSZCWUCMA-UHFFFAOYSA-N	525.605	1.656	0	40	KDAB	
CC(C)n1cnc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)ccc21	257216954	CWVOVAVTQYXOJQ-IDISGSTGSA-N	549.632	1.752	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)c4ccc5nc(C(F)(F)F)[nH]c5c4)CC3)OC[C@]2(C)O)n(C)c1=O	257325439	WSYNMSANYYOBIR-XDHUDOTRSA-N	575.548	1.716	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643572324	BCCHQWCNWCDBTK-AAIIXDAISA-N	676.815	1.793	0	40	KDAB	
CC[C@@H](C)[C@@H](NC(=O)[C@@H]([C@H](C)CC)N(C)C(C)=O)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1)[C@H](C)O	669678913	DOGIDQKFVLKMLQ-WLHILOMMSA-N	554.729	1.165	0	40	KDAB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)NC[C@H]1CCCO1	12546953	YNYDXJIMRIBXMN-OAQYLSRUSA-N	505.568	1.789	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1	13138210	OUTZXOAAKCKPTB-UHFFFAOYSA-N	511.622	1.999	0	40	KDAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(=O)[nH]c3ccccc23)CC1	33000557	OVYOYFAXAPTORN-UHFFFAOYSA-N	525.631	1.943	0	40	KDAB	
COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@H](O)[C@H]1O	247847857	NLFUQHCGODFTIB-HRZUEATOSA-N	911.140	1.743	0	40	KDAB	biogenic,in-vitro
COc1c2c(c(CNC(=O)CC[C@@H]3NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c3c1OCO3)CCN(C)C2	526052566	NTLAICDIAJYSNE-IBGZPJMESA-N	538.557	1.658	0	40	KDAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C(=O)O)ccc2C)cc1	575426253	PPRJHTKJWRMUFF-YADHBBJMSA-N	638.698	1.854	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643568208	PINBYKUMZCTCOS-CLTABHPKSA-N	618.687	1.364	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582710	VBMXFNVXBCENFV-GOTSBHOMSA-N	522.602	1.002	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)c2cnccn2)CC3=O)CC1	958317699	FNMKULIBLAUONG-GOTSBHOMSA-N	546.628	1.223	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3C[C@@]4(C)[C@@H](C[C@H](O)[C@H]5[C@H]([C@@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@@]54C)[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	2061001009	JBGYSAVRIDZNKA-UDIRWJSMSA-N	801.024	1.359	0	40	KDAB	
C[C@@H](C(=O)N1CCOCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	4018343	TZYATJMWCMLGDI-BGYRXZFFSA-N	576.606	1.060	0	40	KDAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)N1CCOCC1	4277791	GUCQMMRNBXSADS-ZEQRLZLVSA-N	556.591	1.313	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1	4726364	KKSCPVVDEJRVIO-BXXSPATCSA-N	505.480	1.230	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6547082	NVADBPPWIZNUAV-FQEVSTJZSA-N	541.542	1.326	0	40	KDAB	
COc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	12542364	YHUDCXTZZLPTAC-INIZCTEOSA-N	505.549	1.016	0	40	KDAB	
COc1cc(C(=O)N[C@H](CCSC)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC	13570713	RJNLUZUZPNRDJZ-GOSISDBHSA-N	517.652	1.951	0	40	KDAB	biogenic
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	247647541	KYWSCMDFVARMPN-YTTQKGONSA-N	780.993	1.777	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C(C)C)C[C@H]3C(=O)NC[C@H]1O2	253395746	CKNVUQKGMKSKBA-AYEXWZOKSA-N	515.655	1.744	0	40	KDAB	
Nc1ncnc2c1ncn2[C@@H]1C[C@@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@H]2O1	263613797	ZRKMLPQXPCPPBB-XEFJYEMLSA-N	522.153	1.368	0	40	KDAB	
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)N[C@H](C)c1ccccc1	14359156	MVDCZAREVYRJSJ-DVECYGJZSA-N	531.631	1.883	0	40	KDAB	
CCCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccc(OC)cc34)CC2)nc2c1c(=O)[nH]c(=O)n2C	36003815	OSTFPXZOJPDMLP-UHFFFAOYSA-N	507.595	1.647	0	40	KDAB	
CCCCn1c(N)c(N(CC)C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)c(=O)[nH]c1=O	38139531	KUDBUKHZASJRIE-UHFFFAOYSA-N	541.074	1.565	0	40	KDAB	
COc1ccc(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)c(OC)c1	62728273	TUAVHNUFHVXMMY-UHFFFAOYSA-N	523.502	1.872	0	40	KDAB	
COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(C)cc2)cc(OC)c1OC	100934243	BYVYMBSGWAVVPP-HSZRJFAPSA-N	534.447	2.000	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1F	224319064	IGNZNIZCUWMJHI-UHFFFAOYSA-N	528.628	1.418	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	224443249	HWRBEPOBOHLSII-UHFFFAOYSA-N	562.066	1.331	0	40	KDAB	
Cc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)NCCOc3ccccc3C(=O)N2)c1	643562131	GGZWNMJOMIQVQD-PKTZIBPZSA-N	508.619	1.882	0	40	KDAB	
COc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643579295	WXNQEWGAACIELI-ZEQRLZLVSA-N	554.644	1.761	0	40	KDAB	
CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl	3355397	AXECFAYKEOQFEV-LLVKDONJSA-N	501.410	1.388	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6089342	KDXCHWAZSOIMRC-HXUWFJFHSA-N	526.575	1.291	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)NC[C@H]1CCCO1	9409638	YQJQKGUIGPXWHF-UVNWJPITSA-N	527.618	1.911	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2c(F)cc(F)cc2Br)NC(=O)N[C@@H]1C	72138528	OFYGYDXLNATHBO-MRVPVSSYSA-N	526.312	1.067	0	40	KDAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)nc(OC)n1	108278614	VWTQFETVVSBKRD-UHFFFAOYSA-N	563.614	1.568	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1	224421979	KTBHHSKGJRZZIV-UHFFFAOYSA-N	509.650	1.818	0	40	KDAB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CO)CC[C@]3(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C	253389344	IDUNGWJLADYQNW-ZNPATOJXSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@@]12C	257468853	KWRQPASKWCJCPI-OPAFYXLASA-N	770.998	1.759	0	40	KDAB	endogenous,in-man
C[C@@H](Oc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C(=O)N1CCOCC1	408605644	NEQRENASWIKULL-LJQANCHMSA-N	517.604	1.548	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643567535	KKQQIHITBHFCAO-ZEQRLZLVSA-N	625.723	1.371	0	40	KDAB	
CC(C)(C)CCN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889032	DZFLWLKVWPJPQI-PKTZIBPZSA-N	564.749	1.817	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@@H](N)Cc1ccccc1)C(=O)O	2037879931	XYPRKHVNWJXGPV-LEDOBFOHSA-N	533.025	1.878	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)ccc1F	9577899	TUHWSWZCEGTAQA-JOCHJYFZSA-N	502.568	1.828	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	97985347	WAEKSZJQJUDRCQ-ABZQKAAASA-N	565.553	1.736	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O	257455374	JLLVQPKAQVOYFS-OVONXKRUSA-N	758.921	1.124	0	40	KDAB	biogenic,in-vitro
CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	36296060	BUMOAENNCQGXKE-UHFFFAOYSA-N	505.626	1.928	0	40	KDAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(OC)c1	38145092	UZDYYQJIAJINFO-XMMPIXPASA-N	546.646	1.679	0	40	KDAB	
O=C(NC12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2)NC12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2	101474045	UYGAOXYUDPSWIF-PSWUBVACSA-N	566.246	1.047	0	40	KDAB	
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103012238	XMDKDQKLFZQIDU-UHFFFAOYSA-N	542.614	1.559	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]3O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	253529674	LHVARDGCCWIXJA-SXQDUSIESA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643564539	RHJSXEYOXOMQGV-NZQKXSOJSA-N	503.644	1.015	0	40	KDAB	
CC(=O)N1C(=O)/C(=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)c2ccccc21	97968923	GPQLSSDHTQCEQY-QKHXSWLYSA-N	564.627	1.882	0	40	KDAB	
Nc1ccc(C(=O)OCC(=O)OCC(COC(=O)COC(=O)c2ccc(N)cc2)(COC(=O)COC(=O)c2ccc(N)cc2)COC(=O)COC(=O)c2ccc(N)cc2)cc1	197986090	UTMDDFXWKWXKGV-UHFFFAOYSA-N	844.783	1.902	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	224210550	KPZZPWVUMIHLGQ-UHFFFAOYSA-N	534.454	1.661	0	40	KDAB	
CCc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224294321	RDLJRFFADOWMAG-UHFFFAOYSA-N	509.650	1.995	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@@H]13)CC[C@@H]2O	253396433	DTRPXGAGZVLEJH-WVAUJHLCSA-N	505.615	1.788	0	40	KDAB	
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408686756	SSSLRYGEJLZKRM-DXTKOSGQSA-N	525.646	1.883	0	40	KDAB	
CO[C@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(CO)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]3(C)[C@@H]12	584908947	GLQYFMRUYWFXGT-MKTVBSHQSA-N	813.035	1.385	0	40	KDAB	biogenic,in-vitro
COc1cccc(NC(=O)N2CCC3(CCOc4cc(-c5ncnn5C)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)c1	1548889464	HADWQHKPBXWXQX-GGAORHGYSA-N	625.708	1.580	0	40	KDAB	
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C](OC(=O)c4ccccc4)[C@@H]12)C3(C)C	1560411672	NOVUMBJJYVIVIT-WILTZHQSSA-N	543.589	1.245	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6089325	ZHLKCDPKXSSIFY-OAQYLSRUSA-N	556.601	1.299	0	40	KDAB	
Nc1nc(O)c2nc(CCNc3c(Cl)cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3Cl)cnc2n1	8637300	LUACTCWCHAJXRX-GFCCVEGCSA-N	524.321	1.717	0	40	KDAB	
O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600202	ZVSKTMKZXHLNBG-QGZVFWFLSA-N	500.346	1.368	0	40	KDAB	
CCCN(CCC)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)CN(CCC)CCC)C(=O)C2(C)C)C(C)(C)C1=O	17434013	CAYUBHBMCOYMMJ-GOTSBHOMSA-N	582.787	1.995	0	40	KDAB	
COC(=O)c1ccc2c(=O)n(CC(=O)NCCCN3CCN(c4ccccc4F)CC3)c(S)nc2c1	32959222	FKWVHYMTOQNVOS-UHFFFAOYSA-N	513.595	1.939	0	40	KDAB	
CCn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(N)n(Cc2ccccc2)c1=O	38146218	GRMVBQHMQJJCSH-UHFFFAOYSA-N	539.658	1.466	0	40	KDAB	
CCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c(=O)[nH]c1=O	38152756	BXVSLYHIXCNUJT-UHFFFAOYSA-N	541.630	1.964	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C	97980384	KEEBXPCGNVYCGY-UXBLZVDNSA-N	533.672	1.871	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(S)n(-c3cccc(S(=O)(=O)N(C)C)c3)c3cc(C(=O)NCCO)cc[n+]23)c1	150386713	CIJNGUUCLSFWAJ-UHFFFAOYSA-O	675.835	1.760	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	223322860	NNLDVDGLFPLBBF-UHFFFAOYSA-N	519.627	1.353	0	40	KDAB	
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCC[C@@H](O)[C@H](C)N	253612036	TYKXJOPGAYUOGL-DQOSTDDUSA-N	507.709	1.722	0	40	KDAB	biogenic,in-vitro
Cc1cn([C@H]2COC3(CCN(C(=O)c4ccc(OCCN5CCCC5=O)cc4)CC3)C[C@]2(C)O)c(O)nc1=O	257290180	QBXIIYGHDVVCGZ-CUNXSJBXSA-N	540.617	1.646	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)cc1	257290586	QDMXRYGUWSTCDR-VURPSTOHSA-N	518.567	1.098	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	575372282	PEDLHTCZTNWMIO-AJBIBJIPSA-N	945.877	1.615	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565773	NDJAJUUDBYQBQR-GOTSBHOMSA-N	529.682	1.549	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643566277	BWNHFKOCTONTRX-STXQHDJLSA-N	575.710	1.888	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@@H]2C	2061001095	HICKWUOOLVNEHW-GCKCVUTFSA-N	738.912	1.362	0	40	KDAB	
CC(=O)Oc1cc(C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc(OC(C)=O)c1OC(C)=O	13063192	APJTZFYFVORUEN-UHFFFAOYSA-N	512.515	1.964	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O	94303131	UXDNUPFGRUGPKK-XBWOTNPQSA-N	748.952	1.085	0	40	KDAB	in-vitro
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	224472406	KGHZMGKTEYLSFO-UHFFFAOYSA-N	569.677	1.584	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@@H]2[C@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H](O)CC4=CC[C@@H]5[C@H]6C[C@H]7O[C@]8(CC[C@@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]5[C@]43C)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	253612218	CJEFMQWHKUPVBZ-JBZCFWQMSA-N	897.065	1.422	0	40	KDAB	biogenic,in-vitro
CCOc1cc(CNC[C@@]2(O)CCCN(c3cc(NC)ncn3)C2)ccc1OCCN1CCOCC1	585273658	QZZHEOKSYYEUFQ-SANMLTNESA-N	500.644	1.749	0	40	KDAB	
O=C(CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCCN12)N1CCOCC1	14944818	FNNKSNDAVJMNBK-DBBYKEMSSA-N	514.582	1.761	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)c1ccc2c(c1)OCO2	44849744	CVNARBBPLYGQFX-UHFFFAOYSA-N	513.594	1.905	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	100248089	QACCEXUDTIMBQQ-RXABAKJHSA-N	562.395	1.214	0	40	KDAB	
O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1	101008327	UXGXCLHERGORPL-UHFFFAOYSA-N	540.577	1.231	0	40	KDAB	
Cc1ccccc1-n1c(O)c([C@@H](c2ccncc2)c2c(O)[nH]c(=O)n(-c3ccccc3C)c2=O)c(=O)[nH]c1=O	101032121	ATAAMOOCJYPDKN-FQEVSTJZSA-N	525.521	1.968	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643565803	OAKHREBCRYDXNB-LBNVMWSVSA-N	579.698	1.315	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643569266	QYZVETLNLZGSCQ-GOTSBHOMSA-N	506.603	1.670	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccccn3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913319	QTKIOTDFBVFIQG-UCXAEWMPSA-N	622.789	1.235	0	40	KDAB	
CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](=O)(O)OP(O)O	2060999709	KRBSTWWJAGBFIG-OAHLLOKOSA-N	520.478	1.181	0	40	KDAB	
O=C(COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2	3359105	DCRBNNPZIMCNIP-HNNXBMFYSA-N	515.338	1.041	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(N)=O	6821390	POXCHDLYCJFKBU-YIUXCHFHSA-N	577.679	1.039	0	40	KDAB	
Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12	8684079	DZFQIBMUGDOKAJ-JOCHJYFZSA-N	502.568	1.828	0	40	KDAB	aggregator
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1OC	15967555	YFTHXKRDOWJZIO-WYMULPSZSA-N	526.977	1.504	0	40	KDAB	biogenic
COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1	20031618	IOBZHBBHFBHDLA-OAQYLSRUSA-N	517.629	1.857	0	40	KDAB	
CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1C	32972043	IEIGIRIIOAHORT-UHFFFAOYSA-N	518.615	1.658	0	40	KDAB	
O=C1NC[C@]2(CCCN(C(=O)CN3CCC[C@@]4(CNC(=O)c5ccccc5O4)C3)C2)Oc2ccccc21	72341232	DKANJWMSQZTVQP-IZLXSDGUSA-N	504.587	1.827	0	40	KDAB	
O=C(O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253396686	DYVRDOAIGIZSNH-ALJFMCDRSA-N	523.586	1.519	0	40	KDAB	
CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc21	260886145	FUNXDHOOCUEPSQ-JOCHJYFZSA-N	523.633	1.583	0	40	KDAB	
O=S1(=O)CC[C@H](NN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425386	YQTMFZOYXQAMSW-NWDGAFQWSA-N	566.315	1.081	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CCC(=O)N2CCC[C@@H]2C(=O)N1	643571146	ZSUZVWBDEAWGSA-YTFSRNRJSA-N	527.666	1.254	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(CC(=O)N=c1ccn(C)[nH]1)CC2	2037879626	HXBLFRMNYLKBLH-BHIFYINESA-N	514.671	1.265	0	40	KDAB	
CCOC(=O)[C@@H]1C(c2ccccc2)[C@H](C(=O)OCC)S(=O)(=O)C(CCN(CC)CC)S1(=O)=O	5984042	SMRFNRKONBWLTL-KHSMEXAKSA-N	503.639	1.535	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	13141797	BJYTYMSJKWBAPM-UHFFFAOYSA-N	509.606	1.907	0	40	KDAB	
O=C(CCNC(=O)c1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	17466346	VBJMVIOOKNFRPX-UHFFFAOYSA-N	537.038	1.956	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(=O)[nH]c1=O	23077570	QRCAGMZRYKNQJQ-UHFFFAOYSA-N	535.667	1.616	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1	38152355	PIDHDAPJKGOJJM-AREMUKBSSA-N	543.646	1.959	0	40	KDAB	
C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	67911592	CMHWMOGWFZWDMR-KDOLFDLHSA-N	536.662	1.429	0	40	KDAB	biogenic,in-vitro
COCCN(C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72138636	XBCUYXIKDZKPSC-UHFFFAOYSA-N	546.584	1.806	0	40	KDAB	
CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O	95544283	ULGZDMOVFRHVEP-QIAPBFNQSA-N	733.937	1.786	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1	95786014	RZQHWSDMLZHIRN-FOSGHQEGSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCOCC1	140139313	RQPPFNROXAJBQR-MRXNPFEDSA-N	529.662	1.817	0	40	KDAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl	224224794	SKMWHCRYBGBCFQ-HNNXBMFYSA-N	534.056	1.949	0	40	KDAB	
O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1ccc(OC(=O)C[C@@H]2SC(=O)NC2=O)cc1	245225850	UHDMFVBATFETCL-VBUFIWHOSA-N	615.667	1.641	0	40	KDAB	
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@H](C)CC	252515140	HOFGZJTZROMXRO-BBATZVQHSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCCN2CCOCC2)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643569864	FERQAIZWVOUCQA-AHWVRZQESA-N	591.709	1.125	0	40	KDAB	
COCCOCC(=O)OCCOCC(=O)Oc1cc(OC(=O)COCCOC(=O)COCCOC)c2c(=O)c(-c3ccc(OC)cc3)coc2c1	2060999956	DGBNLOHKWQCQTQ-UHFFFAOYSA-N	720.677	1.725	0	40	KDAB	
CCc1ccc(OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc2ccc(CC)cc2)cc1	12974292	SZAXJQFMMMPQMV-UHFFFAOYSA-N	500.548	1.588	0	40	KDAB	
O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1	13496973	FQHIOAAQTYTCBQ-FQEVSTJZSA-N	523.633	1.516	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1	20032869	MHYPRFFBEKSHMT-UHFFFAOYSA-N	502.014	1.857	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2ccccc2F)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140299	YACKKKKMPOWRFF-UHFFFAOYSA-N	540.581	1.050	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1ccc(Oc2ccccc2)cc1	54313928	VRJVUHUOWCEAGQ-DEOSSOPVSA-N	529.601	1.747	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccc(Cl)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712184	ZUHNIJKKUNIBLE-KNQBKSORSA-N	585.035	1.796	0	40	KDAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Br)cn4)[C@H]3SC2)s1	102659449	KFVBXQPEIFIBTM-JFXJWUOYSA-N	545.466	1.897	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O	103142067	AQWLJCFMUVHTRO-RUZDIDTESA-N	528.587	1.438	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1	222934242	SKOPBYSUNATTKB-PXDATVDWSA-N	575.684	1.807	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1	260740138	LNNYTIBMOIJUNL-KRWDZBQOSA-N	513.613	1.638	0	40	KDAB	
CN1CCN(C2=Nc3cc(Cl)ccc3N([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c3ccccc32)CC1	504799688	YWWIDMPXCSUNRD-UNRHHUQTSA-N	502.955	1.009	0	40	KDAB	in-vitro
C[C@]1(N(CCNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)S(=O)(=O)c2cc(C(=O)O)ccc2Cl)CCS(=O)(=O)C1	575426756	ZIOMCVHOJIFQSV-NRFANRHFSA-N	629.518	1.936	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643565563	JJWIGRWXAAFQSO-RBJSKKJNSA-N	577.682	1.606	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2ccc(C)c(Cl)c2)CCCCOC[C@H](O)[C@@H]1O	643585172	RQFLKYHWKFDOJO-FIXSFTCYSA-N	500.036	1.675	0	40	KDAB	
C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O[C@H]5O[C@@H](CO[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@@]3(C)[C@@H](O)C[C@@]12C	1529054874	SLAWMGMTBGDBFT-FPWYDQOTSA-N	801.024	1.120	0	40	KDAB	
O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	12651648	CXIBFANOJADLNG-HBFSDRIKSA-N	505.593	1.238	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1	85508937	PHDZNMWTZQPAEW-IOZYTHHVSA-N	629.747	1.677	0	40	KDAB	biogenic,in-vitro
COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2cccc3ccccc23)c(N)n(Cc2ccccc2)c1=O	103061966	FZTDBKHKNCPSKX-UHFFFAOYSA-N	531.521	1.772	0	40	KDAB	
COc1ccc(OC)c(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4cc(OC)ccc4OC)c(=O)[nH]c3=O)c(=O)[nH]c2=O)c1	103770555	XHKGHZSDMQXFGO-UHFFFAOYSA-N	617.571	1.386	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	150674300	QOACISSHGAAMLK-JEOIPBDFSA-N	683.667	1.141	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc(O)c3c(=O)c2O)cc1	167330638	IYCPMVXIUPYNHI-UCLHCESSSA-N	530.526	1.567	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224456319	QIUUTWDQDMAGKU-KRWDZBQOSA-N	546.067	1.711	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C1=O	252678328	DWMRYOPFBMMZEG-KPRIGVESSA-N	605.736	1.529	0	40	KDAB	biogenic,in-vitro
Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nnc1-c1cccnc1	3404989	FSZJIBUCYMHZGJ-UHFFFAOYSA-N	509.617	1.832	0	40	KDAB	
CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	6074337	SHRUHAPNBPSCFN-DIPNUNPCSA-N	531.587	1.822	0	40	KDAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	17577298	VGKXRNPVETVXON-SFHVURJKSA-N	580.667	1.856	0	40	KDAB	
O=C(Nc1snnc1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1CCN(c2ccccn2)CC1	33436093	CRCGSHDHSHUDAF-SJORKVTESA-N	506.592	1.708	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1	103087213	OUDTYPYHTZOXGN-HXUWFJFHSA-N	543.623	1.839	0	40	KDAB	
CC(=O)O[C@@H]1[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@H]2O)[C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@H](OC(=O)/C=C/c4ccccc4)[C@H](C)CO2)[C@@]32CO2)O[C@H](C)[C@@H]1O	254047131	VOTNXJVGRXZYOA-NSHBYERSSA-N	804.839	1.313	0	40	KDAB	
CC(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)[C@H](OC(C)=O)[C@H]1O	299817549	HVPKALQHGQMJER-KBCZKRCDSA-N	869.055	1.866	0	40	KDAB	biogenic,in-vitro
CC(=O)NCCCC[C@H](N)C(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c2ccccc2F)CC1	643586388	ILZCCABKXDVNGX-AMSOURPBSA-N	610.768	1.694	0	40	KDAB	
C#CCO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C1	4221758	NYIXRRBONMMIOU-UIFIKXQLSA-N	514.629	1.614	0	40	KDAB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1	224259412	LHTGEOBYDVEUMQ-UHFFFAOYSA-N	519.592	1.957	0	40	KDAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(C)=O	224498045	LBAFSZIAIVLLHT-UHFFFAOYSA-N	529.662	1.745	0	40	KDAB	
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226053305	CILDXLPPSFUSEP-UHFFFAOYSA-N	509.650	1.768	0	40	KDAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	247753461	BYMLPPUTYPTYIM-UWAFMZNUSA-N	672.915	1.500	0	40	KDAB	
COc1ccccc1OCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCCCCCC(=O)N2)CC1	643585040	NSTKCZIYHTUJQY-SVBPBHIXSA-N	658.841	1.874	0	40	KDAB	
CSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O	3839150	NELSBIYXDMGJSC-ZVDOUQERSA-N	519.574	1.632	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6547094	VDRUZGIANXQKRS-FQEVSTJZSA-N	527.559	1.606	0	40	KDAB	
COCCN(C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12996761	HENAPOCOVKPBTG-UHFFFAOYSA-N	511.535	1.151	0	40	KDAB	
COc1ccc(C2=NO[C@H](CO[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1	100230689	IXGOAUDJFVQZQQ-PTEPMYCGSA-N	537.518	1.288	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277442	DURWVYJGVQVMMN-ZYLNGJIFSA-N	554.604	1.994	0	40	KDAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2	100293995	NTKOZFWNJCSNBZ-LHEWISCISA-N	543.598	1.966	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CC(=O)N(Cc2ccccc2)CC1=O	643574878	XSAKPVOFSAZHTP-BHYZAODMSA-N	691.789	1.931	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)[C@@H]3SC2)s1	1567518	VTLCNEGVSVJLDN-LRDDRELGSA-N	548.455	1.846	0	40	KDAB	biogenic
COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC	9411456	RCQACDBIWCFMSE-UHFFFAOYSA-N	511.560	1.755	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	11679401	FAXGPCHRFPCXOO-FWHQXBDISA-N	685.904	1.467	0	40	KDAB	biogenic
CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)sc(C(N)=O)c1C	16044965	HDRUSHVUNCUEQM-UHFFFAOYSA-N	507.521	1.261	0	40	KDAB	
NC(=O)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	17546240	JXWCHHWCVFRXBV-UHFFFAOYSA-N	530.603	1.592	0	40	KDAB	
CC(C)CN(C(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	38145503	HZQVZQMWAFAFBT-UHFFFAOYSA-N	570.716	1.924	0	40	KDAB	
Cc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc2oc(=O)ccc12	150613889	RBKHOTLLIQRMRT-ISJGIBHGSA-N	665.748	1.401	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1N1CCCC1=O	224471183	PQCNVPQAIHYLJZ-UHFFFAOYSA-N	539.632	1.200	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC	245377517	MACRWUZSSFLAMW-QJAPXLAMSA-N	585.702	1.852	0	40	KDAB	
C[C@@H]1C(=O)O[C@@H]2[C@@H]1O[C@@]13O[C@@]4(CC[C@]5(C)C(=O)[C@H](C)[C@@H]2[C@@H]51)C[C@]12OC(=O)C[C@@H]1OC(C)(C)[C@@H]2C[C@@H](O)[C@@H]4C3=O	247933224	CWFGQJNQESAHDH-XHEMKWNFSA-N	544.597	1.483	0	40	KDAB	biogenic
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253396798	FBEBSRKWGARJQZ-CFJXPYFLSA-N	554.688	1.723	0	40	KDAB	
CC(=O)N1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253399064	ICXDDDOTUYDFSA-RKDXIHMYSA-N	625.767	1.182	0	40	KDAB	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	2054340347	FNIRVWPHRMMRQI-KBNCHRKJSA-N	770.998	1.759	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000402	DVUHIYFVLVFKRW-MJXPFFDSSA-N	801.024	1.120	0	40	KDAB	
C[C@H](OC(=O)OCCOCCOC(=O)O[C@H](C)C(=O)OC[C@H]1CCCO1)C(=O)OC[C@@H]1CCCO1	4804973	IIMHTAVCLBQOLI-USTZCAOPSA-N	506.501	1.531	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3ccc(C)cc3)NC(C)=O)CC2)cc1	13565605	LVOMFVWCLUFZQV-DEOSSOPVSA-N	500.621	1.970	0	40	KDAB	
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	16043706	GWNNBWBORXTTBN-HMAPJEAMSA-N	503.602	1.653	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	97971718	WCMJLEULXWUCRF-XUJGWIJLSA-N	796.992	1.854	0	40	KDAB	biogenic,in-vitro
CCc1ccc(N2C[C@H](C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2=O)cc1	103038476	OTMMKKPHAITIMZ-HXUWFJFHSA-N	540.665	1.838	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(I)cc2)c(N)n(Cc2ccccc2)c1=O	103074324	HAEBRKUPYNYUKD-UHFFFAOYSA-N	577.331	1.458	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585274743	YZUKHMUYJNCCPU-LJAQVGFWSA-N	554.644	1.416	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643566430	YHYWGQYLFDIIEC-BVSLBCMMSA-N	515.655	1.157	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC)CC(=O)N[C@@H](CC(C)C)C1=O	643913211	LEGHSSPARBCBBY-SFTDATJTSA-N	504.628	1.490	0	40	KDAB	
CCCn1c(N)c(N(CCOC)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O	12937388	XNRFICNXLVRTBH-UHFFFAOYSA-N	529.619	1.956	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@@H]1C	32744874	MSFNCVFBLXWHBB-GFCCVEGCSA-N	501.945	1.036	0	40	KDAB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(OC(C)=O)C[C@H](OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)C1	70665362	HQJMMMNUCZFHGX-DOSBHYPPSA-N	560.556	1.259	0	40	KDAB	biogenic
COc1ccc([C@@H]2N[C@H]2C(=O)c2ccccc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1	102324030	IOUUNJFANNRICA-SWKFEAPBSA-N	598.605	1.626	0	40	KDAB	
CC(C)(C)OC(=O)NCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2cc(F)c(O)nc2=O)[C@@H](O)[C@@H]1O	257292108	QKBGQSRGIFRYES-RCVZYCBYSA-N	520.558	1.314	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643550942	LFDHCVXELMLJMZ-COFNMNJVSA-N	538.601	1.025	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572817	JFVNLVOSMJBZGL-PSSCRBPISA-N	611.715	1.951	0	40	KDAB	
CN(C)CCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCCCN(C)C)cc2)cc1	4783075	MKUXOUZXWOGEOE-UHFFFAOYSA-N	532.711	1.479	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6547007	QLKVDOKKJAARGN-FQEVSTJZSA-N	543.533	1.759	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22867519	MIOONGGUEMOGJO-RUZDIDTESA-N	547.572	1.526	0	40	KDAB	
COCCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140450	IEPIYVJBHSMUOI-UHFFFAOYSA-N	530.965	1.731	0	40	KDAB	
COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	38143541	FYWCDZKQBWSMDD-KYDXMLATSA-N	506.548	1.045	0	40	KDAB	biogenic,in-vitro
O=S1(=O)NC[C@H](O)CN(Cc2cncnc2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253403201	PNGJFDBTGDQISA-BUQBWPEYSA-N	558.632	1.319	0	40	KDAB	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3ccccc3C(=O)N2)CC[C@H]1NS(C)(=O)=O	514287591	OPWDWAQFUPGLOK-QTKAYYCXSA-N	566.677	1.159	0	40	KDAB	
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643586524	MDNSQFWFSXQRCB-ALLMYJPZSA-N	556.635	1.041	0	40	KDAB	
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O	1529084352	TZCYVPLNMOJUIL-JIJNFTDHSA-N	746.995	1.100	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@H]2SC1	8715731	VGUUDSNUJASRMW-RBNDEXQUSA-N	510.878	1.726	0	40	KDAB	
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCO)cc1OC	8766741	PAXMQHJYBSQMDV-ZHZULCJRSA-N	530.603	1.583	0	40	KDAB	
C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)CS2	16044759	CFAZKIQGIOILHV-GBXCKJPGSA-N	517.629	1.670	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	20611407	VTGHXFNCEBBMSE-VDQVMUTISA-N	510.934	1.626	0	40	KDAB	biogenic
CC/C=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1csc(CC(=O)OC(C)(C)C)n1	214696042	ZDMFCKWBKQNBMG-PVKXOALXSA-N	552.631	1.655	0	40	KDAB	
CCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](OC[C@@H](O)CCCCCCCCCCC[C@H](O)CC(=O)O)[C@H](O)[C@H]2O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]1O	604377652	YUIAZLFHCZYXSQ-RANDQHNCSA-N	854.981	1.139	0	40	KDAB	biogenic,in-vitro
Cn1cc(CN2CCC3(CCOc4cc(C5CCOCC5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cn1	1548889070	GBBDREUUFUMICX-RPWUZVMVSA-N	573.716	1.372	0	40	KDAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)N1CCOCC1	4277902	JKTKALJOIHULRB-FCHUYYIVSA-N	517.602	1.345	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC	20611914	FDSIATCTSUDLES-DVVWYOFYSA-N	506.559	1.241	0	40	KDAB	biogenic
Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	22933531	KYJIQIWIKYIMCN-JOCHJYFZSA-N	507.591	1.197	0	40	KDAB	
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	150340458	APQSZEFHNKLYHK-ZZTDLJEGSA-N	659.762	1.231	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O	150372079	OXPQHPVFIVMOOJ-SDHOMARFSA-N	673.789	1.110	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	245190510	MQTOSJVFKKJCRP-FEYQRUPRSA-N	748.996	1.901	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C5CCOCC5)CCN4C3=O)O2)cn1	253403203	PNHUKWMPHSYSJF-WVAUJHLCSA-N	553.660	1.200	0	40	KDAB	
CCOC(=O)N1CCC(O)(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1	585284628	YWTCFERWZQBNCT-AREMUKBSSA-N	507.628	1.187	0	40	KDAB	
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	4534360	YWSYLEUAJLDOJG-BDFXLYPGSA-N	730.820	1.193	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6546220	ISSQYYMUBOZMOM-DHLKQENFSA-N	554.579	1.916	0	40	KDAB	
C[C@@H]1CN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)C[C@@H](C)O1	10460798	SEUFFIVUDMOZJM-IAGOWNOFSA-N	512.588	1.788	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(O)cc2)CC1	13555037	HCYXLTSRTYEUSK-DEOSSOPVSA-N	521.578	1.795	0	40	KDAB	
CC1(C)[C@H](CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)NC2=O	16577280	QTJLKUZRKQGTQP-BBATYDOGSA-N	504.503	1.812	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)SC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O	85548454	OJIFMDRLHMGYGK-QORCZRPOSA-N	655.859	1.529	0	40	KDAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CCN3CCN(c4ccccn4)CC3)CC2)CN1	643566469	RFMOJDRCSPDFOK-LOSJGSFVSA-N	551.688	1.066	0	40	KDAB	
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1	2641007	MYEUFWONRIYTER-CQSZACIVSA-N	500.982	1.625	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c2ccccc12	8635216	XNZUKUJONMYGIN-MRXNPFEDSA-N	504.507	1.422	0	40	KDAB	
CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(OC)c3)CC2)cc1	19818688	HVYHHMYDTRDULO-XMMPIXPASA-N	509.607	1.572	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(F)cc2)CC1	19973389	QSVOVIGTMZDYRD-HSZRJFAPSA-N	507.526	1.940	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	20038015	NFSBUVHIKFQMKS-UHFFFAOYSA-N	502.590	1.773	0	40	KDAB	
C/C=C(\C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)[C@@H]3C[C@@]4(O)C5=C(C6=C(C)C(=O)O[C@]6(O)[C@H](O)[C@@]5(C)[C@@H]5C[C@@H]54)[C@@]34OC(=O)C(COC(C)=O)=C4C[C@@H]12	49769671	FYTGVSJFROTUKO-FFTXOPGASA-N	678.731	1.698	0	40	KDAB	biogenic
CCC[C@H]1C[C@@H](C(=O)N[C@@]2([C@@H](C)OC(C)=O)O[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)N(C)C1	100639954	DARVXQDVSMWTSV-RDGTVTEVSA-N	560.666	1.385	0	40	KDAB	
COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccc(OC)c(OC)c2)cc1	100933392	FMTBZLXEDWDMRL-XMMPIXPASA-N	548.474	1.945	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)S(C)(=O)=O	260725453	WMXPOKQJJUTKKM-DEOSSOPVSA-N	537.082	1.750	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	299817488	FNIRVWPHRMMRQI-AWSFFAJBSA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
O=S1(=O)C[C@@H]2[C@@H](C1)N(S(=O)(=O)c1ccc(Br)cc1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc(Br)cc1	575421491	JMKKUVQINGMCLO-WTGUMLROSA-N	704.462	1.238	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643569560	JLCUVXJWKWQZSM-IZZBFERCSA-N	500.596	1.043	0	40	KDAB	
O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	12080803	IYMMXQLFAIHWLH-QGZVFWFLSA-N	516.801	1.882	0	40	KDAB	
CN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	15940505	FRQMCEQCCXIZFU-UHFFFAOYSA-N	515.526	1.256	0	40	KDAB	
COCCN(C(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32691277	KZHRLXYXZAEAOX-UHFFFAOYSA-N	522.653	1.602	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccc(OC(F)(F)F)cc2)C[C@]2(COc3ccccc31)C[C@H](O)[C@H](O)C2	108318177	JPQFXFFFOBZBPY-YPIYEQTHSA-N	546.564	1.621	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118928601	LWEDMLOAXCZSBB-HWRGMAHBSA-N	606.665	1.916	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1	224442417	PFLLERGZHLTKIP-UHFFFAOYSA-N	565.592	1.688	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5CCC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253402251	OBXLKJVYHYTZDJ-GEMTWJNPSA-N	538.649	1.791	0	40	KDAB	
Cc1nc(/C=C/C(=O)N2CCCOc3ccccc3CCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C2)cs1	1615153568	FNJCDBDBCGHXTP-QVRGDWLXSA-N	520.648	1.559	0	40	KDAB	
CC1(C)O[C@@H]2[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@@H]2O1	1857794906	TZVKEALIENMCGH-QTQZEZTPSA-N	509.523	1.812	0	40	KDAB	
COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC	2634205	DSMLIRJUDGMPSU-UHFFFAOYSA-N	502.505	1.037	0	40	KDAB	
C[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	4018347	OUWDVGFXGJMUAS-SZPZYZBQSA-N	620.659	1.076	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1	6281141	PVRCOQSIWDVIPY-RDGATRHJSA-N	552.636	1.224	0	40	KDAB	
CN(C)c1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)[C@H](C(=O)N[C@@H](CC3CCCCC3)C(N)=O)C2)cc1	8627206	CXDGNUOIYDUMCX-ZEQRLZLVSA-N	542.681	1.272	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)OCCN3CCCCC3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70665546	BDUNELQYTLRTRJ-CBNWRBMVSA-N	579.599	1.791	0	40	KDAB	biogenic
CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1	224211027	HHNVNXNVLLDTJG-KRWDZBQOSA-N	513.638	1.685	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1	224250308	MWAXFUFVLOLABZ-UHFFFAOYSA-N	505.618	1.906	0	40	KDAB	
COc1cc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)ccc1O	524731684	HKMBWZLSCHJXRT-AYBZRNKSSA-N	507.543	1.848	0	40	KDAB	biogenic
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OCC)[C@@H]1c1cccc(OC)c1	2217779	ZMXAXDSKCVWNMS-OKPNHQCWSA-N	536.606	1.957	0	40	KDAB	
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	12620994	AVVYGKQOJIBMGR-JOCHJYFZSA-N	506.968	1.767	0	40	KDAB	
Cc1ccccc1-n1c(O)c(C(c2ccccn2)c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c(=O)[nH]c1=O	103770518	IYYKHHNIIDDBQU-UHFFFAOYSA-N	525.521	1.968	0	40	KDAB	
CN1CCCN(C(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569593	KYRIFHPSPTWUFF-RSXGOPAZSA-N	563.699	1.650	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1	9019682	WQQAXTIMFPSTHD-SSUIOBEFSA-N	522.579	1.567	0	40	KDAB	
CCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1	17466383	VTOCMODRXLGAQR-ZDUSSCGKSA-N	543.447	1.207	0	40	KDAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940678	PUPRGENMJBERRN-WMZHIEFXSA-N	519.562	1.843	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br	224443584	WYJKKPJQZHNYRM-UHFFFAOYSA-N	576.491	1.431	0	40	KDAB	
O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCCOCCOCC1	616581089	OEKXMILWQRJXFN-UHFFFAOYSA-N	506.596	1.768	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](O)CO)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@]3(C)CC[C@@H](O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](CO)O[C@@H](O[C@H](CO)[C@H](C)O)[C@@H](O)CO)C(C)(C)C3=CC[C@@]12C	2061000070	CVYYTHLRDPCZHD-WECDHLHTSA-N	993.279	1.806	0	40	KDAB	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@@H]1C[C@H]2O	4534335	OVMSOCFBDVBLFW-FBOAPAKVSA-N	586.634	1.653	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	12080667	SXEKETCPKOEHAN-QFIPXVFZSA-N	516.576	1.007	0	40	KDAB	
CC(=O)N[C@H](CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccccc1	12550526	KDEMPESRLXYZQO-JOCHJYFZSA-N	501.605	1.947	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	15954761	YTUKMTMUFQONEC-XDBZFTIUSA-N	525.602	1.437	0	40	KDAB	biogenic
C[C@H]1CN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)C[C@@H](C)O1	17246362	SEUFFIVUDMOZJM-CALCHBBNSA-N	512.588	1.788	0	40	KDAB	
CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1	23080641	COFSQNFVGPKJDG-LJQANCHMSA-N	500.639	1.283	0	40	KDAB	
O=C(c1ccccc1S(=O)(=O)NC[C@H](O)COc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)N1CCOCC1	29752486	ZWKVBOMSCBJWEN-ACIOBRDBSA-N	569.636	1.333	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337391	JBSTTYCSEYRTHQ-UHFFFAOYSA-N	509.032	1.372	0	40	KDAB	
Cc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1S(=O)(=O)N1CCOCC1	102927133	SKGABZCNXBAJMY-UHFFFAOYSA-N	585.726	1.976	0	40	KDAB	
COCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103097869	NZKWSIYXJDQRAL-UHFFFAOYSA-N	587.655	1.436	0	40	KDAB	
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@@H](O)C3=C(C)[C@@H](O)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C	221029511	YWLXLRUDGLRYDR-IYNRKYTHSA-N	544.597	1.082	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O	252678327	DWMRYOPFBMMZEG-JGCKISFHSA-N	605.736	1.529	0	40	KDAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)cc1	408659519	SSBGDLMMXHQLDZ-QGZVFWFLSA-N	513.503	1.556	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CCC(=O)N(C)CC(=O)N1	643577070	CUNPAAFDDXUVBA-XZOQPEGZSA-N	508.619	1.916	0	40	KDAB	
CCO[C@@]12[C@@H]3[C@H](OC(=O)c4ccccc4)[C@@](O)(C[C@@H]3[C@@]34[C@@H]5[C@H](OC)[C@@H]1[C@H]3N(CC)C[C@@]5(COC)[C@@H](OC(C)=O)C[C@H]4OC)[C@H](OC)[C@H]2O	2061000924	DXAQZKJLRXMIFW-WDZOMUEBSA-N	673.800	1.692	0	40	KDAB	
COc1ccc2c(c1)CCc1cnn([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c1-2	5410406	SWJRKNKSOYQLAM-YZUYXXDVSA-N	530.530	1.913	0	40	KDAB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1	13523877	NKIXFEVPWOZAMJ-INIZCTEOSA-N	515.009	1.621	0	40	KDAB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	20032514	QDCUMUBRKHDZDK-UHFFFAOYSA-N	503.602	1.850	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2c(C)cc(Cl)cc2C)c(N)n(Cc2ccccc2)c1=O	103060813	DPFNRFNTHPJHDP-UHFFFAOYSA-N	543.960	1.889	0	40	KDAB	
C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777505	VDNDJAZGDZNTOZ-IBGZPJMESA-N	554.065	1.656	0	40	KDAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1OC	70665050	YSIUGLOPEBEYLR-MJGOQNOKSA-N	538.601	1.573	0	40	KDAB	biogenic
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc(NC(C)=O)cc2)c(N)n(Cc2ccccc2)c1=O	103114649	LWXPTWQGVATIHT-UHFFFAOYSA-N	554.581	1.290	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](C)O)C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	252679620	PGRWPWIGJLNDHN-CTXYVOBHSA-N	758.907	1.082	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O	253499159	WPVGSIBYLZQSIK-UGEBQRKRSA-N	536.662	1.429	0	40	KDAB	biogenic
O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cn2cc(C(F)(F)F)cn2)CCO1)N1CCOCC1	585286259	YGPPFMRHXQZKLO-JOCHJYFZSA-N	514.476	1.967	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC1=O	643567392	FIWQIDRLHYTLFI-ZEQRLZLVSA-N	543.709	1.987	0	40	KDAB	
CCCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643575337	PKJFGGAEHDAMNV-KCHLEUMXSA-N	645.761	1.558	0	40	KDAB	
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)n(C)c1=O	2650709	PZOHYLXPPXYTEB-UHFFFAOYSA-N	541.026	1.653	0	40	KDAB	
O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3CCOCC3)cc2)cc1	31623990	SHGIXKGMBAVDDS-UHFFFAOYSA-N	502.593	1.061	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@@H](C)O	70700539	SMEKSEYFODSNDF-ZFWANCBESA-N	518.570	1.729	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC	224115045	HZULDDCQCQPXLV-UHFFFAOYSA-N	540.664	1.208	0	40	KDAB	
COC(=O)c1cc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc(C(=O)OC)c1	224225835	WUDOKABYSRVAJF-UHFFFAOYSA-N	520.560	1.861	0	40	KDAB	
COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224483850	CANBSQXLCCHSLB-SFHVURJKSA-N	571.674	1.074	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	224500394	KQIQUQVABYDODD-IBGZPJMESA-N	555.650	1.443	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389362	ISTWCKNDZOSMPU-YPSMHRPZSA-N	927.135	1.732	0	40	KDAB	biogenic,in-vitro
NCCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@H]1O	253531135	FYZDYCPLLSEHER-XZBVMJHXSA-N	545.541	1.120	0	40	KDAB	biogenic
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	253610387	SPVIRJDNIGLRRD-CTXMOSEYSA-N	828.990	1.164	0	40	KDAB	biogenic,in-vitro
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCCC3)cc1)O2	260888119	HPHQJSAODMNSRH-HSZRJFAPSA-N	537.660	1.892	0	40	KDAB	
Cc1cccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	260890653	PZLBBMKIQBYPMC-LJQANCHMSA-N	525.649	1.366	0	40	KDAB	
COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)cc1	524731267	QQCZVZDDPABCSP-UHFFFAOYSA-N	533.603	1.332	0	40	KDAB	biogenic
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC1=O	643565546	JBCVAOBDNLSMSC-SXOMAYOGSA-N	593.725	1.753	0	40	KDAB	
CCOc1cc(N)c(Cl)cc1C(=O)N(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)[C@@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O	1569996490	MXOZOSCURHXPKN-XMFBKKLCSA-N	612.007	1.547	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6546856	JAPDOPPAWSTUNO-GOSISDBHSA-N	517.589	1.962	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	26167266	FAXGPCHRFPCXOO-RQCVVRMBSA-N	685.904	1.467	0	40	KDAB	in-vivo
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1S(=O)(=O)N(C)C	66136552	NMQDRADIMXYWPS-UHFFFAOYSA-N	581.717	1.153	0	40	KDAB	
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)[C@H](O)[C@H]1O	123279342	IVTQNSRENYRSBR-BLWRRDJYSA-N	524.651	1.573	0	40	KDAB	
O=S1(=O)C[C@H]2SC(=S)N(CCCCCCN3C(=S)S[C@@H]4CS(=O)(=O)C[C@H]43)[C@H]2C1	222187576	OWJNEVVWEFAPIV-XJFOESAGSA-N	500.780	1.545	0	40	KDAB	
COc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	224087816	CLBOLKSKNVHWFE-UHFFFAOYSA-N	515.585	1.256	0	40	KDAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCOCC3)cc1)O2	224476985	WEMDSWFZRYBOKR-DEOSSOPVSA-N	581.713	1.727	0	40	KDAB	
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	253610388	SPVIRJDNIGLRRD-GGGFVPCKSA-N	828.990	1.164	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)NCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O)cc1	257247062	IXFRHDJKJCGLBH-HNBVOPMISA-N	527.582	1.167	0	40	KDAB	
O=C(c1ccc(O)nc1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580360	DINPEUMMMWJFQX-XZOQPEGZSA-N	512.607	1.746	0	40	KDAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)c(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC)c(OC)c1	1879254	ZOXIYCJHLRJPSU-HNLWVNFGSA-N	568.604	1.194	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1	9578750	RKPOOUVBGFQWSC-UHFFFAOYSA-N	503.566	1.681	0	40	KDAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c(OC)c1	20104633	UXLONDKWZYGYAC-UHFFFAOYSA-N	521.577	1.699	0	40	KDAB	
NC(=O)c1cc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc(C(N)=O)c1	103135758	RSJYWVJLBXMXIG-UHFFFAOYSA-N	551.537	1.534	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@@H]([C@H](OC)[C@@H]23)[C@@H]14	253492313	PHDZNMWTZQPAEW-BHOUVNRYSA-N	629.747	1.677	0	40	KDAB	biogenic
CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@@H]3C[C@H]2C1	257264029	LSOLGNNSFXNZMI-BEDREIPZSA-N	551.633	1.740	0	40	KDAB	
CCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)CCCC(=O)C[C@@H](O)[C@@H](CC)C(=O)O1	263603198	NFPGARBTLUEZRE-USSUJLKDSA-N	767.910	1.545	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643568503	FWKCMKMPNFKJGI-ZEQRLZLVSA-N	625.723	1.323	0	40	KDAB	
CCN(CC)CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643577351	XNIQERWJUDUCKW-DTXPUJKBSA-N	688.830	1.100	0	40	KDAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@@H]4CC[C@@]23C)O1	1549184164	DOBBVWQBEBEQJI-KBIQUAFJSA-N	801.024	1.362	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@@H]2SC1	8715745	HNETYTVYQRECAI-ACJLOTCBSA-N	504.899	1.653	0	40	KDAB	
CCCN(C(=O)COC(=O)COc1ccccc1OCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	62572321	OTLCCPURKNHSPN-UHFFFAOYSA-N	510.547	1.931	0	40	KDAB	
CC1CCN(S(=O)(=O)c2cc(C(=O)OCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)ccc2Br)CC1	103136439	BSFODYASEBJVPQ-UHFFFAOYSA-N	581.445	1.863	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2	224302220	LJMQQUBZCLCSLB-UHFFFAOYSA-N	539.632	1.204	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4C=C[C@@]56OC[C@@]7(CCC(C)(C)C[C@H]75)[C@@H](O)C[C@@]6(C)[C@]4(C)CC[C@H]3[C@]2(C)CO)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O	245205017	KYWSCMDFVARMPN-GWBLEXMFSA-N	780.993	1.777	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643565204	DJKCBTLNYOSLIE-XUZZJYLKSA-N	528.581	1.549	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCCOc3ccccc3C(=O)N2)cc1	643567251	APEOUHFHMDAPBP-UIOOFZCWSA-N	590.633	1.321	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3ccccc3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548891062	VWYGAAHASTYARD-YADHBBJMSA-N	595.682	1.571	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NC1CCCCC1)CC2	1548891118	XHDIYVTUXBDIFS-UXHICEINSA-N	520.652	1.586	0	40	KDAB	
CC(C)(O)CCC(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	49833277	QCAZYVAEXLGYLV-FQBWLROLSA-N	678.816	1.102	0	40	KDAB	biogenic
CCOC(=O)c1s/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)n(C)c1C	100843314	QFUINHQOVNVIMJ-XTQSDGFTSA-N	524.621	1.776	0	40	KDAB	
CCSc1ccc2c(cc1=O)[C@H](N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCc1cc(OC)c(OC)c(OC)c1-2	104155489	GQVWLSDYJIVSGP-HTQKLSCPSA-N	549.642	1.228	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224485500	VBSFSFMUXVFVGF-OAQYLSRUSA-N	543.639	1.586	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)cc1	257344633	ZYCCKDSBFJUSHP-PIKOESSRSA-N	527.582	1.167	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643550676	FPXFTKPCRBIJGP-MZYLBHOOSA-N	552.628	1.369	0	40	KDAB	
CCN1CC(=O)NCCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC1=O	643570075	IFOTVKZIZDQPFN-DEOSSOPVSA-N	568.646	1.926	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CO)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582517	FTFNQXGFIXKVJD-DQEYMECFSA-N	550.656	1.374	0	40	KDAB	
O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223293379	SAQJHSHOTMBZFI-NDEPHWFRSA-N	567.664	1.965	0	40	KDAB	
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	253533799	URJQSMIFSMHWSP-SFLQSKANSA-N	572.765	1.484	0	40	KDAB	
O=S1(=O)C[C@@H](O)[C@H](N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1	575423591	GOEDFBBNTFJLNM-QZTJIDSGSA-N	543.472	1.121	0	40	KDAB	
COC(=O)[C@@]1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	2060993683	NMDFCFOQBAHNPV-FHEANPSESA-N	810.975	1.647	0	40	KDAB	
CC(C)Cn1c(N)c(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(=O)n(C)c1=O	12630922	KRRNUWQYZDQHOV-UHFFFAOYSA-N	503.547	1.311	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1	22246687	LLVPKENMFFOVQJ-FQEVSTJZSA-N	505.593	1.894	0	40	KDAB	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C	85602891	YGLOALWHJIANIH-PQTMRPCPSA-N	665.700	1.098	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O	103119333	SSDGGIMGRGKXTQ-HSZRJFAPSA-N	534.616	1.500	0	40	KDAB	
O=C1NC[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(-c2ccc(N3C(=O)NC[C@H]4CS(=O)(=O)C[C@@H]43)cc2)cc1	575421603	JEWKXYCENAKGCH-UDKICSLYSA-N	530.628	1.239	0	40	KDAB	
CC(=O)N1CCCN(C)CCN(C(=O)c2cnn([C@H]3CCN(S(C)(=O)=O)C3)c2)Cc2ccccc21	643554180	MPFXVBGNARGIFZ-QFIPXVFZSA-N	502.641	1.420	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643567714	RODWNKASEFPOCH-VXKWHMMOSA-N	515.655	1.159	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576047	FYVYLDOQBGCIKZ-SVBPBHIXSA-N	634.778	1.298	0	40	KDAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1csnn1)CC2	1548891216	YQSFZNJTFOQCQW-YADHBBJMSA-N	570.697	1.658	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(CC3CCCC3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548891365	ZZXBKRGBPNWDCM-YADHBBJMSA-N	558.705	1.530	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@H]3SC2)s1	2783523	XRFBNNUAPBPTOX-QMTHXVAHSA-N	520.540	1.743	0	40	KDAB	
CCN(C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)[C@@H]1CCS(=O)(=O)C1	12529056	PIGWWQDIZYWHTP-MRXNPFEDSA-N	516.544	1.958	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)c1	38784375	MSPWRBWKFJNDSG-DEOSSOPVSA-N	522.606	1.131	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)C(C)C	70700009	AFDUFVPNZWQZMI-FDFHNCONSA-N	540.642	1.937	0	40	KDAB	biogenic
CCOC(=O)CCN1CCN(CCC(=O)OCC)CCN(CCC(=O)OCC)CCN(CCC(=O)OCC)CC1	100010887	YBLYQSYLMCAUFO-UHFFFAOYSA-N	572.744	1.021	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575425232	ROPRTGGPFKWAIE-PMACEKPBSA-N	530.690	1.047	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)cc2)cc1	575426077	LWWKAEFABZXFMV-OAQYLSRUSA-N	532.662	1.250	0	40	KDAB	
CCN1C[C@@]2(COC)[C@@H](O)C[C@@H](OC)[C@]34[C@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccc(OC)cc7)[C@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@H]([C@H](OC)[C@@H]23)[C@@H]14	584567096	LLEMSCWAKNQHHA-KSSJBVCUSA-N	659.773	1.686	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643568945	GUGCYJYKWCZHBG-VXKWHMMOSA-N	517.671	1.405	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	6511868	YAQKKPAGOYYBGW-IDFBPUONSA-N	596.630	1.229	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccc(C)o1	12769989	CTSRTPPNWRPAQB-OAQYLSRUSA-N	501.492	1.750	0	40	KDAB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1	100774090	HMHBYTHXWJFQDH-YRPNKDGESA-N	518.611	1.490	0	40	KDAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100872940	AMTBFCRQAFDNIY-GRITWOACSA-N	568.699	1.536	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)OCO2	224230465	VBJCMLIMKZYOID-UHFFFAOYSA-N	513.594	1.017	0	40	KDAB	
C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224495534	CRPAPAVLOZXCDX-SFHVURJKSA-N	541.648	1.066	0	40	KDAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C=C3[C@H](OC(C)=O)C[C@@]4(O)[C@@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)CC2)[C@@H]1O	253476377	DPFSNFFFCPHBOW-GALCRTMZSA-N	606.709	1.687	0	40	KDAB	biogenic,in-vitro
O=C(O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4ccccc4C(=O)N3)CC[C@@H]2O)cc1	514287581	NSHOWRVKVBFGSH-AKNSVXHUSA-N	523.586	1.565	0	40	KDAB	
CC(=O)O[C@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C	4262237	YWLXLRUDGLRYDR-IVACEYAUSA-N	544.597	1.082	0	40	KDAB	
COCCN(C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	18211667	APIKISNMZVPULE-WANOEJIPSA-N	526.590	1.021	0	40	KDAB	
CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N	19941062	NUYYUQCLQRZKSQ-SFHVURJKSA-N	523.059	1.908	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OC[C@H]2O[C@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	97986413	KQPACFUEGAAHNG-MDWBVZJKSA-N	669.721	1.904	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	100248091	QACCEXUDTIMBQQ-SXXASDTRSA-N	562.395	1.214	0	40	KDAB	
COC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccnc1	102649912	SEOQBBUYBNOTQV-UMSHPIDHSA-N	532.603	1.208	0	40	KDAB	
CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O	150339222	YGXCETJZBDTKRY-FPFAQMSISA-N	866.973	1.270	0	40	KDAB	in-vitro
COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224295007	FNKGNSZHCWRMLC-UHFFFAOYSA-N	511.622	1.441	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	224823812	AHIQYTHYRNMUDV-UHFFFAOYSA-N	551.687	1.490	0	40	KDAB	
COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@H]5[C@]3(C[C@]3(O)[C@H]6CN7C[C@H](C)CC[C@@H]7[C@](C)(O)[C@]6(O)[C@@H](O)C[C@@]53O)O[C@@]24O)cc1OC	248330445	FVECELJHCSPHKY-HSELXFHLSA-N	673.800	1.356	0	40	KDAB	biogenic
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253397299	FNKMLABNOBPKQS-RKDXIHMYSA-N	607.756	1.867	0	40	KDAB	
CC(C)N1CCN(CC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)CC1	585284243	IWIJCPFHPOYGDP-SANMLTNESA-N	506.619	1.077	0	40	KDAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCNC1=O	643568572	WMWRXFZCOYANCK-RPLLCQBOSA-N	606.724	1.398	0	40	KDAB	
CCN1C[C@@]2(COC)CC[C@H](OC)[C@]34[C@H]2[C@H](OC)[C@H]([C@@H]13)[C@]1(OC(C)=O)[C@H](O)[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1	2060993615	PHASMOUKYDUAOZ-JXJJPXCYSA-N	629.747	1.677	0	40	KDAB	
CC(=O)O[C@H]1CO[C@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]4C2(C)C)[C@@H](OC(C)=O)[C@@H]1O	2061000217	HVPKALQHGQMJER-HCQREJOCSA-N	869.055	1.866	0	40	KDAB	
CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1	14357919	CJKJBMMMYIJJKO-LJQANCHMSA-N	515.588	1.805	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C(C)=O)cc3)CC2)c1	38784331	MQLDPIBDLDGJIB-XMMPIXPASA-N	507.591	1.376	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	70692147	BWOSPXZFPDQYRC-GPNHVJLWSA-N	526.977	1.504	0	40	KDAB	biogenic
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccccc1OC(F)F)c(=O)n2Cc1ccccc1	103054408	CFSZILNMFFLWBI-UHFFFAOYSA-N	557.510	1.838	0	40	KDAB	
O=C(O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	408593484	PWIHAIILQXUGOX-YCRREMRBSA-N	572.049	1.337	0	40	KDAB	
CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12)c1csc(N)c1	3097992	YHXSMTDUJBWRBI-UUWJRZORSA-N	526.647	1.372	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)CC2)cc1	13565732	WOVPQYZTKKXJCF-HSZRJFAPSA-N	504.584	1.801	0	40	KDAB	
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	14634421	KMLLSVFLWTVALQ-UHFFFAOYSA-N	524.617	1.670	0	40	KDAB	
COCCNC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)NCCOC)c(C)c2)cc1C	16044428	JFMONUHCBXUUIA-UHFFFAOYSA-N	508.593	1.419	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1	20676892	GFOVADPGYZJPNX-OAQYLSRUSA-N	514.424	1.927	0	40	KDAB	
COc1cccc(/C=C/C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1OC	32972026	QSVFDEXNEFUVSY-VAWYXSNFSA-N	515.611	1.953	0	40	KDAB	
C=C(Oc1cc(C(=O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O	67903646	QPTBIDGWTVNLQQ-MYCYEZBNSA-N	656.553	1.154	0	40	KDAB	biogenic,in-vitro
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O	70705637	JRIRYTIZEVHCKZ-WIQPIVSASA-N	580.642	1.022	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C)[C@@H]2SC1	97948173	HVCYMXSWVDGCQW-LRDDRELGSA-N	555.329	1.665	0	40	KDAB	
CCN(C(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982450	GHNZAHPISLILMH-UHFFFAOYSA-N	528.587	1.236	0	40	KDAB	
COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	98005949	IJOAIKTXOURHMD-ZNMAMXLYSA-N	605.515	1.055	0	40	KDAB	
CC(C)Oc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1	224238395	UOVRQHNNNQSTKR-UHFFFAOYSA-N	513.638	1.685	0	40	KDAB	
COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@H]5[C@]3(C[C@]3(O)[C@H]6CN7C[C@H](C)CC[C@@H]7[C@@](C)(O)[C@]6(O)[C@@H](O)C[C@@]53O)O[C@@]24O)cc1OC	248330446	FVECELJHCSPHKY-NBGIQWEKSA-N	673.800	1.356	0	40	KDAB	biogenic
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)OC(C)(C)C=C4)cc1	584578924	WNTBDGJNPGBIQF-RGONPABSSA-N	658.653	1.417	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@H]1OC(c2ccccc2)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)C1OC(C)=O	4403227	AVGQXSYFSKVNNV-LAZIGCDSSA-N	510.492	1.391	0	40	KDAB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)O)(c2ccccc2)CC1	8791747	SPBXPULOXXTYEM-OALUTQOASA-N	516.595	1.391	0	40	KDAB	biogenic
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	12632772	DPEKLBGOWAPQAW-HXUWFJFHSA-N	518.101	1.995	0	40	KDAB	
CC(C)(N)C(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12	13493966	UMUPQWIGCOZEOY-QFIPXVFZSA-N	528.675	1.765	0	40	KDAB	in-vitro
C(CCN1CN(CCCCN2CCOCC2)CN(CCCCN2CCOCC2)C1)CN1CCOCC1	19322730	SDJNIDLZEQBUOJ-UHFFFAOYSA-N	510.768	1.116	0	40	KDAB	
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	38139424	YVEGHWQORVMIAQ-UHFFFAOYSA-N	529.036	1.889	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2cccnc2)c2sc(=O)[nH]c2S[C@H]31)N1CCOCC1	100971819	XDIYADHIPATDPF-XGURWNGZSA-N	512.613	1.164	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1	222623568	LNNYTIBMOIJUNL-QGZVFWFLSA-N	513.613	1.638	0	40	KDAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226051303	VQUNVDDJVFIMJY-UHFFFAOYSA-N	535.688	1.784	0	40	KDAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@H]54)[C@H]23)cc(OC)c1O	245228893	IHWRBHBKLZOBIG-POTOHGMOSA-N	518.569	1.717	0	40	KDAB	
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	252463641	MUEUOXPTUMGVJS-BAWATOLRSA-N	838.985	1.562	0	40	KDAB	biogenic,in-vitro
O=C1C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643565062	CLSLRKBYNYGHBL-NPAAKHOSSA-N	591.709	1.594	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643574727	MQCXEDPYPIPCFJ-GHPAMLPFSA-N	710.832	1.610	0	40	KDAB	
CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643574884	XYYXTOAMIMKFRG-LMERMFHRSA-N	690.842	1.707	0	40	KDAB	
CNCCOc1cccc(C(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(C)=O)CC2)c1	643586383	FLFJDOWZGIWZQN-ZONZVBGPSA-N	537.698	1.539	0	40	KDAB	
CC(=O)O[C@@H]1CO[C@@H](Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5940399	AYHXGRCDXNVITL-XLBJILASSA-N	517.495	1.354	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	15954594	NDZHVBKIFZZSOO-CBZJRKILSA-N	511.575	1.047	0	40	KDAB	biogenic
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@H]2[C@@H](C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@]12C	85341033	OODLPYNTTOEQHX-LNCKOTGFSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@@H]2SC1	97945449	WSCPUQTYWBJXKL-OTYXRUKQSA-N	527.275	1.117	0	40	KDAB	
C/C(Cl)=C/Cn1c(=O)n([C@@H]2CC(=O)N(c3ccccc3)C2=O)c(=O)n([C@@H]2CC(=O)N(c3ccccc3)C2=O)c1=O	101151488	OXCFCVZHTJPCEJ-WASAWGCPSA-N	563.954	1.324	0	40	KDAB	
COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)n2)cc1OC	223594927	MUVBEGXLRTZOGU-UHFFFAOYSA-N	518.548	1.713	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H](C[C@@H]23)[C@@H]14)[C@]5(O)[C@H]6OC	249698257	VSUODASNSRJNCP-FOHOTBBUSA-N	542.673	1.845	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H](NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O	252679621	PGRWPWIGJLNDHN-JWLDDNKLSA-N	758.907	1.082	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	253388525	KBGNYIWYDYVUFP-AOUYNMIASA-N	793.948	1.607	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389326	HRDMCVCODUFPBQ-WFRXPGIISA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)n(C)c2cc(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)ccc21	257316182	VEMKEJGKKPMGTB-FQRUVTKNSA-N	534.621	1.305	0	40	KDAB	
COc1ccc2cc([C@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)c(=O)n(C)c2c1	524729206	ITELZUSDYCUCRD-LZNRXBQRSA-N	572.618	1.994	0	40	KDAB	biogenic
COCC(=O)N1CCN(Cc2cccc(OCCN3CCOCC3)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585280716	ABOQERBDHPOZPH-LJAQVGFWSA-N	527.662	1.807	0	40	KDAB	
CC(=O)O[C@H]1CO[C@H](O[C@@H]2CC[C@@]34C[C@@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H](OC(C)=O)[C@@H]1O	2061000219	HVPKALQHGQMJER-JQEKYNGDSA-N	869.055	1.866	0	40	KDAB	
COC(=O)C1CCN(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)C)CC1	14359384	CMTUOYQFRIJAIV-SFHVURJKSA-N	508.515	1.963	0	40	KDAB	
COc1ccc(-n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc3ccc(O)cc3c2=O)cc1OC	16044843	VMYFQLBIQIITNO-HNNXBMFYSA-N	519.601	1.846	0	40	KDAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	17577304	VGKXRNPVETVXON-GOSISDBHSA-N	580.667	1.856	0	40	KDAB	
Cn1nc(C(=O)N(CC(=O)O)Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1-c1ccc(F)cc1	585268731	WUFKDAJUCCBREZ-UHFFFAOYSA-N	516.551	1.974	0	40	KDAB	
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	1559593903	RPYOQSQAINUUEA-OAQYLSRUSA-N	506.536	1.981	0	40	KDAB	
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21	15968052	IPOBZGPDCBNMIG-DVVWYOFYSA-N	506.559	1.105	0	40	KDAB	biogenic
C[C@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	97981346	ARIOUURTYJYSES-OAHLLOKOSA-N	558.777	1.849	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](NC(=O)CCCCCNC(=O)OCc2ccccc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	106051354	IOPFVSXJJUSZIV-WQHJJIHZSA-N	593.630	1.246	0	40	KDAB	
CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccc(Cl)cc21	224476706	XLKGZNMVWRFULM-NRFANRHFSA-N	560.050	1.083	0	40	KDAB	
Nc1ncc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)s1	643577702	FDATYLQTZNPOBD-VQTJNVASSA-N	517.652	1.684	0	40	KDAB	
CCN(C(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666480	UCAAZEXJSWXSNY-ACCUITESSA-N	508.531	1.794	0	40	KDAB	
CCOC(=O)/C=c1/s/c(=C\c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@@H](C)O[C@H](C)C1	105525791	YGKNMQCWVJOQAC-RSVBIOLNSA-N	504.605	1.125	0	40	KDAB	
CO[S@](=O)(=S)CCNC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	169811003	WWCPISCDFZLLAA-TYRGERPGSA-N	743.012	1.989	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O	225231919	FOCGWHXEWJUTKN-UHFFFAOYSA-N	515.585	1.256	0	40	KDAB	
CC[C@H](C)[C@H](N)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	245333835	BBLHYOJGXPTSMN-BUQBWPEYSA-N	568.671	1.862	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(C/C=C/C[C@H]3COCC[C@H]3NC1=O)CCN(C(=O)[C@@H](N)CCC(=O)O)CC2	257208646	BMZMSWSHQRIEGQ-RHZQZDJCSA-N	506.644	1.190	0	40	KDAB	
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccc(OCCNC(=O)OC(C)(C)C)c2)[C@@H](O)[C@@H]1O	257259904	LAPODAZOTKDVNM-VURPSTOHSA-N	541.609	1.627	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)nc(O)nc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408938156	KWMYSTSXFOSFCX-CFINBHSISA-N	512.544	1.492	0	40	KDAB	
CC(C)[C@H](N)COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O	2037879594	GGCCQKQEGWJYJE-DZUANBCISA-N	505.999	1.993	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N	6547053	DSYRNPFQXAKIFB-SFHVURJKSA-N	501.521	1.186	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1	13525544	NKALNJGJYCNIOW-MRXNPFEDSA-N	507.030	1.707	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1	22933537	UMLJFMFQQXSCOK-OAQYLSRUSA-N	511.554	1.028	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	123307238	AMRMTJOEQNHFBE-HEQGEZKBSA-N	596.670	1.996	0	40	KDAB	
CC1(C)CC[C@]2(CO)C(=C3C=C[C@@H]4[C@](C)(CC[C@@H]5[C@@](C)(CO)[C@H](O[C@H]6O[C@@H](O)[C@@H](O)[C@@H](O[C@H]7C[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@]54C)[C@@]3(C)C[C@H]2O)C1	584578858	BABOTIPYYYYAPU-OYAQAOKZSA-N	780.993	1.274	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CC(=O)NC(C)(C)C(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643568024	GWOYQKVALXWFHH-VWNXMTODSA-N	551.688	1.648	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3C[C@@H]4[C@@H](C[C@H](O)[C@@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]45C)[C@]4(C)C[C@@H](C)[C@@H](O)C(C)(C)[C@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	1529054654	ODVSKBPWRRQPNN-KDVKXLIPSA-N	801.024	1.215	0	40	KDAB	
CC1(C)[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@H]2S1(=O)=O	8876402	BVLVIFMBEXJMPU-MDNUFGMLSA-N	508.600	1.646	0	40	KDAB	biogenic
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	13012505	RKKWSGLLFVCCKI-UHFFFAOYSA-N	503.577	1.888	0	40	KDAB	
Cc1cc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1	19823865	JQXMBDPTHJGUOZ-UHFFFAOYSA-N	501.697	1.876	0	40	KDAB	
CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)c(=O)c2cc3c(cc21)OCO3	20590477	CGHJZFCWNTWWQI-QFIPXVFZSA-N	520.586	1.540	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c1	25422176	MIAAQYIVZZHJSA-UHFFFAOYSA-N	516.370	1.984	0	40	KDAB	
CCOC(=O)c1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1	32682360	XNTJHCWXQJCVAB-DNQXCXABSA-N	530.618	1.837	0	40	KDAB	
COC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1	34389352	GNLJLESLCWFQBT-VJSYINPZSA-N	510.549	1.604	0	40	KDAB	
CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCC2	101170411	XUTMLUPUYFFEIL-PWIZWCRZSA-N	527.548	1.710	0	40	KDAB	
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1=O	102896348	LITOKWYTFAGZOM-VWLOTQADSA-N	548.593	1.533	0	40	KDAB	
CC(=O)c1cccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1	103021004	DWDMVFGDRCJXDR-UHFFFAOYSA-N	561.613	1.307	0	40	KDAB	
O=C(COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103115437	NNULXSMWBKAJPF-RUZDIDTESA-N	577.015	1.236	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6[C@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]45C(=O)O)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O	253500604	CPLXLUNIGVIJMQ-WVSOXSLZSA-N	941.118	1.682	0	40	KDAB	biogenic,in-vitro
COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC1=N[C@H]2[C@@H](C(=O)N(C)C(=O)N2C)N1C	408846486	SOWAOHYNVMQDIF-YOZASHSNSA-N	518.555	1.364	0	40	KDAB	
O=S1(=O)C[C@@H](O)[C@H](N(c2ccc(NS(=O)(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)C1	575426559	VRORDCJPERPHEP-FGZHOGPDSA-N	522.626	1.841	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643580697	NEGMECPCBPLBQJ-AFEGWXKPSA-N	737.858	1.944	0	40	KDAB	
CC(=O)N[C@@H](CCCCN)C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829053	IFBGHSMFHNJNAK-PUHABZHSSA-N	581.758	1.828	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	2037916313	IGTKTHYKLSHQIP-WAKHXKBOSA-N	661.731	1.756	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(O)cc1	1820107	BJFGZGHWRNMLLN-LJLZWOEMSA-N	508.552	1.351	0	40	KDAB	
CN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1	22521652	GKLKBPNBGYKLQB-UHFFFAOYSA-N	501.491	1.745	0	40	KDAB	
CC(C)(C)OC(=O)N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1	72329749	CVWBUGFYZRGVKS-UHFFFAOYSA-N	512.523	1.871	0	40	KDAB	
CC1(C)CC[C@]2(CO)C(=C3C=C[C@@H]4[C@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O[C@H]6O[C@@H](O)[C@@H](O)[C@@H](O[C@H]7C[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@@]45C)[C@@]3(C)C[C@H]2O)C1	584578857	BABOTIPYYYYAPU-FJTKFLHLSA-N	780.993	1.274	0	40	KDAB	
CC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C	1570007908	YWLXLRUDGLRYDR-BFNYPRFGSA-N	544.597	1.082	0	40	KDAB	
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)C1	67336915	OFUUCPPBBGALHE-IBGZPJMESA-N	533.651	1.745	0	40	KDAB	
CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1	67336948	KDPPRQSBYHZBSM-UHFFFAOYSA-N	518.684	1.888	0	40	KDAB	
O=C1C=CC(=O)N1c1ccc2c(c1)OCCOCCOc1cc(N3C(=O)C=CC3=O)ccc1OCCOCCO2	100543073	RVTPYCXPESKRRQ-UHFFFAOYSA-N	550.520	1.808	0	40	KDAB	
CCN1C[C@]2(OC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC	100742714	VSUODASNSRJNCP-XXSUGQNLSA-N	542.673	1.845	0	40	KDAB	
CO[S@](=O)(=S)CCNC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	252438309	WWCPISCDFZLLAA-NJGLIBBZSA-N	743.012	1.989	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2[C@H]1O	252463652	NZNHJGNBLPBNLU-HPQAKYHSSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)N1CC[C@H]2O[C@H]3c4ccc(O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]5O)cc4OC(C)(C)[C@@H]3C[C@H]2C1	257264032	LSOLGNNSFXNZMI-XYBIXWKUSA-N	551.633	1.740	0	40	KDAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(C1Cc3ccccc3C1)C2	514287507	HGDQMPJRPNHWDN-QIJYUAQKSA-N	505.615	1.834	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643564872	KSNDUSYYUWOWJS-SGIRGMQISA-N	529.682	1.403	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)COc2ccccc2C(=O)N1	643565596	KHPBTNSHFZABOA-ZJPWWDJASA-N	543.709	1.840	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3C[C@@]4(C)[C@@H](C[C@H](O)[C@H]5[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)CC[C@@]54C)[C@]4(C)CC[C@@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	669679204	JBGYSAVRIDZNKA-MQBYQTELSA-N	801.024	1.359	0	40	KDAB	
Cc1ccc(OCCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCOc2ccc(C)cc2)cc1	12990197	CJWNYPHLWTURIP-UHFFFAOYSA-N	500.548	1.860	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cc(S(=O)(=O)N2CCOCC2)cs1	15304016	UHOXATNNMSRKMQ-UHFFFAOYSA-N	519.598	1.181	0	40	KDAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1	38144991	PFAZDXRTDCVISO-RUZDIDTESA-N	546.646	1.679	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876674	SYWHYMMZUMALRL-YWHNGMMOSA-N	582.682	1.062	0	40	KDAB	
COC[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)[C@H](NC(C)=O)[C@@H](O)[C@H]1O	247847865	NLFUQHCGODFTIB-PSKBVYBSSA-N	911.140	1.743	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643564724	CBRBITKEZQIYBF-ALBQUZEBSA-N	670.852	1.899	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC	20031359	BZBKVPQITSKPGJ-KRWDZBQOSA-N	525.649	1.862	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20032644	TZBXABOGXGERDY-UHFFFAOYSA-N	525.649	1.481	0	40	KDAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)NC(C)C	20033180	MCWMICULDBFHOH-UHFFFAOYSA-N	511.622	1.333	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34651284	JAFHRXBUMPKHBC-VDRZXAFZSA-N	520.318	1.806	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1	100277750	MKEHXQYQEVGDNN-XXBNENTESA-N	543.650	1.500	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2	224488098	KCWDACJMELDJRJ-UHFFFAOYSA-N	583.685	1.220	0	40	KDAB	
Cc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225480777	FZBRMHXQOCLEDX-SFHVURJKSA-N	524.665	1.733	0	40	KDAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)c3cccc(OCCCNC(=O)OC(C)(C)C)c3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257284493	PCXGHEILCCGUHN-XRXFAXGQSA-N	532.594	1.406	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C)c(C)cc2C)cc1C	575421210	HIEUBBLMDRKDBH-YADHBBJMSA-N	558.744	1.664	0	40	KDAB	
C[C@H](O)C(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O[C@@H](C)C(=O)O	2060999827	VNKAYSKYAPOBNN-OKTBNZSVSA-N	577.109	1.026	0	40	KDAB	
CC[C@@H](C)[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O	5351611	GNBHVMBELHWUIF-RAEUIGNCSA-N	593.766	1.316	0	40	KDAB	in-vitro
CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	12611781	DAQFWDYFFMXLDY-UHFFFAOYSA-N	516.041	1.688	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2ccccc12	19821051	ZZACIWYJPDNMKQ-JOCHJYFZSA-N	503.559	1.546	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)ccc1-n1cnnn1	100446125	XJUMSBHLGQZSGU-UHFFFAOYSA-N	550.580	1.967	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O	224443921	SOBDHDNPMWFKGI-SFHVURJKSA-N	511.622	1.057	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCOCC1	225566792	CVFXHWBSPFIKSJ-UHFFFAOYSA-N	517.604	1.760	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2	253399118	ILIRERYXTAZEHK-AYEXWZOKSA-N	562.714	1.439	0	40	KDAB	
O=C(CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	257283938	PANXNEWXMDNKEN-FGZHOGPDSA-N	503.577	1.622	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCCOCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	4018340	SUBKUVQNBDPTSZ-CLJLJLNGSA-N	668.835	1.058	0	40	KDAB	
COC(=O)CN(CC(=O)OC)c1ccc(C)cc1OCCOc1cc(C=O)ccc1N(CC(=O)OC)CC(=O)OC	4293798	GKTVRWOCZLYLJV-UHFFFAOYSA-N	574.583	1.570	0	40	KDAB	in-vitro
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C[C@@H](C)O1	15940759	XSZORROSSCNIID-HDICACEKSA-N	523.633	1.758	0	40	KDAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)OC(C)(C)C=C4)cc1	584578923	WNTBDGJNPGBIQF-MIWBMRQISA-N	658.653	1.417	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCCN(C)CC2)c1	643585255	UFBLWPZLPPMWQI-QAXKFHDJSA-N	620.832	1.870	0	40	KDAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3ccoc3)[C@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]3(C)O	2061001020	QFIYSPKZWOALMZ-OJSDTKFHSA-N	857.815	1.750	0	40	KDAB	
O=C(NCCCN1CCOCC1)C(C(=O)NCCCN1CCOCC1)c1ncc(C(F)(F)F)cc1Cl	12955942	QDTKFZJHHCHOCN-UHFFFAOYSA-N	535.995	1.514	0	40	KDAB	
CC(=O)OCOC(=O)COc1cc2cc(-c3ncc(C(=O)OCOC(C)=O)o3)oc2cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O	95696901	PCDUVTXECKTHBH-UHFFFAOYSA-N	722.565	1.142	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)[C@@H](C)C2)c1	95946019	YIILSOFPBLGVND-HNNXBMFYSA-N	500.595	1.805	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O	100829275	DVGGLGXQSFURLP-FSXKKOPOSA-N	594.525	1.725	0	40	KDAB	endogenous,in-man
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccccc2C)n1C	101575247	GDZJPAKEKJDVRZ-SMQFJCFBSA-N	564.617	1.451	0	40	KDAB	
Cn1c(=O)n(C)c2cc([C@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)ccc21	524729970	PPOPQTRPHDJUNX-KPFFTGBYSA-N	545.596	1.324	0	40	KDAB	biogenic
COCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643566316	CFPYCKICRPBITR-NHTMILBNSA-N	536.629	1.439	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N(C)CCCC(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643571903	QBPQFWFOZCQOOV-LSYYVWMOSA-N	653.825	1.895	0	40	KDAB	
CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)CC(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643574721	MASGUMHOHOTMHU-VTIYRKAUSA-N	710.832	1.863	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1	12528557	NSQWRMOVQMQYBQ-UHFFFAOYSA-N	524.640	1.823	0	40	KDAB	
COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1	12645391	MVZGRITYSXRFQV-UHFFFAOYSA-N	506.309	1.800	0	40	KDAB	
CC[C@@H](C)[C@@H](C(=O)N1CCOCCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O	39988422	NNTKCANJLUEGJP-OFNKIYASSA-N	506.596	1.623	0	40	KDAB	
CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O	94303285	HFOWQTSULPOIHU-RWJQBGPGSA-N	751.952	1.306	0	40	KDAB	in-vitro
Cc1ccc(S(=O)(=O)N(CCO)CCN(CCN(CCO)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	95101081	TXTBLKWDZNJGDD-UHFFFAOYSA-N	653.845	1.969	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1	97990811	LLYFGCVQHOMVRH-QHCPKHFHSA-N	543.621	1.405	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	105899248	QACCEXUDTIMBQQ-AIHBUXEESA-N	562.395	1.214	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl	224210207	VVPIBJBEPWHLBO-UHFFFAOYSA-N	520.029	1.560	0	40	KDAB	
CCN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(F)ccc1OC	226076562	UWHQDGZKFWJXES-UHFFFAOYSA-N	527.640	1.988	0	40	KDAB	
CN1CCC(N2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253396931	FGAFNNSDGCMHTR-QMMWJRKVSA-N	566.703	1.115	0	40	KDAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O	408548508	HXGGZQVBQMTKFB-YCRREMRBSA-N	528.040	1.667	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2cccc(F)c2)NC(=O)c2ccccc2OCCNC1=O	643562556	QLFKHQGROZTENV-YADHBBJMSA-N	512.582	1.713	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643565744	MJJIAWLKSAEPJO-LEWJYISDSA-N	503.644	1.015	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643567279	BIRXVRWIRUAXCF-BJKOFHAPSA-N	543.709	1.987	0	40	KDAB	
COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2)cc1OC	3363760	JWIWEMMQZAGEOZ-UHFFFAOYSA-N	508.560	1.906	0	40	KDAB	
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1Cl	10288093	TVCKQWCWWSRUFL-UHFFFAOYSA-N	516.041	1.956	0	40	KDAB	
O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	12080802	IYMMXQLFAIHWLH-KRWDZBQOSA-N	516.801	1.882	0	40	KDAB	
COc1ccccc1CCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCc1ccccc1OC	12919339	NTKBZJSNBNQPDQ-UHFFFAOYSA-N	500.548	1.588	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1S(=O)(=O)N1CCOCC1	22511356	RPTMKBPOQCEEBD-UHFFFAOYSA-N	509.606	1.952	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	101571190	OQNVHIFZVHJAFW-CFEGQOMGSA-N	555.329	1.836	0	40	KDAB	
O=C(O)CN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O	408590913	HBVDINZHEIOOFF-KRXBUXKQSA-N	514.013	1.579	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cccc(OC)c1	408856315	BXHGNUFVKWCJER-FJWZAKCXSA-N	518.595	1.997	0	40	KDAB	
COc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)c1	643578289	NSTBBTFSCIFIPL-IUGBQFMMSA-N	566.655	1.903	0	40	KDAB	
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)O[C@H]1CCC=CCCC1	953097400	TZGDGNPQUCQZSR-YTTGMZPUSA-N	759.891	1.182	0	40	KDAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1	20033210	LTGALHOFEZBYNZ-UHFFFAOYSA-N	523.633	1.431	0	40	KDAB	
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O	32859601	APYUPSCYHZCDSW-HSZRJFAPSA-N	504.540	1.642	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851760	FJHGTHFRDXEOFU-UHFFFAOYSA-N	537.660	1.624	0	40	KDAB	
CCn1cc(C(=O)NCCN2CCOCC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338616	JPBZNTMTYWJPSY-UHFFFAOYSA-N	504.657	1.093	0	40	KDAB	
O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103092714	CXIBFANOJADLNG-CMKODMSKSA-N	505.593	1.238	0	40	KDAB	
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1	224330544	KFNDRKQIHFHVGX-UHFFFAOYSA-N	536.676	1.216	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1N1C(=O)CCC1=O	224365005	GXCQVZDQHASTGI-UHFFFAOYSA-N	539.588	1.179	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1N1C(=O)CCC1=O	224422442	LBXPYFIMUHKILX-UHFFFAOYSA-N	551.643	1.881	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2cc3ccccc3o2)C[C@@]2(COc3ccccc31)C[C@H](O)[C@H](O)C2	225446583	NUGDHLRFGRBTSF-KNDQPZNBSA-N	502.589	1.469	0	40	KDAB	
Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1	225478050	MSSSHSCZORRFFK-UHFFFAOYSA-N	529.084	1.985	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643572705	GAQHJLYOFMVBIM-QBUINJGOSA-N	653.777	1.948	0	40	KDAB	
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)CC(=O)N1C	643576474	KTHQWMITVCHDCK-DTXPUJKBSA-N	690.842	1.803	0	40	KDAB	
O=C(Nn1c(=O)c2cc3c(=O)n(NC(=O)c4cccnc4)c(=O)c3c(C(=O)c3ccc(Cl)cc3)c2c1=O)c1cccnc1	1850100	JSSQWKDFADAAIC-UHFFFAOYSA-N	594.927	1.355	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1	13139702	AUFLWGXWBWIQER-UHFFFAOYSA-N	508.405	1.592	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CC2)cc1	38145218	HNRQWXWTKUYJES-UHFFFAOYSA-N	537.660	1.561	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Br)c3C)[C@H]2SC1	97945315	POBGHJCKWKQXDA-MLGOLLRUSA-N	523.312	1.193	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100250319	BPDBXEVYPPWFPU-HYANYTLRSA-N	551.618	1.566	0	40	KDAB	
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3ncccn3)CC2)CC1	102920824	SWZJSFWIKJKRTR-UHFFFAOYSA-N	545.069	1.645	0	40	KDAB	
COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1	103055103	AEOWCEWBUXQQKT-UHFFFAOYSA-N	523.523	1.934	0	40	KDAB	
COCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	223311018	AOVWHFNAVWJRSN-UHFFFAOYSA-N	505.593	1.664	0	40	KDAB	
Cn1c(CCCC(=O)N2CCC3(CC2)C[C@H](n2cnc4c(N)nc(N)nc42)[C@@](C)(O)CO3)nc2ccccc21	257268168	MKNFIVKDGFFUJX-SIBVEZHUSA-N	533.637	1.974	0	40	KDAB	
COc1cc([C@@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2oc(C)cc(=O)c2O)ccc1O	524729569	YRBBLBISGQWIJT-MRXNPFEDSA-N	507.499	1.710	0	40	KDAB	biogenic
CN(C)CCOc1ccc(C(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2cnc4c(N)ncnc42)CO3)cc1	585283927	DGHDOYKYMACDEJ-CJFMBICVSA-N	509.611	1.736	0	40	KDAB	
CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)Cc2ccccc21	643554432	SQLNGELFEJRXLR-UHFFFAOYSA-N	527.691	1.954	0	40	KDAB	
CN(c1ccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1)S(=O)(=O)c1ccc2ccccc2c1	3248873	YFTCWBJJXOTRPV-UHFFFAOYSA-N	566.592	1.449	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1OC	70692020	YOCPCFLXSNTXKR-GPNHVJLWSA-N	526.977	1.504	0	40	KDAB	biogenic
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC	100277246	MYSXCORUXMABHX-YLJYHZDGSA-N	552.588	1.799	0	40	KDAB	
O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C(c1ccccn1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O	103770598	ABEVBFAQQDQHRZ-UHFFFAOYSA-N	525.521	1.470	0	40	KDAB	
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	245333837	BBLHYOJGXPTSMN-YQJHKJFNSA-N	568.671	1.862	0	40	KDAB	
Cc1nc2ccc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)CO4)cc2[nH]1	257307730	SZZZWDUAFZCWPX-KBMIEXCESA-N	521.578	1.006	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCN(C)C1=O	643566781	WFQFCFMTUXZQIG-XZOYJPPVSA-N	509.607	1.311	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(CC4CC4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548890182	NBGQTUNQBDJWNG-YADHBBJMSA-N	529.663	1.354	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@@H]3[C@@H](C[C@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]43C)[C@@]3(C)C[C@@H](C)[C@@H](O)C(C)(C)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O	1857787601	ODVSKBPWRRQPNN-VTOOUWKPSA-N	801.024	1.215	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@H]3SC2)s1	2730753	KEWFPRTVCZZPJJ-IUODEOHRSA-N	534.567	1.901	0	40	KDAB	
COC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)CC1	8918057	QEIGNBWTKVBBBG-QFIPXVFZSA-N	507.653	1.948	0	40	KDAB	biogenic
COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1=O	13041557	DGFWGRBACLQXOQ-UHFFFAOYSA-N	515.906	1.272	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1	20032562	VYEUYWCQWYWEMY-UHFFFAOYSA-N	505.574	1.839	0	40	KDAB	
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)c2ccccc21	25180710	AAFGQGUAUKKREU-NKFKGCMQSA-N	525.631	1.515	0	40	KDAB	
CSCC[C@H](NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN[C@H](CCSC)C(=O)O)cc2)cc1)C(=O)O	104358653	GMAYADLDIZTBDK-SZPZYZBQSA-N	626.779	1.988	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O	257455375	JLLVQPKAQVOYFS-RGZSJNNYSA-N	758.921	1.124	0	40	KDAB	biogenic,in-vitro
COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2c3c(c(OC)c4c2OCO4)CN(C)CC3)CC1	524731086	JTKQTPYYNBTYIG-UHFFFAOYSA-N	533.603	1.576	0	40	KDAB	biogenic
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(C)C)C(=O)NCCOc3ccccc3C(=O)N2)n1	643568269	NUQDQAJLLHOUFY-BRWNIOCJSA-N	678.812	1.772	0	40	KDAB	
Cn1c(=O)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(N)n(Cc2ccccc2)c1=O	3450298	CAYAIGGUCZJDFL-UHFFFAOYSA-N	532.022	1.020	0	40	KDAB	
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1[C@@H](NC(=O)NC2CCCCC2)CCN1C(=O)c1cnccn1	4201088	MFFAGYYXIDMYOH-ZDXQCDESSA-N	546.632	1.386	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Br)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4990507	ZKKFZJLKAPCULX-WVXKDWSHSA-N	530.324	1.262	0	40	KDAB	
COc1cc(C(=O)OCCCn2c(=O)c3c(ncn3CCCN(C)C)n(C)c2=O)cc(OC)c1OC	8740308	XPTMLGWHWQHKBA-UHFFFAOYSA-N	503.556	1.121	0	40	KDAB	biogenic
CS(=O)(=O)c1ccc(CN(Cc2ccc(S(C)(=O)=O)cc2)[C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)cc1	77263645	HMBQBGPDRQUSOK-SMIHKQSGSA-N	536.672	1.150	0	40	KDAB	biogenic,in-vitro
CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCC2	101170413	XUTMLUPUYFFEIL-DBVUQKKJSA-N	527.548	1.710	0	40	KDAB	
CCc1cc(Cc2cc(Cl)c(NC(=O)C(=O)[C@@H]3NC(=O)NC3=O)c(CC)c2)cc(Cl)c1NC(=O)C(=O)[C@@H]1NC(=O)NC1=O	150437230	WRTFESHREWUTSL-OALUTQOASA-N	631.429	1.140	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N[C@H]3C[C@@H](C(=O)NC[C@H]1O2)N(Cc1ccsc1)C3	514287700	ZOIDXTSDMOEJIA-ALFMLFBKSA-N	562.714	1.485	0	40	KDAB	
CN1Cc2cccc(c2)CN(C(=O)[C@@H]2CN(S(C)(=O)=O)CCO2)CCCOc2ccccc2C1=O	643557594	YFIUZZNEFFIPLV-QHCPKHFHSA-N	501.605	1.730	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572363	AOOODPJYVSOMDY-RZPFDVGOSA-N	600.761	1.100	0	40	KDAB	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	669679185	FNIRVWPHRMMRQI-QXFFMLRPSA-N	770.998	1.759	0	40	KDAB	
CSc1ncnc2c1ncn2[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	5665538	ZUKZORCLTQPHLY-MVZRVGDMSA-N	586.645	1.700	0	40	KDAB	
CC/C=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@@H]12)c1csc(N)n1	11616455	WVPAABNYMHNFJG-KFFYDOTJSA-N	567.646	1.358	0	40	KDAB	
O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	16044808	WXLBTHYLSXIETL-UHFFFAOYSA-N	510.985	1.773	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@@H](C(=O)O[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2c2cccs2)cc1	36245375	LJYLXPQLTRSJMR-YYFZDKIDSA-N	510.572	1.945	0	40	KDAB	
CCN(C(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982530	UMHPIKOOIKZFEZ-UHFFFAOYSA-N	524.559	1.292	0	40	KDAB	
CCC[C@@H]1C[C@@H](C(=O)N[C@@]2([C@@H](C)OC(C)=O)O[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)N(C)C1	100639952	DARVXQDVSMWTSV-CYYHFLSBSA-N	560.666	1.385	0	40	KDAB	
COC(=O)c1sc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(OC)cc2OC)c(C(=O)OC)c1C	103070275	FXQYUAHEMZKSJW-UHFFFAOYSA-N	544.560	1.107	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@](O)(C[C@H]32)[C@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@]1(O)[C@H]2OC	247968735	XTSVKUJYTUPYRJ-XKEZDHANSA-N	600.709	1.337	0	40	KDAB	biogenic,in-vitro
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C2CCOCC2)CC3=O)CC1	253407384	WFHYZROJHGUEEI-XTENPYMWSA-N	524.662	1.772	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643567356	ZOPBJBNZZIUYPA-NHTMILBNSA-N	536.629	1.439	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643567397	FPNBVTVDTDEQCP-MHLNXUHPSA-N	598.672	1.333	0	40	KDAB	
Nc1ncc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)s1	643577915	IGPFQUYGDFLERO-VQTJNVASSA-N	517.652	1.684	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Cl)nc4)CC3)nc21	2192563	AQEQAKFDBVLBEZ-UHFFFAOYSA-N	501.956	1.395	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C)c(Br)c4C)[C@H]3SC2)s1	2809483	FAJXDHVELXZOSA-CZUORRHYSA-N	559.493	1.953	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6546947	ZRCGNAYQFLDGHR-NRFANRHFSA-N	541.586	1.909	0	40	KDAB	
CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCC2	16020743	RYNCOXCQSCAITC-FCGIHXDESA-N	522.583	1.604	0	40	KDAB	
CCCn1c(N2CCN(CC(=O)Nc3c(C(=O)OC)[nH]c4ccc(C)cc34)CC2)nc2c1c(=O)[nH]c(=O)n2C	97949644	VUKOFAUXXDMYJZ-UHFFFAOYSA-N	536.593	1.170	0	40	KDAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)s1	224563472	HTNWSBQXVYYRLL-UHFFFAOYSA-N	511.003	1.879	0	40	KDAB	
O=C1NC[C@@]2(CCCN(CC(=O)N3CCC[C@@]4(CNC(=O)c5ccccc5O4)C3)C2)Oc2ccccc21	247797939	DKANJWMSQZTVQP-VSGBNLITSA-N	504.587	1.827	0	40	KDAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OCC	408591301	JMJSUGDZKXBXGE-WUXMJOGZSA-N	518.260	1.609	0	40	KDAB	
COC(=O)C[C@@H](C(=O)CSC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)OC	5664000	YMHKJZFTMARNGG-KRWDZBQOSA-N	514.599	1.872	0	40	KDAB	
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2=O)cc1	14086354	CQFMOXBQLDZKRU-HSZRJFAPSA-N	504.540	1.134	0	40	KDAB	
C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706021	OWQZZGXGDUVEJE-MGKKLRQFSA-N	558.591	1.151	0	40	KDAB	biogenic
CC(=O)OC[C@@H](COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)OCn1cnc2c(=O)[nH]c(N)nc21	72130065	MPEPPXVLNHJWMG-ROUUACIJSA-N	530.538	1.102	0	40	KDAB	in-vitro
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5c(C)noc5C)CC4)C3=O)ccc2c1	96021392	BIYNQKHQRPZLOA-AREMUKBSSA-N	555.613	1.753	0	40	KDAB	
Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1	100957070	JVUXYVWLRKQDDA-UHFFFAOYSA-N	542.447	1.652	0	40	KDAB	
CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCC2	101170415	XUTMLUPUYFFEIL-FFZOFVMBSA-N	527.548	1.710	0	40	KDAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1	102100760	FLUFEWXKLPHPIV-NRFANRHFSA-N	544.450	1.936	0	40	KDAB	
Cc1ccc(CN(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224345976	HPVBZSKJEIRXOS-UHFFFAOYSA-N	509.650	1.736	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O	224469082	DAODTSDLDAFISU-QFIPXVFZSA-N	525.649	1.447	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C)C(=O)O	253529821	WIKNHJPJHDNAME-AUIJKCJQSA-N	782.965	1.463	0	40	KDAB	biogenic,in-vitro
Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(S(=O)(=O)c3cc(C)c(C)cc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C	575424871	VLMUEQPUKCAXET-SWIJEOLNSA-N	630.832	1.564	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CC(=O)N[C@@H](CC(C)C)C1=O	643582810	YFOAEYJWEKOTTF-MXNKGDRCSA-N	516.639	1.583	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C	1903846527	MMTWXUQMLQGAPC-FZVWQKJDSA-N	740.928	1.442	0	40	KDAB	
COCCCN(C(=O)COc1ccc2ccc(=O)oc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12638885	OOGIRVHZACTXFE-UHFFFAOYSA-N	506.515	1.722	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1	13015936	WYNHSOWYCKREME-MRXNPFEDSA-N	500.668	1.640	0	40	KDAB	
CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1)c1ccccc1	32999704	QIWUHOVOPBVIKU-QHCPKHFHSA-N	529.663	1.665	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1	59838716	FFWTZFUNRYVQGP-FQEVSTJZSA-N	567.686	1.442	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876719	HQQMZOBMZCGREA-UFFQQSBUSA-N	580.710	1.931	0	40	KDAB	
CCN(C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	102912200	JQMWFIZSKMIOFX-SANMLTNESA-N	535.582	1.692	0	40	KDAB	
NCCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@H]1O	253531134	FYZDYCPLLSEHER-NBBGBEJASA-N	545.541	1.120	0	40	KDAB	biogenic
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN(C)Cc2ccc(F)cc2)CCCCOC[C@@H](O)[C@H]1O	643551773	MQCSRLAGQJTYKM-QALYSUAOSA-N	539.689	1.897	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)CN(C)C1=O	643568716	DYBUEGURZIICJV-BHRZLAGCSA-N	662.788	1.500	0	40	KDAB	
COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)cnc32)cc1	1330825	CXQHWRMGNXUISJ-UHFFFAOYSA-N	524.559	1.250	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1OC	8448687	BCGFTYIHEMNDGI-SSUIOBEFSA-N	522.579	1.567	0	40	KDAB	
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	97947590	ZAUSOJZBZXWUJX-KWJZBXMYSA-N	543.623	1.977	0	40	KDAB	
COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(=O)CO)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O	123278493	UHXRPNKSNMPJSI-ZLPMPBOZSA-N	524.651	1.573	0	40	KDAB	
COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	223400332	MYLDSCYMXBHWFQ-UHFFFAOYSA-N	511.622	1.425	0	40	KDAB	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@@]5(O)[C@@H](OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	252694407	KDOHXSPHEMVVCM-SJANNHSASA-N	677.788	1.469	0	40	KDAB	biogenic
CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC	253598315	HYTGGNIMZXFORS-BSBAGYRQSA-N	793.948	1.607	0	40	KDAB	biogenic
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643564446	NVCUWLRXCRVXEM-NSXLHWASSA-N	509.607	1.357	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643565698	HXCSOKVRXUDIIJ-DQEYMECFSA-N	546.599	1.909	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)NC3(CCCC3)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)CC1	643578798	SEVPBTUYHCEDAK-BJKOFHAPSA-N	571.719	1.318	0	40	KDAB	
CCCN(CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@H]1CC(C)C)C[C@H]1CCCO1	643586674	MZSRZTFPWGSDCD-RDVFURSVSA-N	543.746	1.516	0	40	KDAB	
CC(C)[C@@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O	2037879528	BOZDVFZGBRNODM-BZDYGPBWSA-N	505.999	1.993	0	40	KDAB	
CC1=C(C[C@H]2C(=O)N(c3ccccc3)S(=O)(=O)N[C@@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	5810619	QGIHEFHWYZSHNW-DNVCBOLYSA-N	504.590	1.760	0	40	KDAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1	59647081	MLLQPXNMYIRHGO-UHFFFAOYSA-N	532.438	1.875	0	40	KDAB	
COc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc(OC)c1OC	102871385	LJWGXVBBFPFSQN-VWLOTQADSA-N	546.602	1.903	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	150424141	SLDSTTJLCDCSLO-UHFFFAOYSA-N	674.754	1.763	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC	224303697	LANVGTIFGOBGAZ-UHFFFAOYSA-N	555.675	1.983	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1O	253504172	AYWNHWGQTMCQIV-DGDOAPGTSA-N	827.018	1.295	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@@H]1/C=C/CCNC(=O)/C=C/[C@@H](C(C)C)NC1=O	257382277	AXZPAGVFIVOODG-ITZMMEGMSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1	257585845	VXVGFMUNENQGFW-ZZMORVCXSA-N	756.857	1.543	0	40	KDAB	biogenic,in-vitro
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@@]1(C)O	306122634	XCLJRCAJSCMIND-FIIHMZSISA-N	734.969	1.544	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C)c(C)c2)cc1C	575425153	YOLYUZWMFYKRPL-FCHUYYIVSA-N	530.690	1.047	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	585274188	TYBICGINYJEHJA-SANMLTNESA-N	500.571	1.704	0	40	KDAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643567062	QPNCBLNBDYFADO-MQFRRQCYSA-N	528.650	1.727	0	40	KDAB	
Cc1cc(=O)oc2cc(N(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)[C@@H](CCCNC(=N)N)C(N)=O)ccc12	1857524017	JIXHMIVMVLVZSQ-SFTDATJTSA-N	601.705	1.607	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1	15956946	UBWNUSPDYLRFSV-GSONXBCMSA-N	510.934	1.626	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC	20030831	QPILDVCGHOURDP-UHFFFAOYSA-N	525.649	1.815	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl	20031949	YPWKDGFXKYFQER-HNNXBMFYSA-N	502.014	1.713	0	40	KDAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCCO2	30756585	JXEMIERTQJHZDD-UHFFFAOYSA-N	519.561	1.453	0	40	KDAB	
COc1ccccc1N1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CN(Cc2ccccn2)Cc2ccccn2)CC1	67890398	AGKSEVBAWCMJKE-GIFPIDKJSA-N	519.646	1.799	0	40	KDAB	biogenic,in-vitro
CN1C(=O)/C(=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)c2ccccc21	97949574	SVXIMYXNJTVBOR-AACVRSMJSA-N	536.617	1.965	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1	222752756	CJFVWZGZDPHIIJ-UHFFFAOYSA-N	509.650	1.889	0	40	KDAB	
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)OCC)CC3)c2)CC1	645212	ZFQMBUHUPTZZQW-UHFFFAOYSA-N	530.665	1.923	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N[C@@H]1CCCc3ccccc31)c(=O)n2Cc1ccccc1	3405298	IFMFPUKGQOMPHC-HSZRJFAPSA-N	545.596	1.791	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3978072	VJJPUSNTGOMMGY-SMQFAUSTSA-N	588.562	1.339	0	40	KDAB	in-vitro
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6547184	JAPDOPPAWSTUNO-SFHVURJKSA-N	517.589	1.962	0	40	KDAB	
O=C1c2ccccc2C(=O)N1C[C@H](O)COc1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1	13602393	BQAAKMXRAKNJDO-HDICACEKSA-N	516.506	1.758	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1	14084141	BMZJWYUCMHKFIT-UHFFFAOYSA-N	521.617	1.550	0	40	KDAB	
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)[nH]c2c1	20616754	YRDODBPFGLLTGP-UHFFFAOYSA-N	516.576	1.043	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C	32911030	NHIKPSCRZQKVBK-FYYLOGMGSA-N	519.595	1.458	0	40	KDAB	
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	38139869	HDKGELKPZUMECN-UHFFFAOYSA-N	534.513	1.452	0	40	KDAB	
C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	102777957	SONJGXYRQUTSGZ-KFKAGJAMSA-N	526.011	1.280	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl	222833426	OWOMRMULUSFQJJ-UHFFFAOYSA-N	532.040	1.937	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	224272085	LOIBFDJCARDWLF-UHFFFAOYSA-N	513.613	1.672	0	40	KDAB	
Cc1cn([C@@H]2C[C@H]3O[Sn](c4ccccc4)(c4ccccc4)OC[C@H]3O2)c(O)nc1=O	263610745	WLKSICXUAYZMDK-SOLQNPEVSA-N	513.138	1.217	0	40	KDAB	
COc1ccc(S(=O)(=O)CC(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1	643564096	HDKDJVFALQWRCJ-IBGZPJMESA-N	523.652	1.289	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643564771	FHHXEKLAFUHMKJ-LEWJYISDSA-N	503.644	1.063	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	2061000874	TUFDSEMWRYIOBO-QLXVRJTBSA-N	799.008	1.328	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1cccc(OC)c1	989082	XSLKIPUMCHKLFF-QRRJMBGHSA-N	522.579	1.567	0	40	KDAB	
O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc4c(c3)OCO4)CO[C@H]12)c1ccc2ccccc2c1	4270586	GWLWZZCPCHNNPQ-BZRIBIQUSA-N	507.528	1.908	0	40	KDAB	biogenic,in-vitro
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)CC2)cc1	12890289	HGBBQKDZHRUPCZ-RUZDIDTESA-N	512.588	1.498	0	40	KDAB	
CCOC(=O)C1=C(N)C(C(=O)OCC)=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccccc1OC	101671048	ROMGKUBPQFBHOA-NAENUDGNSA-N	536.606	1.849	0	40	KDAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	102099270	QSLDVYOLXVLPKV-BJKOFHAPSA-N	554.600	1.965	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C[C@H](NC(N)=O)c1ccccc1Cl	103122158	MYPOCBQKDHQPSP-SFHVURJKSA-N	555.009	1.651	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	103558159	IEPCYJLTAGEWNI-KFYVVVJXSA-N	602.589	1.642	0	40	KDAB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1	224482947	WXXXFQWBSQQZHG-UHFFFAOYSA-N	587.120	1.106	0	40	KDAB	
CC(C)Oc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224483493	VJHVORDLDMTXQK-UHFFFAOYSA-N	555.675	1.456	0	40	KDAB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@@]56OC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)C[C@@H]5O[C@H](O)[C@H]6O	253394136	AJNHZNGIYWGSEM-QBTMEOLISA-N	542.581	1.404	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	257199284	YFGQJKBUXPKSAW-PUDUJNEQSA-N	969.128	1.642	0	40	KDAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409118449	QFGSZUACUNKQQL-SADKCHQCSA-N	503.536	1.874	0	40	KDAB	
Cc1cc(C)nc(SCCCn2c(N3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1	9969652	GUOSZJMMFXFIGR-UHFFFAOYSA-N	524.607	1.568	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1	13113514	AWGNLUFXRCIRFN-UHFFFAOYSA-N	513.620	1.828	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	30860654	CMPOSNUZVIVESR-UHFFFAOYSA-N	511.622	1.796	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O	70664668	XPPVPEBAMOGLNL-PWRODBHTSA-N	636.699	1.455	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575200	VOEBONRNAWTOGV-PJKILVJMSA-N	564.617	1.451	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccc(Cl)cc2)n1C	101575211	ZUHNIJKKUNIBLE-LKZJFHPWSA-N	585.035	1.796	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(CO)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389509	NOKUIKNJHIHLGT-GXHKVUNYSA-N	913.108	1.344	0	40	KDAB	biogenic,in-vitro
COC(=O)COc1cccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)c1	524729840	LOWLTDCVIGIUSV-ZWCUEREDSA-N	549.580	1.686	0	40	KDAB	biogenic
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CO)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582518	FTFNQXGFIXKVJD-RPBOFIJWSA-N	550.656	1.374	0	40	KDAB	
Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)n(C)c(=O)n5C)C3=O)ccc21	9038912	ZUMNFKLQONQOQV-VXLYETTFSA-N	506.544	1.742	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC	20005590	BDYSLSOEQPSQMU-HXUWFJFHSA-N	519.601	1.880	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)N1CCOCC1	60028273	SPZLARNIWGSKRU-UHFFFAOYSA-N	533.588	1.559	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(CO)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389508	NOKUIKNJHIHLGT-DMDREVEMSA-N	913.108	1.344	0	40	KDAB	biogenic,in-vitro
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	253617069	FPSVPAKQFLQRFE-BSRCOPMASA-N	752.675	1.257	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccccc1OC	408861464	AXIBPYLKCBUXRI-XOYGFPHKSA-N	518.595	1.997	0	40	KDAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224033918	HUZIQKURNCOZII-KRWDZBQOSA-N	505.593	1.786	0	40	KDAB	
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)[C@@H](O)[C@@H]1O	257328584	XGHUOBNJPQYLBM-DEPWHIHDSA-N	512.567	1.444	0	40	KDAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)CCOc3ccccc3C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643569856	FCVPYYSSKJQNKI-SANMLTNESA-N	609.724	1.406	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@@H]3SC2)s1	2732763	ZSZSAKWJVDKMID-LRDDRELGSA-N	516.577	1.820	0	40	KDAB	
CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCCN1CCOCC1	6198451	IOEJRNVQUIMANA-UHFFFAOYSA-N	503.669	1.650	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	6511870	YAQKKPAGOYYBGW-QXQSRQBGSA-N	596.630	1.229	0	40	KDAB	
COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O	16974521	XFWUQWYAXSDIOW-UHFFFAOYSA-N	508.531	1.453	0	40	KDAB	
Cc1oc2cc(OCC(=O)N[C@H](CCCNC(=N)N)C(=O)O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	61991189	WQAZKJPNBIDRNL-GOSISDBHSA-N	524.530	1.751	0	40	KDAB	biogenic
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1n1nc(-c2ccccc2)oc1=S	102491124	LTFACHGUFVRXCD-KKKDIUQISA-N	507.521	1.701	0	40	KDAB	
COCC(=O)Nc1c(I)c(C(=O)NC[C@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)N(C)C[C@@H](COC(C)=O)OC(C)=O)c1I	150351029	VJZHCBDXXCGMJR-SJORKVTESA-N	959.263	1.877	0	40	KDAB	in-vitro
CC(C)=CC[C@H](O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	253534341	UKJMISFXPQGTPF-LLXRIIAISA-N	666.849	1.366	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCNC1=O	643564351	FGJOJLAYVSTGOI-IDOVBLGQSA-N	577.682	1.653	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@H]1O[C@@H](OC2CCCCC2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339412	IMCJHVQTBGINBO-WKOLOUIMSA-N	502.513	1.351	0	40	KDAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	15958682	CYEDUMLTSBWXIT-UJAPCULTSA-N	510.934	1.764	0	40	KDAB	biogenic
CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1	32958319	PIMNCAKGRWGOQH-UHFFFAOYSA-N	532.663	1.969	0	40	KDAB	
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1OC	97980948	URGZLJZNKGFZQN-FNORWQNLSA-N	526.589	1.932	0	40	KDAB	
CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	103507108	BAGALEQQJQOATL-KYHHALJESA-N	578.644	1.934	0	40	KDAB	
CCOc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224487668	WZEITEXQWVFHPB-UHFFFAOYSA-N	569.702	1.848	0	40	KDAB	
CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(Br)cc5)nc43)[C@@H]2O1	226480452	PELIPSXWAUNANX-GCUGWZBJSA-N	536.339	1.309	0	40	KDAB	
CCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)CCCC(=O)C[C@@H](O)[C@H](CC)C(=O)O1	263603195	NFPGARBTLUEZRE-GHHWSFJASA-N	767.910	1.545	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643566303	WOERQIZUEZURJP-GOTSBHOMSA-N	529.682	1.549	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	2060993781	VNONINPVFQTJOC-CSNVPNJHSA-N	869.055	1.242	0	40	KDAB	
O=C(COC(=O)CNS(=O)(=O)c1cccc(Br)c1)NC(=O)Nc1ccc2c(c1)OCCO2	3431752	FIOZMKJPWNSNMW-UHFFFAOYSA-N	528.337	1.390	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(c2ccccc2)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)C1OC(C)=O	4403230	AVGQXSYFSKVNNV-FUVXSWLDSA-N	510.492	1.391	0	40	KDAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c1=O	13010074	VTCWYLBKAXUUEM-UHFFFAOYSA-N	535.667	1.941	0	40	KDAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940681	PUPRGENMJBERRN-XXBNENTESA-N	519.562	1.843	0	40	KDAB	
C[C@@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C1=O	97982566	SCNGOWAWVIXLIM-VWLOTQADSA-N	535.538	1.284	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	260860694	QUULYDJOTJCGCU-QGZVFWFLSA-N	505.593	1.786	0	40	KDAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)c1cnccn1)CC2=O)N1CCOCC1	958317804	OSGUUTJGKAOKGW-VXKWHMMOSA-N	519.602	1.781	0	40	KDAB	
CC(C)CCN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891161	YHASHHDRLAXFMG-PKTZIBPZSA-N	545.706	1.990	0	40	KDAB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	6141971	RSSSQWWAKCZRDG-LBPRGKRZSA-N	565.402	1.658	0	40	KDAB	
NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	16009950	JZNCEZGBNNZBDQ-RJESQKRESA-N	500.486	1.798	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O	32957701	LADWAATYJWUWMC-OYLFLEFRSA-N	506.604	1.035	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N[C@H](C)CNC(=O)C2)cc1	68606313	YQZLDCWWBXEFQZ-HXUWFJFHSA-N	536.676	1.010	0	40	KDAB	
O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCN(c2ncccn2)CC1	103050418	BPNXYFFWBACNGE-UHFFFAOYSA-N	536.596	1.595	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222934064	SKOPBYSUNATTKB-OFVILXPXSA-N	575.684	1.807	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)N2CCc3ccccc3CC2)NC(=O)c2ccccc2OCCN(C)C1=O	643566456	YLTWNQDIPYRKJE-OZXSUGGESA-N	520.630	1.794	0	40	KDAB	
O=C(O)CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4cccc(N5CCOCC5)c4)CO[C@H]23)CCCC1	4147913	FZYJHDGASWHOSH-UWXQAFAOSA-N	542.593	1.551	0	40	KDAB	biogenic,in-vitro
COc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	22933434	ILXDGILHYFITLD-UHFFFAOYSA-N	504.653	1.961	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3c(Br)c(C(F)(F)F)nn3C)[C@H]2SC1	33356847	KXYQZNHPBBGJLK-XLKFXECMSA-N	527.275	1.117	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O	44280387	GNBHVMBELHWUIF-BKWLFHPQSA-N	593.766	1.316	0	40	KDAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@@H](C)N(c2cc(S(=O)(=O)N(C)C)ccc2C)C(=O)[C@@H]1C	102846830	KYBKAGMGJFUKHU-HDICACEKSA-N	536.676	1.961	0	40	KDAB	
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	253389470	MLRZPRGBFKQPOT-MYPQPDBNSA-N	940.134	1.099	0	40	KDAB	biogenic,in-vitro
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2	253398765	HKINFEKAFQPZFW-PJGWKRMOSA-N	556.685	1.652	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c(=O)n(C)c1=O	3335708	HUKNVTHMAFINBD-UHFFFAOYSA-N	540.476	1.526	0	40	KDAB	
COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1OC	6239381	FREMXPOEOKKLSQ-UHFFFAOYSA-N	547.722	1.666	0	40	KDAB	
CCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC	20033285	VDJWYRLCARTBBL-UHFFFAOYSA-N	511.622	1.334	0	40	KDAB	
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	67910876	KSENPDOZJGRJHR-PBBNIXMCSA-N	722.869	1.548	0	40	KDAB	biogenic,in-vitro
COc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)c1	70705744	SQAOLRBNCHCBJD-OEMFJLHTSA-N	538.626	1.654	0	40	KDAB	biogenic
CC(=O)N[C@@H]1[C@@H](Oc2ccc(I)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97986741	BACZETLXMXQASX-OMZCGLGVSA-N	549.314	1.326	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C/C=C\[C@H]([C@@H](C)O)OC[C@H](O)[C@H](C)CC(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	103942368	PYYBXMVTBWYBDY-ICXRTZECSA-N	548.629	1.364	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](O)C[C@@H](OC(C)=O)C[C@]1(O)CC[C@@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O	118931969	KESMJXVKHKQATP-RQZCOWDSSA-N	564.628	1.346	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224307853	XBHVECZLXSEVEX-GOSISDBHSA-N	553.659	1.592	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O	224471791	OMBUQJGNQPLCSO-UHFFFAOYSA-N	532.040	1.770	0	40	KDAB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C\CC[C@@]5([C@H](C)O)OCC[C@@]6(O[C@@H]6C(=O)OC[C@]2(CC1)[C@@]4(C)[C@]31CO1)[C@@H]5O	253401519	NCIFOYWXXVLKQO-ZYJMQLENSA-N	546.613	1.503	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	257199285	YFGQJKBUXPKSAW-WGOZSYFFSA-N	969.128	1.642	0	40	KDAB	
COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1O	524730843	ZGIUXHIKUDXKPU-AYBZRNKSSA-N	507.543	1.848	0	40	KDAB	biogenic
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	1534685669	QRMBKHABIJSKEI-BVKDZYFWSA-N	815.007	1.071	0	40	KDAB	
Cc1cc(=O)oc2cc(OCC(=O)N(CCCO)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ccc12	2625642	GUWAICCAWIXCAS-UHFFFAOYSA-N	506.515	1.376	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	9334843	TTXZTBRDTQEXGN-YSSFQJQWSA-N	512.588	1.301	0	40	KDAB	biogenic
O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NCCCN1CCOCC1)OCCO3	19940535	HXROPDAYSIIPAX-UHFFFAOYSA-N	531.679	1.030	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)c(C)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O	70670145	FFFOTTKAGAJIFY-PYOVJYMUSA-N	527.526	1.252	0	40	KDAB	biogenic
CCCCC[C@H](O)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	253388197	VVUAHGLHHLVKDR-ZSHNATHYSA-N	740.925	1.314	0	40	KDAB	biogenic,in-vitro
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1)S(C)(=O)=O	260716924	HAQUIKYJCDSNLI-DHIUTWEWSA-N	505.612	1.952	0	40	KDAB	
O=C(CCc1cccs1)N1CCCOc2ccccc2CCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	1615156228	MGUKUTOWBQEVPA-SAZLYLDSSA-N	507.649	1.775	0	40	KDAB	
OCC(CO)(CO)NC[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	10384381	UJSNIDQFMLKDBK-CQSZACIVSA-N	502.203	1.986	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c(C)c1	95567500	VMWJLVKFZAUINV-UHFFFAOYSA-N	530.024	1.294	0	40	KDAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	225877704	OCVSHYCXWHLIHU-NRFANRHFSA-N	541.648	1.908	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4c(C)noc4C)C[C@H]3C(=O)NC[C@H]1O2	253404248	QWJUNKUJQRZJEM-FKIWKMFDSA-N	539.633	1.569	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@]12C	254194450	YURJSTAIMNSZAE-IIXDGAIHSA-N	801.024	1.120	0	40	KDAB	endogenous,in-man
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1	13564872	KKJAHQZIIYTDJC-QFIPXVFZSA-N	507.595	1.463	0	40	KDAB	
CCOc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OCC)cc1-n1cnnn1	20097902	CHSDJNWHHLXSGP-UHFFFAOYSA-N	516.580	1.695	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)NC(=O)N[C@H]1c1ccco1	24002586	SICYZWFFARLOCV-FQEVSTJZSA-N	519.532	1.329	0	40	KDAB	
CCOC(=O)/C=C1/SCC(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	33480284	GWNNBWBORXTTBN-HYARGMPZSA-N	503.602	1.653	0	40	KDAB	
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1=O	102850419	MXXQWNRCSDVPKS-AREMUKBSSA-N	542.614	1.588	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccnc1	103634477	MZGIALHUGWOBJV-UKQGIEBLSA-N	546.630	1.599	0	40	KDAB	
Cc1cn([C@@H]2CO[C@H](CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)[C@H]3OC(C)(C)O[C@H]32)c(=O)nc1O	1615124184	VPSCKCGIFLFUPU-QEWHTSGOSA-N	516.526	1.026	0	40	KDAB	
COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)N(CC(=O)OCc3ccccc3)c3ccccc32)C(C(=O)OC)=C(N)O1	1868873	RSNMVGZSWIEGJO-MUUNZHRXSA-N	550.520	1.378	0	40	KDAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC	17433742	XQUFWLDQKXRJBP-HSZRJFAPSA-N	546.646	1.679	0	40	KDAB	
CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1	19824474	FKXSGBAIEVDNJH-UHFFFAOYSA-N	517.696	1.658	0	40	KDAB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1S(=O)(=O)N1CCOCC1	38756519	BLJKUDLSFCUOKF-UHFFFAOYSA-N	517.589	1.859	0	40	KDAB	
NCc1ccc(-c2cc3c(c(S(=O)(=O)Nc4ccsc4C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2)OCC3)cc1	205101032	SEXUXSMBJLNXIR-FQEVSTJZSA-N	586.696	1.846	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	224350090	AXCXFSUHPXGBCP-UHFFFAOYSA-N	523.633	1.301	0	40	KDAB	
COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)N2CCN(C)CC2)cc1	20080679	SKKPYIDQKRKDHI-XMMPIXPASA-N	505.579	1.926	0	40	KDAB	
C=CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)N[C@H]4[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@@H]3[C@H](O)C[C@@H]2C1	169712130	IINOCRWBKCMWPD-LYTMRQHPSA-N	623.784	1.017	0	40	KDAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222780954	KAIWVEUNUCNXNL-QFIPXVFZSA-N	609.145	1.605	0	40	KDAB	
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	224472112	DRZRVNAMJLOCHR-UHFFFAOYSA-N	565.714	1.753	0	40	KDAB	
CC(C)(C)OC(=O)NCCOc1ccc(C(=O)N[C@@H]2CC[C@H](O)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)cc1	257282759	OVEMDKMHPORHNP-PIKOESSRSA-N	527.582	1.167	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CO)C(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643569350	DILNTEXLFMTKSH-MHZHKKNFSA-N	632.714	1.708	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)COc3ccccc3C(=O)N2)cc1OC	643573775	WFOIZTHMJDWPRT-DNYKVHSOSA-N	584.670	1.094	0	40	KDAB	
COC(=O)c1ccc(S(=O)(=O)NCCSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1	6879054	NNKICUFUQWDQMI-UHFFFAOYSA-N	568.655	1.615	0	40	KDAB	
COc1ccc(OC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	35183250	ZLUXQKPMUHNNTK-NXNFSMPISA-N	513.521	1.032	0	40	KDAB	
CC(=O)O[C@H]([C@@H]1C[C@H](C)C(=O)O1)[C@@H](C)[C@@H]1[C@@H]2[C@]3(O)O[C@@]4(CC[C@@]21C)[C@H](O)[C@]12OC(=O)C[C@H]1OC(C)(C)[C@@H]2CC[C@H]4C3=O	96023630	XVOAOTAZULSEBL-LQHYWRJOSA-N	590.666	1.829	0	40	KDAB	biogenic
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	103012490	KOHRSPITWOPBEG-BHWIVQFVSA-N	553.413	1.647	0	40	KDAB	
O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@@H](O)[C@@H](O)[C@H]1O	5707340	PLORCKNHUZJPKH-UQQYJKIDSA-N	580.542	1.953	0	40	KDAB	
COC(=O)c1sc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)nc1C	6300177	PNFGWQKQNPAHCE-UHFFFAOYSA-N	532.579	1.903	0	40	KDAB	
COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)N2CCCCC2)cc1OC	55104311	VNZLBBGVKDHATI-NRFANRHFSA-N	516.620	1.760	0	40	KDAB	
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1C(=O)C1CCCCC1	67902396	DRTFXAXCCJNSGS-JWQCQUIFSA-N	536.677	1.300	0	40	KDAB	biogenic,in-vitro
C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)C1	101462095	XJKSWFUCQUNESH-MKXGPGLRSA-N	594.721	1.215	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)CC2)cc1	216323046	RPVRGDZYXTVAIT-UHFFFAOYSA-N	508.666	1.758	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O	245266175	JAFHRXBUMPKHBC-XQPJFTJZSA-N	520.318	1.806	0	40	KDAB	
COc1ccc(OC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	254556983	ZLUXQKPMUHNNTK-VIYGXFRKSA-N	513.521	1.032	0	40	KDAB	
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	299817840	WVXIMWMLKSCVTD-JOOWWAQHSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
Nc1nccnc1C(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578162	OQOTZXYSUGWITC-LEWJYISDSA-N	512.611	1.017	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C	1903846528	MMTWXUQMLQGAPC-JIDUIZLOSA-N	740.928	1.442	0	40	KDAB	
Cn1cccc1C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O	4200982	YCCJFLXUAOASTM-XJUOHMSHSA-N	538.555	1.921	0	40	KDAB	biogenic,in-vitro
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCN2CCOCC2)cc1	38152818	ITZXPXWRCUFQHJ-PLRJNAJWSA-N	569.684	1.914	0	40	KDAB	
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Br)cc2)CC1	96306530	HRGSSSOAKFAPPQ-UHFFFAOYSA-N	519.400	1.519	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224307431	URHBLMPYPUIXAY-UHFFFAOYSA-N	553.659	1.309	0	40	KDAB	
COC(=O)c1cc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc(C(=O)OC)c1	408588956	DFNYOMLJKGIUOZ-HNNXBMFYSA-N	506.533	1.687	0	40	KDAB	
Cc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	12462404	HPLDDCNXMMPUNQ-UHFFFAOYSA-N	512.983	1.681	0	40	KDAB	
CCN(C(=O)COC(=O)CCCOc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666512	RJDLJDOXBFYVME-UHFFFAOYSA-N	510.547	1.931	0	40	KDAB	
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c2)CC1	32967112	CIXPXJUCIOBRRL-KRWDZBQOSA-N	506.090	1.952	0	40	KDAB	
NCCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O	70665872	FYZDYCPLLSEHER-FHEOWYEKSA-N	545.541	1.120	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	97985348	WAEKSZJQJUDRCQ-KFEALIJWSA-N	565.553	1.736	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccc(S(C)(=O)=O)cc5)CCN4C3=O)O2)cn1	253396883	FDDACASJJNCPHR-CGQUYWBPSA-N	637.759	1.624	0	40	KDAB	
COc1ccc(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(OC)cc3OC)cc2)c(OC)c1	575424991	DEZOFRHEYUFNSD-VXKWHMMOSA-N	642.730	1.875	0	40	KDAB	
O=C(/C=C/c1ccccc1F)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643551776	MTSKVPDJVUFVHU-MMPKZRBQSA-N	518.557	1.842	0	40	KDAB	
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H](O)[C@H]1O	5922869	IPSYPUKKXMNCNQ-ZOPJHEKZSA-N	544.737	1.062	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	6547142	YOCFUDDPPMHRKC-FQEVSTJZSA-N	545.574	1.810	0	40	KDAB	
COCCN(C(=O)CSc1nnc(C2CCCCC2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13098349	NENQMONPDHYTDE-UHFFFAOYSA-N	528.639	1.292	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc3ccccc3n2)c(N)n(Cc2ccccc2)c1=O	13115442	UIFFRGLZVYQRNZ-UHFFFAOYSA-N	502.483	1.401	0	40	KDAB	
CC(C)CN(C(=O)CSc1nnc(-c2ccco2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666518	AVQDJVPPENWAHE-UHFFFAOYSA-N	510.580	1.514	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	38140424	HMZVMSWHVBLXNF-UHFFFAOYSA-N	530.024	1.634	0	40	KDAB	
COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)nc1N	71771973	GAJAZHKCIXWNFB-UHFFFAOYSA-N	515.979	1.972	0	40	KDAB	
C[C@@H]1CCOC(=O)/C=C\C=C\C(=O)O[C@@H]2C[C@H]3O[C@H]4[C@H]5O[C@]5(C)CC[C@@]4(COC(=O)[C@@H]1O)[C@@]2(C)[C@@]31CO1	100623159	CLNDGDZYSDRNSO-XCGPAFOOSA-N	518.559	1.382	0	40	KDAB	
O=C1C(=O)N(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(Br)cc21	101090789	WCYOMSRKURJAMU-NRFANRHFSA-N	540.418	1.475	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	224406772	QJCRQRILCUUDMK-UHFFFAOYSA-N	537.660	1.691	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](OC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253535146	PEDLHTCZTNWMIO-UZNZECQCSA-N	945.877	1.615	0	40	KDAB	
COc1ccc(CCn2c(=O)[nH]c(O)c([C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2=O)cc1OC	2129527	DXCSGVNHONLCGK-OAQYLSRUSA-N	511.531	1.817	0	40	KDAB	biogenic
Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O	8901837	MDAUKDFXVYQRIR-CQSZACIVSA-N	520.409	1.844	0	40	KDAB	
COCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2ccccc21	103130153	HHHIUJFMIOTPDH-UHFFFAOYSA-N	537.598	1.785	0	40	KDAB	
CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	150399484	JOURHOHBSOYHNQ-XUAMWYSOSA-N	788.947	1.276	0	40	KDAB	
CCC1(CC)C(=O)NC(=O)N([Sn](C)(C)N2C(=O)NC(=O)C(CC)(CC)C2=O)C1=O	195904885	CEHDUEJSPKAHEL-UHFFFAOYSA-L	515.155	1.458	0	40	KDAB	
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	217636160	DJEGDWJOWDTDTF-JQVVWYNYSA-N	506.559	1.425	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)CC2)cc1	223758658	LXNBWNBXAXJUNR-UHFFFAOYSA-N	507.619	1.794	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F	224396071	SLHNRGGGROTRJV-UHFFFAOYSA-N	542.655	1.808	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(C(=O)O)cc4)C[C@H]3C(=O)NC[C@H]1O2	253395509	BYXACODEKZJTLL-CFJXPYFLSA-N	594.665	1.289	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569265	QWKGWRFLPMWKEY-WIOPSUGQSA-N	542.608	1.891	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582497	CRRMJZQYNAQDTM-WIVXBSKCSA-N	550.656	1.779	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@@H]([C@@H](C)CC)N(C)C1=O	1086455177	AIPPDKJKKDOWTJ-GUSVBVSPSA-N	621.820	1.952	0	40	KDAB	biogenic
CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12	8918289	ACEFRWYFDOKEAJ-PPHZAIPVSA-N	513.591	1.510	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	20462276	JQRBTPHFFSDHKO-UHFFFAOYSA-N	515.610	1.804	0	40	KDAB	
CN1C[C@@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	57681183	XCGSFFUVFURLIX-GWOROFTFSA-N	581.673	1.991	0	40	KDAB	in-vitro
CC(C)CN(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982458	UGLNMOXHOQQDDD-UHFFFAOYSA-N	532.557	1.109	0	40	KDAB	
CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1	100183871	RRJNQJFFIFMPAE-VIOKTNGOSA-N	529.571	1.467	0	40	KDAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222863326	COWADIHUAXBBBY-NRFANRHFSA-N	534.654	1.453	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](C)O)C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C	252679622	PGRWPWIGJLNDHN-SZBPQHIQSA-N	758.907	1.082	0	40	KDAB	biogenic,in-vitro
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@H]3C(=O)NC[C@H]1O2	253408078	XCMGUWKVNXDHNP-FEVSWUGISA-N	528.650	1.333	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC1=O	643565266	FJKSDQREQJQNLK-XUZZJYLKSA-N	515.655	1.207	0	40	KDAB	
CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1ccco1	643913120	GOPITYYXWOVRLI-CXTNQITHSA-N	625.789	1.916	0	40	KDAB	
CCCN1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890528	RTCCMJGXZJPSAU-YADHBBJMSA-N	521.680	1.848	0	40	KDAB	
CSCC[C@@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)O	4544732	RDQXFDPVOCUTTL-FGTMMUONSA-N	563.458	1.802	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	33926637	UXRGMYFQEBYUQU-HCSYDALLSA-N	505.476	1.136	0	40	KDAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C(=O)O)ccc2C)cc1	575426251	PPRJHTKJWRMUFF-FGZHOGPDSA-N	638.698	1.854	0	40	KDAB	
CCOc1cc(CNC[C@]2(O)CCCN(c3cc(NC)ncn3)C2)ccc1OCCN1CCOCC1	585273647	QZZHEOKSYYEUFQ-AREMUKBSSA-N	500.644	1.749	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	1775963858	GZQBLGGHXGVJRY-JDNQOZLYSA-N	530.618	1.945	0	40	KDAB	biogenic,in-vitro
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(C(=O)OC)ccc21	100872419	YWDKGGNRTIGGFN-VHXPQNKSSA-N	519.601	1.898	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	224347754	CDYGFURIODXVLQ-UHFFFAOYSA-N	541.648	1.304	0	40	KDAB	
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](O)[C@@H]1O	257320642	VXSGDGYYVKUENC-HNBVOPMISA-N	511.583	1.748	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(OC)ccc3OC)cc2)c1	575422814	OJKMLTNMILSYOJ-FCHUYYIVSA-N	642.730	1.875	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643572341	AHLOMPOTHXTUSL-ALYLKEMTSA-N	651.761	1.846	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@@H]1N(C)C(C)=O	5082692	KVOAVYAOMXRKEN-PLLBJWBMSA-N	510.507	1.318	0	40	KDAB	biogenic
O=S1(=O)C[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)C1	575423583	GOEDFBBNTFJLNM-MSOLQXFVSA-N	543.472	1.121	0	40	KDAB	
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CC(=O)N1C	643571320	GCPJEYDAXJHPPF-HZMCFHPPSA-N	602.777	1.154	0	40	KDAB	
Nc1nc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cs1	643578209	QUKDUONOQNMYFW-LEWJYISDSA-N	517.652	1.684	0	40	KDAB	
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1OC	8670523	CLPXHMSLVPNFMW-UHFFFAOYSA-N	500.581	1.439	0	40	KDAB	
O=S1(=O)C[C@H]2SC(=S)N(CCCCCCN3C(=S)S[C@H]4CS(=O)(=O)C[C@H]43)[C@@H]2C1	12174705	OWJNEVVWEFAPIV-SYQHCUMBSA-N	500.780	1.545	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1	20084212	ZCCHMTWNZSYTSY-OAQYLSRUSA-N	507.507	1.030	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	24753772	NGCIAUQAMZDMIJ-QGZVFWFLSA-N	501.561	1.779	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	100604302	KLQXPYFNSWYRBB-PBDGMNAMSA-N	518.559	1.141	0	40	KDAB	
CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C(=O)OC)[C@H](c2ccc(OCC)cc2)C=3C(=O)OC)cc1	100817061	CQBNEYXXTPPZCS-LDVBQKTRSA-N	536.606	1.957	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1	224232741	OUGHXYPSYJGPIM-GOSISDBHSA-N	525.649	1.541	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	409338662	NWQYNGZZVYKXDL-UHFFFAOYSA-N	530.024	1.634	0	40	KDAB	
C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	643573097	KZJNISHLMJENRG-STQWGSIPSA-N	643.741	1.654	0	40	KDAB	
COC(=O)[C@]1(C)CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	2060993685	NMDFCFOQBAHNPV-VUGKDGGJSA-N	810.975	1.647	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	12564003	YIOQLCMGCPTLOQ-UHFFFAOYSA-N	505.043	1.495	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	15957421	STXHGNGMSKBWBW-FAELBMERSA-N	512.950	1.196	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	20492897	WBGZFPYJYQJYSG-UHFFFAOYSA-N	511.578	1.613	0	40	KDAB	
COc1ccc(NC(=O)CN(C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1	24716107	UDLVJNHRSTYDCF-UHFFFAOYSA-N	529.619	1.633	0	40	KDAB	
COc1ccccc1OCCNC[C@H](COc1cccc2[nH]c3ccccc3c12)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O	97943144	PUVQFGCELBOSRN-QFJWCRMTSA-N	582.606	1.655	0	40	KDAB	
COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	224551187	DRCKQAQFPDUNTC-CQSZACIVSA-N	533.575	1.788	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225510094	MPNIHWGFSLKJFU-GOSISDBHSA-N	523.633	1.756	0	40	KDAB	
CCOc1cc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)ccc1OCCN1CCOCC1	585274425	WJNGLPPOKNAGGL-HHHXNRCGSA-N	504.672	1.334	0	40	KDAB	
COC(=O)c1ccccc1C(=O)N1CCOCCOCCN(C(=O)c2ccccc2C(=O)OC)CCOCCOCC1	4017646	QFPJLUGKIJVPOQ-UHFFFAOYSA-N	586.638	1.924	0	40	KDAB	
O=C(Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1)c1cccc(S(=O)(=O)N2CCOCC2)c1	6444685	MFRUJIUWMFZNEZ-UHFFFAOYSA-N	615.690	1.628	0	40	KDAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	12600423	DTJDFYQIENWZMO-UHFFFAOYSA-N	509.606	1.840	0	40	KDAB	
CCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(=O)[nH]c1=O	97982588	WYCFUDJQOKTSDA-UHFFFAOYSA-N	537.639	1.390	0	40	KDAB	
Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	102920365	JGOHWDLJBBDEHM-UHFFFAOYSA-N	547.037	1.776	0	40	KDAB	
CC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O	150354533	KHRTUHCOJNQEQG-CSXHVWADSA-N	624.739	1.221	0	40	KDAB	
COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777716	GAAAJRPIITXURY-IBGZPJMESA-N	554.065	1.920	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(N)=C(C)[C@@H](O)[C@@]1(C)O	257198782	IEEOVDVBJXYXAJ-QKICQHTPSA-N	732.953	1.813	0	40	KDAB	
CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O	257507353	OVMSOCFBDVBLFW-DGHICOIASA-N	586.634	1.653	0	40	KDAB	
Cn1cc(S(=O)(=O)N2CCC(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c(=O)n(C)c1=O	618257331	VWAGUIYYFGWOLH-UHFFFAOYSA-N	550.991	1.127	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643564775	FMSKGLALDPCEJX-FPDDQMOCSA-N	554.644	1.807	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN(C)CCOc2ccccc2F)CCCCOC[C@@H](O)[C@H]1O	643586699	SEXKESZFFYZVDX-QFZPQEGWSA-N	569.715	1.775	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	1547139913	MQTOSJVFKKJCRP-IIOLSZRLSA-N	748.996	1.901	0	40	KDAB	
CC(C)(C)OC(=O)NCCOCCOCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	1857524043	YMOKYFTVZVHRSA-KRWDZBQOSA-N	504.540	1.058	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21	5665523	JELXXCPBJSOBIB-HKUUKSEGSA-N	572.618	1.640	0	40	KDAB	
O=C1NC[C@H](O)CN(Cc2ccc3c(c2)OCO3)C[C@@]2(COc3cc(-c4cccnc4)ccc31)C[C@H](O)[C@H](O)C2	108317836	DIWJLOCVIMAMBY-MTBINSJKSA-N	547.608	1.965	0	40	KDAB	
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1	224240051	CPFDSXWKFFCMGK-UHFFFAOYSA-N	523.677	1.982	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O	257549097	TVXISIJXIXGTQS-XJICXYNASA-N	869.055	1.594	0	40	KDAB	
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408676375	CYXOWPHKFHBQNI-YYYDKLNWSA-N	521.614	1.435	0	40	KDAB	
Cc1[nH]c2ccccc2c1C[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O	953075804	RVWNMGKSNGWLOL-DCJZPQKHSA-N	887.059	1.337	0	40	KDAB	
COc1cccc(CN2C[C@@H]3Oc4cc(-c5cnn(C)c5)ccc4S(=O)(=O)NC[C@H](O)CN(C)[C@@H]3C2)c1	1534613272	RDYNXWILBQNIPK-PWWKTKHKSA-N	527.647	1.312	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)cc1	4147859	VBYMQBXWAPZYME-MYDTUXCISA-N	552.573	1.295	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@H]1N(C)C(C)=O	5082700	KVOAVYAOMXRKEN-CWMLTSOLSA-N	510.507	1.318	0	40	KDAB	
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)[C@H](O)[C@@H]1O	8829749	ZTLZGWDERZVHNS-XQVSFOSCSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	38146152	UAUWJXZXZBNZOI-TVZXLZGTSA-N	571.652	1.884	0	40	KDAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	59837702	WJOMGKVHDLONPC-UHFFFAOYSA-N	546.465	1.407	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccc(Cl)cc2)n1C	101575206	ZUHNIJKKUNIBLE-PBZQEHOFSA-N	585.035	1.796	0	40	KDAB	
CCc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	150381743	XEQWGLUCZUVJEG-YBENAVDTSA-N	740.708	1.248	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N[C@@H](C)CNC(=O)C2)cc1	226644565	YQZLDCWWBXEFQZ-FQEVSTJZSA-N	536.676	1.010	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	257198698	GHUUTEXYFBCKSM-NEVJDPTNSA-N	738.912	1.361	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643550998	PHSXQQYDRXMVQZ-AFESJLNVSA-N	586.645	1.566	0	40	KDAB	
CS(=O)(=O)Nc1ccn(CCNC(=O)[C@@H]2CCC(=O)NCCCCCOc3ccc(Cl)cc3C(=O)N2)n1	643570838	MUCLSDZHZUHRDK-SFHVURJKSA-N	555.057	1.282	0	40	KDAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@@]2(C)CC[C@]24C[C@]25CC[C@@H](OC[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C(C)(C)[C@H]5[C@H](OC[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]34C)O1	2060989889	JANVOMCWWGNAIZ-OPWFKRHXSA-N	827.062	1.199	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1	3252911	CAYVGFQTENKBHL-NRFANRHFSA-N	507.524	1.723	0	40	KDAB	
COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1	14086603	VLJGJVLNHISUFO-QHCPKHFHSA-N	522.530	1.274	0	40	KDAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)c3cccc(OCCNC(=O)OC(C)(C)C)c3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257226709	FLURIHMZXAOSFO-UAFMIMERSA-N	518.567	1.016	0	40	KDAB	
COc1ccc(C[C@H](NC(=O)C2=C[C@@H](Oc3cc(F)ccc3Br)[C@H](O)[C@H](O)C2)C(N)=O)cc1	4221631	ZSEVGQSVFGJAHJ-UYWIDEMCSA-N	523.355	1.609	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)NCC(N)=O	12654965	JRINQYCLNNIOOQ-YADHBBJMSA-N	529.638	1.159	0	40	KDAB	biogenic
COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	16050454	ALIFUDXKYLGKKN-HNNXBMFYSA-N	504.594	1.811	0	40	KDAB	
COC(=O)Cc1c(C)c2c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc(C)cc2oc1=O	60045060	VNCVYXDSNQMUDV-ZKPBLSLZSA-N	592.550	1.587	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1	584578914	TVBJKPLTBPGHDJ-ADMBZOBESA-N	660.669	1.447	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CN2CCN(c3ccccc3)CC2)CCCCOC[C@@H](O)[C@H]1O	643586691	QJQWKVBABYRBMS-NODMTMHWSA-N	562.752	1.448	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1	10289061	SYMUQXBGVXMBQZ-GOSISDBHSA-N	523.633	1.454	0	40	KDAB	
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	12484399	WXPNVLFBAQSQFD-HXUWFJFHSA-N	504.996	1.726	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N2C(=O)c3cccc(N)c3C2=O)C(C)C)c1	13102808	JIUJSEYCZMAKDL-HXUWFJFHSA-N	500.577	1.877	0	40	KDAB	
CCCOc1ccc(/C=c2\s/c(=C\C(=O)OCC)n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1OCC	16045031	LDYUIIROYKVHHJ-VDRSAFNVSA-N	518.632	1.565	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NC[C@H]1CCCO1)OCCO3	19940545	CEELTZKPWBRHFH-HXUWFJFHSA-N	502.637	1.877	0	40	KDAB	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)C[C@@H](C)O1	32996114	VAWIDSMYNAVNQY-QZTJIDSGSA-N	523.633	1.758	0	40	KDAB	
CCN(C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1	38152341	JRWZZLXFRCVKMR-HXUWFJFHSA-N	538.644	1.708	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3cccc(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)CC1	60133504	ITLYKLAFFVYHQC-UHFFFAOYSA-N	528.591	1.096	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	77269654	ORICVOOXZDVFIP-ILRBKQRBSA-N	656.641	1.651	0	40	KDAB	in-vitro
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O	95099393	WRYJYFCCMSVEPQ-YWEBWEERSA-N	780.993	1.681	0	40	KDAB	biogenic,in-vitro
O=C(CN1C(=O)c2ccccc2C1=O)C1C(C(=O)CN2C(=O)c3ccccc3C2=O)C1C(=O)CN1C(=O)c2ccccc2C1=O	104800365	ISBFEEFUSBOSCM-UHFFFAOYSA-N	603.543	1.445	0	40	KDAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222737421	DUDNGSAXUFLYLP-QFIPXVFZSA-N	542.702	1.926	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc(Br)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	254620581	SSPAAUHWLHOCSS-UTBUEMAESA-N	561.407	1.819	0	40	KDAB	
Cc1ccc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)nc2c1	257330329	XNXFKGGBCNLQLR-IQGLISFBSA-N	519.610	1.882	0	40	KDAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	408587844	AIYGIDYGLHJBPV-VZUCSPMQSA-N	600.103	1.815	0	40	KDAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccnc4)C[C@H]3C(=O)NC[C@H]1O2	514287637	SFDKPHVGPWVULI-GEMTWJNPSA-N	521.618	1.359	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCNC1=O	643568520	UXRKROOKOCSQEF-NTBNWUQQSA-N	701.777	1.388	0	40	KDAB	
CSCC(=O)N1CC[C@H](NC(=O)NC2CCCCC2)[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	4201086	DBYROVUIAFYQCY-XJUOHMSHSA-N	528.679	1.645	0	40	KDAB	biogenic,in-vitro
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1S(C)(=O)=O	4277836	MYIMRNUNXPLATN-LEWJYISDSA-N	518.592	1.073	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC	20031363	BZBKVPQITSKPGJ-QGZVFWFLSA-N	525.649	1.862	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccco2)CC1)OCO3	20084317	PAWHLWBDRDWWJJ-YADARESESA-N	519.562	1.923	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)N2S(=O)(=O)c2ccc3c(c2)OCCO3)c1	101007763	XDIRGMMRSSHZSD-BSRJHKFKSA-N	536.628	1.993	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)O	102985582	GPOCHLQREYUIEA-KMQSCTNJSA-N	637.691	1.199	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CNc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(N)n(Cc2ccccc2)c1=O	103006909	HFYKLTOPFDSLOZ-UHFFFAOYSA-N	613.693	1.682	0	40	KDAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)cc1OC	408591688	JYCQRNJVHNSGNV-UHFFFAOYSA-N	507.609	1.052	0	40	KDAB	
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	12907228	HTWQAXBBMBLGOV-UHFFFAOYSA-N	518.661	1.108	0	40	KDAB	
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1	35377783	ZZPZJXWEAHUGEW-UHFFFAOYSA-N	500.511	1.851	0	40	KDAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](O)[C@H](O)[C@@H]1O	70665512	IQPQUCSPCDSVLE-OJDYOPAWSA-N	629.615	1.874	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC	100277241	MYSXCORUXMABHX-PXNSSMCTSA-N	552.588	1.799	0	40	KDAB	
COC(=O)c1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	102908502	FYIKMBUXHGJFGA-XMMPIXPASA-N	569.684	1.966	0	40	KDAB	
COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)NC(=O)OCc1ccccc1	145032798	MRSVCIMSRAURLY-UHFFFAOYSA-N	513.540	1.391	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224456371	QIUUTWDQDMAGKU-QGZVFWFLSA-N	546.067	1.711	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O	253387676	GNBHVMBELHWUIF-GAAPGKSGSA-N	593.766	1.316	0	40	KDAB	biogenic,in-vitro
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(=O)N1CCOCC1	409399524	JHSVVDQSGQTQEW-PDGQHHTCSA-N	513.503	1.795	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	643564311	BSSBWRRAIQJCKH-JBUDQFAYSA-N	512.582	1.713	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565511	IBPYGMNDDYOSOX-FCHUYYIVSA-N	515.655	1.159	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccnc1	8448706	MZGIALHUGWOBJV-URBQWANRSA-N	546.630	1.599	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	20031414	QJFYPFLOGQTNAW-KRWDZBQOSA-N	511.622	1.008	0	40	KDAB	
COc1ccc(N2C(=O)NC(=O)[C@@H](C(c3ccncc3)[C@@H]3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1	100218397	QWUODEQDUJXXOL-FGZHOGPDSA-N	557.519	1.981	0	40	KDAB	
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1C(c1ccccn1)c1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O	103770568	FTKBKZMEXODMMT-UHFFFAOYSA-N	533.447	1.630	0	40	KDAB	
NC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	408824882	AVXMMHXPUMMXCP-QFIPXVFZSA-N	528.612	1.488	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC1=O	643567164	TUNUEOINPUDASC-XUZZJYLKSA-N	509.607	1.359	0	40	KDAB	
COc1ccc(CNC(=O)COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1	3244136	LENJGQLCFXFKIE-UHFFFAOYSA-N	527.393	1.952	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6905016	RUAGMRSNSWIBKR-OAQYLSRUSA-N	541.586	1.755	0	40	KDAB	
NCCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O	70665875	FYZDYCPLLSEHER-RBGCBHJMSA-N	545.541	1.120	0	40	KDAB	
COc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	223868450	FLCAGAUUYXUUNT-UHFFFAOYSA-N	511.622	1.901	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224459998	ACPDHEPLMKQOEN-UHFFFAOYSA-N	537.660	1.609	0	40	KDAB	
CC(C)[C@@H]1CC[C@](O)(COC(=O)/C(=C/[C@@H]2[C@H](C(C)C)CC[C@]3(O)COC(=O)[C@H]23)CO)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12	1772592007	WHDXIPRXUGLIGZ-QXGFFAQPSA-N	578.655	1.632	0	40	KDAB	
COc1cc2c(cc1OC)-c1c(cnn1[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)CC2	5410415	CZORZRFQLNOLAY-VUDMOXGKSA-N	560.556	1.922	0	40	KDAB	
CC(C)C[C@@H](NC(=O)C1(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)CCCCC1)C(=O)NCC(N)=O	8789593	OQUMAIALNAQPIJ-UYAOXDASSA-N	517.627	1.253	0	40	KDAB	biogenic
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1=O	13140155	CENNVHQNBHOOMN-DEOSSOPVSA-N	518.567	1.951	0	40	KDAB	
O=C(c1ccc(N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1	15276988	PSADLIZCJXNCMO-UHFFFAOYSA-N	500.621	1.507	0	40	KDAB	
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O	38772754	CJMFZWZGZLKKKW-UHFFFAOYSA-N	505.578	1.999	0	40	KDAB	
CN1CCC(N(C)S(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)N(C)C4CCN(C)CC4)c3)c2)CC1	102933792	HYTCNXUEHWQMIH-UHFFFAOYSA-N	598.813	1.949	0	40	KDAB	
COc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1	113490813	ZHXLPMKKXVPAAO-UHFFFAOYSA-N	540.664	1.584	0	40	KDAB	
COc1cc(NC(=O)c2cc3ccccc3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)cc1Cl	247893287	UJPWFVGXQNDAFV-ACUMWEPGSA-N	519.934	1.941	0	40	KDAB	
O=C(CN1CCCCC1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580372	FCMVZFFEUSRMBN-LOSJGSFVSA-N	516.683	1.817	0	40	KDAB	
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H]2CCCN2C1=O	1542033320	YOKBGCTZYPOSQM-SHOANAQESA-N	896.107	1.532	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@@H]3SC2)s1	2730771	UYNAOHKTVNWMQR-CJNGLKHVSA-N	515.042	1.844	0	40	KDAB	
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@@H]12	2743782	ZOPFOHDSFBKCKW-BMIGLBTASA-N	545.466	1.970	0	40	KDAB	
COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	12689687	UGSOFXIRLJFYAN-UHFFFAOYSA-N	518.621	1.409	0	40	KDAB	
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O	32859600	APYUPSCYHZCDSW-QHCPKHFHSA-N	504.540	1.642	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O	70700194	UFUCBUIDUQDHOE-RVMZHNTDSA-N	549.584	1.046	0	40	KDAB	biogenic
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	226551188	QACCEXUDTIMBQQ-IKLKHMQRSA-N	562.395	1.214	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Br)cc1)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1ccc(Br)cc1	575421492	JMKKUVQINGMCLO-XLLXOSNRSA-N	704.462	1.238	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@H](C)CC)N(C)C1=O	1086455176	AIPPDKJKKDOWTJ-CZYYLBMZSA-N	621.820	1.952	0	40	KDAB	biogenic
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N	6546975	HJMPLNXKJIFYRP-SFHVURJKSA-N	503.512	1.619	0	40	KDAB	
O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N[C@H]1CCS(=O)(=O)C1	13120208	PJIPXYKWPXOIID-VQFGERMISA-N	504.586	1.298	0	40	KDAB	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1	14092968	VVBTYXQKDYQUOR-DEOSSOPVSA-N	516.576	1.892	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	17296824	GKKBSHDMQDFOHQ-LAINMTBBSA-N	513.597	1.733	0	40	KDAB	
COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	38146151	UAUWJXZXZBNZOI-UFPGJGBJSA-N	571.652	1.884	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1	100337146	DZVVFSBUROFASJ-JIPXPUAJSA-N	568.598	1.880	0	40	KDAB	
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)ccc21	223685755	NDOKAJUJDPLAAA-UHFFFAOYSA-N	509.606	1.816	0	40	KDAB	
C[C@@H]1CC[C@@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	253501111	YXSQSVWHKZZWDD-CIQRKRHOSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(N)=C(C)[C@@H](O)[C@@]1(C)O	257198783	IEEOVDVBJXYXAJ-VBMBRRAFSA-N	732.953	1.813	0	40	KDAB	
Cc1nc(C)n(CC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)n1	585287564	YXVKDVZRRBZLHV-DEOSSOPVSA-N	506.003	1.782	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(Cl)cc1OC[C@H](N)Cc1ccccc1)C(=O)O	2037879760	ONSOUEOKOOIBHG-XNFXSIFFSA-N	533.025	1.878	0	40	KDAB	
CCCCn1c(SCC(=O)Nc2nc(C)c(CC(=O)OCC)s2)nc2c1c(=O)n(C)c(=O)n2C	6162156	GMQJOFBDNXWGIX-UHFFFAOYSA-N	508.626	1.835	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C(=O)O)[C@@H](C)O	16032976	SMEKSEYFODSNDF-TYWJRMFUSA-N	518.570	1.729	0	40	KDAB	biogenic
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@H]1c1ccc(OC)c(OC)c1	19817802	REPQWFAWIFYBPR-RPWUZVMVSA-N	524.574	1.957	0	40	KDAB	
C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2	100928895	FYSGSJYHTVGYLT-GPQLQYNLSA-N	506.669	1.897	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1	102920332	QUKZWRHLMLWOIF-UHFFFAOYSA-N	534.639	1.244	0	40	KDAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1	222574136	TURPABSTCRLLIP-MRXNPFEDSA-N	511.622	1.960	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224460052	GACXQGGJGKWVEO-UHFFFAOYSA-N	551.687	1.999	0	40	KDAB	
CC(C)Oc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224470628	XCDONHMBBYDBJP-UHFFFAOYSA-N	555.675	1.456	0	40	KDAB	
CCOC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c1cccc2cc(C)cnc12	245204606	DWOYDKNIEZWRDH-VDGAXYAQSA-N	577.664	1.466	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](OC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253535138	PEDLHTCZTNWMIO-BKRRZYTHSA-N	945.877	1.615	0	40	KDAB	
CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CNS(C)(=O)=O)C2)CC1	257201261	AGYASIGYDOCZEX-QFIPXVFZSA-N	501.049	1.041	0	40	KDAB	
CN1Cc2cccc(c2)CN(C(=O)[C@H]2CN(S(C)(=O)=O)CCO2)CCCOc2ccccc2C1=O	643557589	YFIUZZNEFFIPLV-HSZRJFAPSA-N	501.605	1.730	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643565716	IHLKXFQCHDBQAZ-LOMAHXHCSA-N	591.709	1.996	0	40	KDAB	
CC(=O)N1CC=CCN(C)C(=O)c2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2OC[C@H]1CC(C)C	1615191796	PLVULSSFGRKQNZ-HSZRJFAPSA-N	550.722	1.971	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](Sc3ccccc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	4403157	OJVHDCHVHOISBO-JJXPPYKSSA-N	728.722	1.398	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1	8684073	QBSCALBWFZOATQ-IBGZPJMESA-N	526.409	1.280	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c(=O)[nH]c1=O	38140775	MHGBZWSODIQJHM-UHFFFAOYSA-N	548.666	1.075	0	40	KDAB	
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1	103135762	DIELDVKDIOJXSJ-UHFFFAOYSA-N	544.567	1.984	0	40	KDAB	
CC(C)CC(=O)N1CCCN(C)CCN(C(=O)[C@@H]2COCCN(S(=O)(=O)N(C)C)C2)Cc2ccccc21	618017136	GAWFVEMADBOQKS-QHCPKHFHSA-N	537.727	1.485	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643568280	OCHPPIWHPPMVJF-GQOCTPOGSA-N	542.608	1.125	0	40	KDAB	
COc1cc(/C=C/COC(C)=O)cc(OC)c1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	1078028297	KEQKIMKYTIOSCP-GHXWVJEMSA-N	582.555	1.742	0	40	KDAB	biogenic
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)COc1ccc(I)cc1	824763	BCIHRYHLTRORNG-AWEZNQCLSA-N	525.347	1.458	0	40	KDAB	
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	8687878	RYIPISQDZDJARN-QHHAFSJGSA-N	501.561	1.925	0	40	KDAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1	10357845	ZYWMIDKYEBZYDB-UHFFFAOYSA-N	526.637	1.962	0	40	KDAB	
O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O	12886227	DVDBNSIIXPMOLO-BDTNDASRSA-N	504.543	1.540	0	40	KDAB	biogenic
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)C2)cc1	13564521	YAWJSIYRXGJTAP-GOSISDBHSA-N	508.560	1.918	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCO2	13636458	XACYBTVTKLNVFN-FQEVSTJZSA-N	513.982	1.547	0	40	KDAB	
COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1	20032629	UZPSMRJKAJOTHX-UHFFFAOYSA-N	505.574	1.839	0	40	KDAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C(C)=O)cc3)CC2)c1	38784334	MQLDPIBDLDGJIB-DEOSSOPVSA-N	507.591	1.376	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	70686544	ZBYDOGVAOZEPSJ-IUSCBXDMSA-N	532.498	1.744	0	40	KDAB	biogenic
CC(C)CN(C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982453	QQSSVYXMCZEMFH-UHFFFAOYSA-N	546.584	1.882	0	40	KDAB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	103093710	FESYWWHFBGBNHX-UHFFFAOYSA-N	572.036	1.966	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1	222934189	SKOPBYSUNATTKB-SQJMNOBHSA-N	575.684	1.807	0	40	KDAB	
Cc1cn([C@@H]2C[C@@H]3O[Sn](c4ccccc4)(c4ccccc4)OC[C@H]3O2)c(O)nc1=O	263610744	WLKSICXUAYZMDK-GRZVIJAKSA-N	513.138	1.217	0	40	KDAB	
CC/C(C)=C1\OC(=O)[C@@H](C)[C@@H](O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@H](C)OC1=O	4774078	WHIKSLGSXKIHCA-YFPYHJNGSA-N	540.573	1.178	0	40	KDAB	in-vitro
COC(=O)c1sc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C(=O)OC)c1C	16043682	AWPKFKUOSFRPRX-ZDUSSCGKSA-N	512.562	1.329	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3CN1CCN(C(=O)c2ccccc2)CC1	70665908	OODLPYNTTOEQHX-YLESFEINSA-N	556.656	1.893	0	40	KDAB	biogenic
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)OCCOCCOC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	201758233	RVIMABMFKILFLU-UHFFFAOYSA-N	520.403	1.620	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCCOC[C@H](O)[C@@H]1O	643550764	XEFSFZXUCQXXCD-FUDKSRODSA-N	519.561	1.732	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643574577	BAPCPKFGXGWFER-JZRGNDHQSA-N	685.778	1.948	0	40	KDAB	
C[C@]12CC[C@]3(C)CC[C@@](C)(C(=O)O)C[C@@H]3[C@@H]1CC(=O)[C@@H]1[C@]2(C)CC[C@H]2[C@@]1(C)CC[C@H]1O[C@@H]3O[C@@](C(=O)O)([C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)[C@]21C	2060999563	CEPUGFRUPFDWKE-MIBLHFOGSA-N	808.915	1.689	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1	12542901	CHYGSXSTUUQGMM-MZNJEOGPSA-N	500.577	1.810	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1	20610660	UBWNUSPDYLRFSV-VDQVMUTISA-N	510.934	1.626	0	40	KDAB	biogenic
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	29747534	WMRSSFYKOQRJPM-LJQANCHMSA-N	528.529	1.805	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C(=O)OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1	97968576	SKTFMJGARNAKHS-IAERKFLBSA-N	578.599	1.123	0	40	KDAB	
C[C@@H]([C@@H](O)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)N1CCC(Cc2ccccc2)CC1	137276408	GXHMRNLUBONADM-OZTLCNHISA-N	501.576	1.334	0	40	KDAB	
CN(C)CCOc1ccc(C(=O)N2CC[C@@H]3OC[C@H](n4cnc5c(N)ncnc54)[C@@](C)(O)C[C@@H]3C2)cc1	257286045	PJZDGPHGUIBJTC-NYWXEVPUSA-N	509.611	1.592	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408635804	FFZMCSAEPVOBJM-UHFFFAOYSA-N	517.604	1.468	0	40	KDAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)cc1	408653584	IPKIIRMCSLZVFV-SFHVURJKSA-N	527.530	1.946	0	40	KDAB	
O=S1(=O)C[C@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1	575423593	GOEDFBBNTFJLNM-ROUUACIJSA-N	543.472	1.121	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567736	TUGXQAXLIOTMLC-KYJUHHDHSA-N	643.741	1.608	0	40	KDAB	
O=C1C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1	643574883	XXTGZYJRTPXVPS-GOTSBHOMSA-N	564.639	1.705	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C2CCOCC2)CC3=O)CC1	958317881	WFHYZROJHGUEEI-ZEQRLZLVSA-N	524.662	1.772	0	40	KDAB	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1	2649177	OSYGMWISIPLCBM-FQEVSTJZSA-N	511.578	1.224	0	40	KDAB	
CCOc1cccc(C(=O)NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)O)cn(CC)c4n3)CC2)c1	8769455	XOCZXXHSSQZFPQ-UHFFFAOYSA-N	510.576	1.745	0	40	KDAB	
Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1	33939904	JAHWIZMBXJXWMQ-HWWZCMPFSA-N	506.559	1.958	0	40	KDAB	
CC(C)Cn1c2c(=O)n(CC(N)=O)c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12	65098341	RDKXMFRKCWHGSP-UHFFFAOYSA-N	501.547	1.932	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O	70705638	JRIRYTIZEVHCKZ-QMZRJTEUSA-N	580.642	1.022	0	40	KDAB	biogenic
Cc1ccccc1-n1c(O)c([C@H](c2ccncc2)c2c(O)[nH]c(=O)n(-c3ccccc3C)c2=O)c(=O)[nH]c1=O	100104020	ATAAMOOCJYPDKN-HXUWFJFHSA-N	525.521	1.968	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O	103084143	IULSWBZDQISGIL-UHFFFAOYSA-N	570.624	1.585	0	40	KDAB	
COc1ccc(CCc2nnc(S[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)n2C)cc1OC	103504992	XYKXKKAJJSYDFW-YVSOFHLNSA-N	608.670	1.366	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC	224423626	OQIBXEXAHBABRD-UHFFFAOYSA-N	555.675	1.694	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1O	253504167	AYWNHWGQTMCQIV-AVUGOXRYSA-N	827.018	1.295	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1	257548800	TVBJKPLTBPGHDJ-GKMSMXQYSA-N	660.669	1.447	0	40	KDAB	biogenic
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@](C)(O)CO	299851151	ABPYUKBBMCBILQ-HVJIHPKFSA-N	737.939	1.538	0	40	KDAB	in-vitro
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCCCN2CCOCC2)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643569725	CHJTUBHWEGMJAL-BDYUSTAISA-N	605.736	1.515	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1	2643859	JOVBVGBAUNJEHD-UHFFFAOYSA-N	520.589	1.976	0	40	KDAB	
COC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	5460403	LUFBUJPRIKZREA-FCHUYYIVSA-N	524.530	1.947	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1	13513674	MOVXHFXXDXDHJA-KRWDZBQOSA-N	508.622	1.935	0	40	KDAB	
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1	14359154	MVDCZAREVYRJSJ-CYFREDJKSA-N	531.631	1.883	0	40	KDAB	
C[C@@H]1O[C@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@H]1O	253499157	WPVGSIBYLZQSIK-LEYGNQORSA-N	536.662	1.429	0	40	KDAB	biogenic
CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@@H]2[C@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H](O)CC4=CC[C@@H]5[C@H]6C[C@H]7O[C@@]8(CC[C@@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]5[C@]43C)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	253612221	CJEFMQWHKUPVBZ-TUVDKEPUSA-N	897.065	1.422	0	40	KDAB	biogenic,in-vitro
CCN1CCN(C(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)CC1	643565260	VWTBMIGISKCTPG-ACIOBRDBSA-N	527.666	1.254	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576307	UFFVYWAKIHCVOP-WAKHXKBOSA-N	642.757	1.696	0	40	KDAB	
CCN(CCO)C(=O)CN1CCCCCOc2ccccc2N(CC(=O)N(CC)CCO)c2cncc(c2)C1=O	643585334	ZSOXWZFGSCMYJW-UHFFFAOYSA-N	555.676	1.906	0	40	KDAB	
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5741600	JQKUHJFIWBKHQF-VRCPBSEVSA-N	571.222	1.431	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NC(=O)NCCC(C)C)n2C	12546486	HGTKMFDPATWLBI-UHFFFAOYSA-N	509.629	1.952	0	40	KDAB	
CC(=O)Cn1c(S[C@@H](C)C(=O)N2CCOCC2)nc2ccc(I)cc2c1=O	13770466	MBCKWVGFKZDEBT-LBPRGKRZSA-N	501.346	1.930	0	40	KDAB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(OC(C)=O)C[C@@H](OC(C)=O)C(OC(C)=O)[C@H](OC(C)=O)C1	70665363	HQJMMMNUCZFHGX-CULZIHDPSA-N	560.556	1.259	0	40	KDAB	biogenic
COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)C(F)(F)F	98005952	IJOAIKTXOURHMD-VHBKMNRISA-N	605.515	1.055	0	40	KDAB	
Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc21	101363441	QRJQNNVSPHQUOP-QWXGXRTQSA-N	575.611	1.117	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	104115394	AQKPXOWLUQPPRH-YBAITNKUSA-N	531.514	1.661	0	40	KDAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1Cl	224210129	VRTHXSLYMURMNO-UHFFFAOYSA-N	504.030	1.860	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	252469968	BPDBXEVYPPWFPU-GUFRKYNFSA-N	551.618	1.566	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CC(=O)N2CCC[C@@H]2C(=O)N1	643565170	UHNFKOQTZRDIIM-ACIOBRDBSA-N	527.666	1.254	0	40	KDAB	
Cc1cn([C@@H]2CO[C@H](CNC(=O)Cn3c(C(F)(F)F)nc4ccccc43)[C@H]3OC(C)(C)O[C@H]32)c(=O)nc1O	1615122907	RFLBDNOWNGEEHP-ZAWLATJESA-N	537.495	1.902	0	40	KDAB	
CC(C)[C@@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)[C@@H]2CCCN2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O	1616108882	WSJJWGRTZGFKFK-GCRSFRQPSA-N	658.804	1.021	0	40	KDAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc2c(c1)OCO2	3380655	FDSNFMUFCXLGCZ-UHFFFAOYSA-N	504.517	1.769	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13302418	JAFHRXBUMPKHBC-HZVKZAKPSA-N	520.318	1.806	0	40	KDAB	
CC1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O	14923339	SGYJGGKDGBXCNY-KGSLCBSSSA-N	526.634	1.017	0	40	KDAB	biogenic
CCC(=O)c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	70665647	PRGWPEPFIYKYJJ-GNADVCDUSA-N	510.492	1.750	0	40	KDAB	biogenic
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@@H](C)CC	252515143	HOFGZJTZROMXRO-ZEONQLHCSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
CCCCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(S(N)(=O)=O)ccc21	12539240	XISZSYDSCIURGR-UHFFFAOYSA-N	525.678	1.582	0	40	KDAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20032510	PDOPGXVJGZJGKE-UHFFFAOYSA-N	511.622	1.091	0	40	KDAB	
COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	20465450	IWHDVNNHEDXIMP-WZYRSQIMSA-N	509.525	1.755	0	40	KDAB	biogenic,in-vitro
O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1	97979393	GENYQCZWWONNJX-YDWXAUTNSA-N	648.712	1.111	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575241	GDZJPAKEKJDVRZ-QJRASEFVSA-N	564.617	1.451	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226087978	HUPJSPFYNOJDCJ-UHFFFAOYSA-N	525.649	1.134	0	40	KDAB	
CCN1C[C@]2(COC)[C@H]3[C@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1	255999258	RIPYIJVYDYCPKW-YQVUXBRWSA-N	687.783	1.219	0	40	KDAB	
CCCN1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4cnn(C)c4)ccc3C(=O)N2)CC[C@@H]1O	514287536	JDUFCWFOCXWKEL-AKNSVXHUSA-N	511.623	1.477	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1	584578916	TVBJKPLTBPGHDJ-REDWXDGYSA-N	660.669	1.447	0	40	KDAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CN2CCC(C(N)=O)CC2)Cc2ccc(Cl)cc21	643566774	YPQKXXXBJKOGEB-UHFFFAOYSA-N	522.090	1.959	0	40	KDAB	
O=C1N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21	643576531	PKBFKEJWMQENIF-OIFRRMEBSA-N	697.789	1.922	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CCCCOC[C@H](O)[C@@H]1O	643584759	JNQKWGFZQLYQIA-JTAQYXEDSA-N	543.086	1.976	0	40	KDAB	
CC(C)C[C](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	1560408737	JVNBTQLOYHWMHM-BDYUSTAISA-N	565.691	1.943	0	40	KDAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2[nH]1	4715039	BLEBKZBLEMTVLI-HTUFRPJOSA-N	550.517	1.457	0	40	KDAB	
COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)NCCc1ccccc1	20033310	HCGMNDOMNDMTCN-UHFFFAOYSA-N	503.602	1.794	0	40	KDAB	
COc1ccc2c(c1)c(CC(=O)O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1	97943260	QCBWEVBGELGABM-CITZFPKPSA-N	533.917	1.278	0	40	KDAB	
COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222854861	VVLUHWCJCQEPSX-LJQANCHMSA-N	537.610	1.405	0	40	KDAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCCO)cc1	222944958	AOQUXRHSWFYMFD-IBGZPJMESA-N	505.637	1.842	0	40	KDAB	
C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224344833	LQXAGAAAMHWGRH-GOSISDBHSA-N	525.649	1.829	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O)cc1	257238799	HMPAEMQBVHHQEZ-VURPSTOHSA-N	541.609	1.557	0	40	KDAB	
Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	260892283	XKSOSACODAZYIT-HXUWFJFHSA-N	539.676	1.674	0	40	KDAB	
COCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409271820	NOTSJCDXFGMCIL-RUZDIDTESA-N	586.692	1.765	0	40	KDAB	
C[C@@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3c[nH]c4ccccc34)CC2)OC[C@H]1n1cnc2c(N)ncnc21	585284501	FUVBEQQUIQIUSQ-DMJCMNNJSA-N	504.595	1.533	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643582564	LSCWMZWYALWDLM-JDBUVZGPSA-N	536.629	1.389	0	40	KDAB	
CCCc1nnc(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)n1CC	643913369	SZKVANLXQHBEJR-IILZIBOQSA-N	601.811	1.608	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	34633324	ARPVHNFYZHWCNQ-ZSYZGHEHSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
COc1ccccc1N(C[C@@H](O)CN1CCN(CCN2CCCC2)CC1)S(=O)(=O)c1ccccc1	61721390	PPMYVDZREBGORA-QHCPKHFHSA-N	502.681	1.965	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCSc1nnnn1-c1ccccc1	97957499	OKPJPBULGBLLEI-UHFFFAOYSA-N	544.645	1.514	0	40	KDAB	
C[C@@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1	102938262	WWIJDIQLBWASKR-PCYTUBISSA-N	632.761	1.076	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	253387437	RZQHWSDMLZHIRN-ZJDNFKTFSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H]1NC(=O)C2(C/C=C/C[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC2	257277836	NZRGTXJERAAKDZ-BLSSISIASA-N	591.750	1.766	0	40	KDAB	
O=S1(=O)CC[C@H](N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575421590	JDGUUYMFXMGLCA-RYUDHWBXSA-N	551.300	1.577	0	40	KDAB	
CC(C)CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O	643580408	GYBLTKVNUAXIPB-VNNZRSTGSA-N	695.818	1.691	0	40	KDAB	
Cc1nnc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc2)nn1	953109487	PAMHTCMCKYWMRZ-UHFFFAOYSA-N	788.889	1.295	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)c(O)c(OC)c1	2799805	COZONACNRCJSRL-ALPFBALHSA-N	574.011	1.649	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c(=O)[nH]c1=O	15933625	RNOYPVBRPDELRC-UHFFFAOYSA-N	503.585	1.484	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O	100139939	GNBHVMBELHWUIF-HDRNILEYSA-N	593.766	1.316	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	222649529	DBBPVMHCTQEMAI-UHFFFAOYSA-N	531.631	1.722	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O	223947535	KJJARTUKAVUVQX-UHFFFAOYSA-N	511.622	1.425	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	247913442	VJJPUSNTGOMMGY-RGHDDFOXSA-N	588.562	1.339	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2	253403510	QAKSRPNJGJUYOF-IUWRHVCYSA-N	586.636	1.869	0	40	KDAB	
Cn1c(=O)c2ncn([C@H]3CN(C(=O)CCCn4c(C(F)(F)F)nc5ccccc54)C[C@@H]3O)c2n(C)c1=O	257217297	CYJWDCCEELHLMW-HOTGVXAUSA-N	519.484	1.027	0	40	KDAB	
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CN2CCC(C(N)=O)CC2)CC(=O)N1	643556019	DEJJDYURDQDRJL-NRFANRHFSA-N	550.100	1.799	0	40	KDAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C(=O)OC)=C(N)O1	1245315	GJXAUQXONWGLIU-OAQYLSRUSA-N	509.309	1.783	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)[C@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O	4177591	MACRWUZSSFLAMW-FQPKLWCBSA-N	585.702	1.852	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1	20032323	KTQBTSJMUCXTDQ-QGZVFWFLSA-N	513.613	1.802	0	40	KDAB	
CCCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994500	XSEKSUNCTRCDMJ-UHFFFAOYSA-N	520.656	1.158	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852022	MDFHUUNQMPFRPB-UHFFFAOYSA-N	537.660	1.496	0	40	KDAB	
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224405029	QHWHGNQCCYPAIN-UHFFFAOYSA-N	521.617	1.591	0	40	KDAB	
C[C@@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(C)C[C@H](O)[C@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@]4(C)CC[C@]34C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]23)[C@@H](O)[C@H](O)[C@H]1O	252695089	UPADPCUOTDTWHH-YBQGZJBRSA-N	768.982	1.752	0	40	KDAB	biogenic
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	253501135	ZTLZGWDERZVHNS-MCTWUAAFSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)OC	408594681	UVMHWYOEIFALFI-VZUCSPMQSA-N	504.233	1.219	0	40	KDAB	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	38152257	KWQSYYYGYBAZNA-UHFFFAOYSA-N	534.081	1.498	0	40	KDAB	
CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	95568175	PXHLCPNCEBLWHI-UHFFFAOYSA-N	527.010	1.938	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170623037	WAEKSZJQJUDRCQ-YCXOGWGTSA-N	565.553	1.736	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224485572	KBMRNXFKODURSU-QHCPKHFHSA-N	555.675	1.456	0	40	KDAB	
CC[C@H](C)N1[C@@H]2OC3O[C@@H]4[C@H](OC3O[C@@H]2N([C@H](C)CC)S1(=O)=O)N([C@H](C)CC)S(=O)(=O)N4[C@@H](C)CC	3671233	SVAAECYOBWQVFI-MPRYYYNGSA-N	554.732	1.955	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	13146130	SYACUFUNVRXTRW-OAQYLSRUSA-N	523.633	1.898	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22867530	MRFZPKXZAGDHEF-VWLOTQADSA-N	533.589	1.806	0	40	KDAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222708867	LKNPSQOTRXLIIG-JOCHJYFZSA-N	516.664	1.314	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3C[C@@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253498645	GHUUTEXYFBCKSM-ZHIIWIBISA-N	738.912	1.361	0	40	KDAB	biogenic
COc1cc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc2c1OCO2	524729356	PPGUTNCRYCWEDP-AYBZRNKSSA-N	535.553	1.871	0	40	KDAB	biogenic
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNC[C@H]2CCCO2)CCCCOC[C@@H](O)[C@H]1O	643586695	RNLVNUQTSMNQTO-AYYYIYHSSA-N	581.726	1.827	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	70665110	PHWAJZBFJSWBIQ-QHAWAJNXSA-N	636.699	1.455	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c3c1OCO3)CCN(C)C2	70712703	XJRCKFTZNNPUPF-FQEVSTJZSA-N	531.587	1.085	0	40	KDAB	biogenic
CC(=O)OC[C@H]1O[C@@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100250316	BPDBXEVYPPWFPU-WVYLNQBTSA-N	551.618	1.566	0	40	KDAB	
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1	408601038	DTYMADHCEWAFIV-OAHLLOKOSA-N	508.549	1.917	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CCO)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582581	NMRFBCJDFXNDDE-GOTSBHOMSA-N	530.666	1.568	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N(C(=O)C=C(C)C)C2)c1	3839070	PKBSQBMSGSUYOW-WWNPGLIZSA-N	507.591	1.965	0	40	KDAB	biogenic,in-vitro
COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1	12467534	WAHSGGBTGVAWNF-IBGZPJMESA-N	517.564	1.894	0	40	KDAB	
CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1	13526292	NBFRFBFDEKPKTQ-LJQANCHMSA-N	506.602	1.630	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl	20031459	GUJSJKISDSSZJU-CQSZACIVSA-N	504.030	1.972	0	40	KDAB	
CN1C(=O)C(Cc2ccc3c(c2)OCO3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C1=S	20112016	OWXRIQCFUZEGMS-MSOLQXFVSA-N	508.600	1.441	0	40	KDAB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1	100230074	SERTVDGCALBHKI-HXUWFJFHSA-N	523.449	1.172	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)c(Cl)c3C3CC3)[C@@H]2SC1	101647152	JVEJCSQMNQSWSK-SJCJKPOMSA-N	522.889	1.734	0	40	KDAB	
CC(C)(C)c1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	224458101	OENWFZBHIKCIET-UHFFFAOYSA-N	553.703	1.966	0	40	KDAB	
O=C(COc1ccc(I)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224481828	DFLYILWUIDZYBP-UHFFFAOYSA-N	546.383	1.886	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(C)=O)[C@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O	252463616	JEQWQKAKFXGXKA-UAYBKDQDSA-N	740.899	1.168	0	40	KDAB	biogenic,in-vitro
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643565924	LSCWMZWYALWDLM-KZTDQWPFSA-N	536.629	1.389	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@@H](C)C2)CC(=O)N[C@@H](CC(C)C)C1=O	643582808	YFOAEYJWEKOTTF-LGGPRVQUSA-N	516.639	1.583	0	40	KDAB	
COC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)[nH]c(=O)c2c1C	25387818	UFLPETRAOVMCJN-UHFFFAOYSA-N	520.589	1.357	0	40	KDAB	
O[C@H](COc1ccc(-c2nnco2)cc1)CN1CCN(C[C@H](O)COc2ccc(-c3nnco3)cc2)CC1	26893750	HRTYXXGEDHQWNU-VXKWHMMOSA-N	522.562	1.584	0	40	KDAB	
CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](CCC)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	100679804	DJSIYJKKISUKBH-VFKPNTFBSA-N	576.694	1.609	0	40	KDAB	
Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)cc1	219221381	FQYZPSNPTJYQKB-CGTMUHGOSA-N	979.146	1.512	0	40	KDAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223992022	XEUWVKJFIRGOTQ-QGZVFWFLSA-N	505.593	1.786	0	40	KDAB	
CCOc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224289327	QFKMAEVBDHCGRO-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
C[C@@]1(O)CC2(CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)OC[C@H]1n1cnc2c(N)ncnc21	257312681	UPBUNZBWFBOXAX-MZNJEOGPSA-N	540.625	1.127	0	40	KDAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)N1CCOCC1)CC2=O)NCCN1CCCC1	514287342	PNELCEGVQJKRAO-OXOOYNAKSA-N	553.704	1.956	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643566519	ZDHZGCDKRDQZGF-UIOOFZCWSA-N	591.709	1.996	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](O)CO)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@]3(C)CC[C@@H](O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](CO)O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](O)CO)C(C)(C)C3=CC[C@@]12C	2061000071	CVYYTHLRDPCZHD-XALRVSDQSA-N	993.279	1.806	0	40	KDAB	
CN1CC[C@H]2CC(=O)N3CCC(CC3)N3CCC[C@H]3C(=O)N[C@H]3C[C@@H](C(=O)NCC[C@H]2C1)N(C(=O)c1ccccc1)C3	2332241380	JNVXHHMLVDYKTO-OQWKOXFXSA-N	578.758	1.319	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@H]3SC2)s1	2732761	ZSZSAKWJVDKMID-BLLLJJGKSA-N	516.577	1.820	0	40	KDAB	
O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NC(=O)[C@@H]1COc2ccccc2O1	13129831	GHKWBKHSSNCDDA-LPHOPBHVSA-N	508.936	1.519	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCS(=O)(=O)C1	13525822	XSZRTWCWEGFIOI-INIZCTEOSA-N	507.030	1.707	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@@H]3CN1CCN(C(=O)c2ccccc2)CC1	70665906	OODLPYNTTOEQHX-UJOIGEQOSA-N	556.656	1.893	0	40	KDAB	biogenic
CCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	70712223	RIXAWIIOMSMOQB-MRPKTGBJSA-N	578.644	1.934	0	40	KDAB	biogenic
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@H]5[C@@H]4C[C@H](O)[C@]3(O)C2)[C@@H](O)[C@@H](O)[C@@H]1O	118924813	DVTBKGKMSDFCAF-FVKZAPFKSA-N	536.662	1.427	0	40	KDAB	
CCN1C[C@@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@](O)(C[C@H]32)[C@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@@]1(O)[C@H]2OC	247968716	XTSVKUJYTUPYRJ-BLPZZARLSA-N	600.709	1.337	0	40	KDAB	biogenic,in-vitro
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OCC	408549689	XBLQIJNSZNNAHS-NTUHNPAUSA-N	532.287	1.698	0	40	KDAB	
Cc1ccc(C)c(S(=O)(=O)CCC(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)c1	643564213	YMBSTRMMUXMRNA-NRFANRHFSA-N	521.680	1.897	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643566254	BIASONBBKUEXAU-FLABLRJTSA-N	575.710	1.887	0	40	KDAB	
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1	8994758	DJEGDWJOWDTDTF-OBFZPWGMSA-N	506.559	1.425	0	40	KDAB	
Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	102920992	JNTQBZKQDZJNAZ-UHFFFAOYSA-N	530.054	1.942	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4cccnc4)NC3=O)O2)cn1	514287669	XEVNUJTYYFIIJU-WKRKAGLOSA-N	560.655	1.662	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccccc2)C1	585279599	DKPSHTKRORGPPO-SSEXGKCCSA-N	568.671	1.887	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)[C@H]2SC1	22831410	YCEPAMYYBXSCCK-VBKZILBWSA-N	507.475	1.460	0	40	KDAB	
COCCN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23080007	DTQDYSBOBCCGDP-UHFFFAOYSA-N	519.558	1.804	0	40	KDAB	
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	33000523	IJFQVXPIGNFBHN-UHFFFAOYSA-N	505.593	1.754	0	40	KDAB	
CC(=O)N1C(=O)/C(=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)c2ccccc21	97968921	GPQLSSDHTQCEQY-PBBVHMLESA-N	564.627	1.882	0	40	KDAB	
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)n(C)c1=O	103048972	CLESJUKHSGODER-UHFFFAOYSA-N	588.046	1.363	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1NC(C)=O	575426449	TYRAXMWDJUGAAL-VWLOTQADSA-N	646.766	1.167	0	40	KDAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCCn3cncn3)CCO2)ccc1Cl	585285688	MCUSIJJTESSUAB-RUZDIDTESA-N	519.046	1.861	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCNC1=O	643564699	AZLHLTSQIFLCOK-VXKWHMMOSA-N	515.655	1.207	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566815	XMEQURXWJRNTML-PZGSVQSZSA-N	542.608	1.891	0	40	KDAB	
O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)NCc1ccc2c(c1)OCO2	2037879822	RVHDPZANPASOMV-GDLZYMKVSA-N	534.613	1.999	0	40	KDAB	
CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(CSc4nnc(C)s4)CS[C@H]23)n1	2747826	CRWUJGVQONLEQC-XHDPSFHLSA-N	501.015	1.861	0	40	KDAB	
Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5741602	JQKUHJFIWBKHQF-FAJAVTLNSA-N	571.222	1.431	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)CCn4cnc(Cl)c4Cl)CC3)c3c1OCO3)CCN(C)C2	524731556	BOMMFBSOSOKFQV-UHFFFAOYSA-N	560.460	1.838	0	40	KDAB	biogenic
Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CS(=O)(=O)C[C@@H]2N(S(=O)(=O)c2cc(Cl)ccc2C)[C@H]2CS(=O)(=O)C[C@@H]21	575424999	DFTZJXQYMDPTHN-LWYYNNOASA-N	643.614	1.637	0	40	KDAB	
Cc1cc(C)n(CCCC(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)c(=O)n1	643564102	IFZSIHHCEHAJAB-FPOVZHCZSA-N	503.644	1.459	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CC(=O)N2CCC[C@@H]2C(=O)N1	643564940	OJRGIQZJMGBQEQ-ACIOBRDBSA-N	536.633	1.238	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643566679	HOSLGHDPTVZJQI-AFESJLNVSA-N	589.693	1.415	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OCCCNC1=O	643567745	UIQGDAYILJCYBW-SFTDATJTSA-N	503.644	1.063	0	40	KDAB	
CC1(C)C(=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@@H](O)[C@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)[C@@]3(C)CC(=O)[C@@]21C	1772591439	BWLJNNFSQWDPOQ-ZBTORUDJSA-N	664.833	1.814	0	40	KDAB	
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	2060993684	NMDFCFOQBAHNPV-QYMOICBLSA-N	810.975	1.647	0	40	KDAB	
Cc1nc(C(=O)N2CC[C@H](NC(=O)c3snnc3C)C[C@H]2C(=O)N[C@H](CC(C)C)C(N)=O)cs1	4221708	DEMGLCCRFOMSBX-LZWOXQAQSA-N	507.642	1.031	0	40	KDAB	biogenic,in-vitro
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)N[C@H]1CCS(=O)(=O)C1	12533121	DMSXKBXENFJEOC-HNNXBMFYSA-N	500.624	1.307	0	40	KDAB	
COCCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12872792	VCBFJNRSNQVQSW-UHFFFAOYSA-N	514.560	1.414	0	40	KDAB	
O=C(CSC[C@H](O)[C@@H](O)CSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2	15108995	HDDCPASALXCSCE-HOTGVXAUSA-N	508.574	1.909	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1	15544066	GSHUIAWHBGFOKD-OAHLLOKOSA-N	513.494	1.608	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	38784403	KPSNSENMSBKCPP-QHCPKHFHSA-N	527.025	1.776	0	40	KDAB	
COCCNC(=O)CCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1	95117012	RUHODGBBZQGLCK-UHFFFAOYSA-N	520.029	1.605	0	40	KDAB	
NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1	100782325	ABBKSIZGWQRDPF-KZTDQWPFSA-N	577.638	1.231	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257241406	HXYIRABPKHEPIJ-SPEDKVCISA-N	537.411	1.061	0	40	KDAB	
Oc1ncnc2c1ncn2[C@@H]1C[C@@H]2O[Sn](c3ccccc3)(c3ccccc3)OC[C@@H]2O1	263599598	JCEQFKTYTDQNAZ-ORCIIYJYSA-N	523.137	1.491	0	40	KDAB	
O=S1(=O)CC[C@@H](NN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425390	YQTMFZOYXQAMSW-VXGBXAGGSA-N	566.315	1.081	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575843	MAVHAMMZGHVZTD-FEVNIDIWSA-N	636.794	1.400	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576490	MKWQBAQIXUFXRT-ACHIHNKUSA-N	712.848	1.845	0	40	KDAB	
C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@@H](O[C@H]5O[C@@H](CO[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@@]3(C)[C@@H](O)C[C@@]12C	1529054892	SLAWMGMTBGDBFT-TXCNJXKBSA-N	801.024	1.120	0	40	KDAB	
COC[C@]12CN(C)[C@H]3[C@H]4[C@H](OC)[C@H]1[C@]3([C@H]1C[C@]3(O)[C@H](OC)CC[C@H](O)[C@@]4(C)[C@H]1[C@H]3OC(=O)c1ccccc1)[C@H](OC)C[C@H]2O	2061000067	CLNODDZVJJQWNZ-IVYMHSQRSA-N	615.764	1.743	0	40	KDAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C	20802947	FMQYXLJEYNAWBV-HSZRJFAPSA-N	521.618	1.506	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59837932	NMMPWGPJZLPMSN-UHFFFAOYSA-N	532.040	1.306	0	40	KDAB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@]24[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]24O)O[C@@H](C)[C@H]1O	118939772	WZCKFKUUQUMLRX-QXKQERCXSA-N	562.656	1.421	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	223094536	LMYCZTOUMUXLIS-UHFFFAOYSA-N	539.617	1.621	0	40	KDAB	
CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(C)=O)[C@@H]([C@H](OC)[C@@H]23)[C@@H]14	249687757	HRNMOJZLZGYPOJ-TWPJYWEESA-N	521.651	1.644	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOc3ccccc3C(=O)N2)cc1	643565666	GKWDYEIWOWDWDC-UIOOFZCWSA-N	558.635	1.779	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643568785	FWVLAVLNXLUZDY-PTCVRNIWSA-N	690.842	1.743	0	40	KDAB	
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643582563	LSCWMZWYALWDLM-DVJXIFHOSA-N	536.629	1.389	0	40	KDAB	
Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1	2037879941	YFWQPRRAAWETOT-HHHXNRCGSA-N	508.623	1.943	0	40	KDAB	
CN1[C@@H](CCC(=O)NCc2cccs2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(S(C)(=O)=O)cc1	22923121	YNZZRWITXYPELN-ZEYPLWLESA-N	504.678	1.621	0	40	KDAB	biogenic,in-vitro
CN(C(=O)COC(=O)/C=C/c1ccc(Br)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23080604	QPQQSJFRASNNSI-CSKARUKUSA-N	503.309	1.742	0	40	KDAB	
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1	32990946	RDMWREOABIGBJL-UHFFFAOYSA-N	514.025	1.508	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C(=C\c3ccccc3)n3nnnc3C)CC2)c(C)c1	33620332	LRHYSFLAEBFCRX-CJLVFECKSA-N	524.603	1.673	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Br)c3C)[C@@H]2SC1	97945316	POBGHJCKWKQXDA-LRDDRELGSA-N	523.312	1.193	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1	260719625	KPGYANAJXHKOLM-RPWUZVMVSA-N	517.648	1.822	0	40	KDAB	
O=S1(=O)C[C@@H](O)[C@@H](N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1	575423594	GOEDFBBNTFJLNM-ZWKOTPCHSA-N	543.472	1.121	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCN(C)CC2)c1	643550478	KVZJCPONTKJTPP-YRMRDQOQSA-N	606.805	1.480	0	40	KDAB	
CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)CC1=O	643566725	JBPRIAMVWXLPSS-MJGOQNOKSA-N	564.565	1.439	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566965	MZRDSYZHVRRREP-KJWPAHLWSA-N	527.666	1.301	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643571092	WHWUAOGVLWNXQJ-PUHATCMVSA-N	531.698	1.697	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	2060536	TWBVZYOVRACGTA-QQYUXEJHSA-N	575.599	1.996	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1	4726366	KKSCPVVDEJRVIO-SSGKUCQKSA-N	505.480	1.230	0	40	KDAB	
O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O	9013913	DVDBNSIIXPMOLO-FKBYEOEOSA-N	504.543	1.953	0	40	KDAB	biogenic
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(OC)cc1OC	19817881	IYIHBAVTOIHFAV-BJKOFHAPSA-N	524.574	1.957	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	67337050	SYYCXMPVBYGOTR-UHFFFAOYSA-N	518.684	1.980	0	40	KDAB	
C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O	79183219	BRYNWTBQIJXYJY-MTNREXPMSA-N	646.698	1.592	0	40	KDAB	biogenic
CC(=O)OC[C@@]12[C@H]3[C@H](OC(C)=O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]1(O)C[C@H](OC(C)=O)C[C@H]2O	118931968	KESMJXVKHKQATP-BRMGHCBBSA-N	564.628	1.346	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1	224240139	YYQOKXRIIMAQMV-UHFFFAOYSA-N	527.640	1.813	0	40	KDAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	224848864	WACCFRFGQCHDPW-FQEVSTJZSA-N	541.648	1.908	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1cccnc1)N1CCOCC1	253387569	XDIYADHIPATDPF-MRMRDUCNSA-N	512.613	1.164	0	40	KDAB	
CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253401030	MHRFEXLDIHLNOC-JGDRUYDSSA-N	613.737	1.336	0	40	KDAB	
Cc1nc(C)n(CC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)n1	643579115	UEBHQPOTSSEVHY-BJKOFHAPSA-N	528.654	1.240	0	40	KDAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N	6905083	YIYPLMISIXWRQG-FQEVSTJZSA-N	513.576	1.685	0	40	KDAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)N(C)C4=O)cc2)CC1	9444829	VYIGEDMXMQOGDF-UHFFFAOYSA-N	500.533	1.628	0	40	KDAB	
C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O	12887427	WNXSMSHXVZMJEO-QRQLOZEOSA-N	521.636	1.807	0	40	KDAB	biogenic
COCCN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12928748	XWEWZFJCNHPGPT-UHFFFAOYSA-N	507.576	1.724	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]c1=O	15940802	MEVBIPKZVWJOCH-UHFFFAOYSA-N	528.031	1.650	0	40	KDAB	
CCC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	16029482	PRGWPEPFIYKYJJ-JTKSJCOOSA-N	510.492	1.750	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1	103096167	PZCGTYFAEAMKMP-UHFFFAOYSA-N	590.636	1.678	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@@]2(O)[C@@H](O)[C@H](O[C@H]3C[C@@H]4[C@]5(CC[C@]6(C)[C@@H]([C@@]7(C)CC[C@@H](C(C)(C)O)O7)[C@@H](O)C[C@@]46C)C[C@@]54CCCC(C)(C)[C@H]34)O[C@H](CO)[C@H]2O)OC[C@@H](O)[C@@H]1O	253617685	LFJNPJBIDAQEHH-JHVDVYCOSA-N	827.018	1.644	0	40	KDAB	
CCN(C(=O)CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)[C@H]1CCS(=O)(=O)C1	2037884823	ONEJODCROGUQOC-WXIAYYLYSA-N	614.809	1.703	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@]34[C@H]5C[C@@]6(O)[C@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]5[C@H]6OC(=O)c5ccccc5)[C@H]([C@H]13)[C@H](OC)[C@H]42	2060990653	RIPYIJVYDYCPKW-WKCZBMNASA-N	687.783	1.219	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	62725241	AEDVJDMITHPZNB-FVQLTZBISA-N	525.532	1.506	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(C)C)CC2)cc1	100753923	RQRGENXAQWWVTN-YPCDYVTLSA-N	571.700	1.543	0	40	KDAB	
N=C(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O)N[N+](=O)[O-]	150339495	PLIRYKDNZJXVRL-GMQQYTKMSA-N	647.689	1.907	0	40	KDAB	
CO[C@H]1C=C2[C@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)[C@H](O)[C@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@@]3(C)[C@@H]12	253532251	NFGQKKGYMKRYEF-JTZOVPNCSA-N	813.035	1.550	0	40	KDAB	biogenic,in-vitro
Cc1ccccc1CCNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643562523	PAQJFTRGJKTFEI-PKTZIBPZSA-N	508.619	1.882	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	8693898	XEOFVYIHRSNDHR-BJMVGYQFSA-N	572.061	1.806	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)Cn4cc(Cl)cn4)[C@@H]3SC2)s1	10127198	PCITUFYFGPAUGA-WLTZMBQTSA-N	515.042	1.863	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc(C(F)(F)F)c1	19818658	KQRUTHBNQZDLEX-SFHVURJKSA-N	521.496	1.412	0	40	KDAB	
CC1(C)O[C@@H]2[C@@H](COC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	108447328	NCRHFKAHKVXKCU-XGAGZNTDSA-N	515.519	1.299	0	40	KDAB	biogenic
COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1	225085032	ZKQFQSOYFSILJW-UHFFFAOYSA-N	509.562	1.170	0	40	KDAB	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N1CCN(C)CC1	225473771	YCSCEDJRTHDWSN-UHFFFAOYSA-N	520.677	1.971	0	40	KDAB	
O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1cccc(I)c1	2617053	YOOLNQDBWMJCMB-UHFFFAOYSA-N	543.343	1.124	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1OC	13121560	RLGUJNPGZDYFDX-LJQANCHMSA-N	525.649	1.590	0	40	KDAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(O)cc2)CC1	20084245	WGCGQLYJJCCTLB-HSZRJFAPSA-N	505.535	1.507	0	40	KDAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(NC(C)=O)cc2)CC1	38784379	OZATXXPTICEFLP-HSZRJFAPSA-N	522.606	1.131	0	40	KDAB	
CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H]1C	52429263	WWWXDCNRNMZGEN-HLPXUDCQSA-N	546.698	1.566	0	40	KDAB	
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	71788354	PJENNOWAVBNNNE-CQJMVLFOSA-N	584.739	1.925	0	40	KDAB	
CCOC(=O)NC(=O)c1cn(CCCCCOC(=O)NCCCCCCNC(=O)OCCCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	95549397	STVRFCPWAHDRGL-UHFFFAOYSA-N	794.816	1.213	0	40	KDAB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(OC(F)F)cc2OC(F)F)c(=O)n1CC(=O)N1CCOCC1	97981648	HRAGAFCOZHQBFB-AEJSQRQASA-N	534.484	1.144	0	40	KDAB	
COCC(=O)N1CCN(C(=O)c2cc(C)oc2C)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C	643586894	IVRUWRSTTOARRJ-TWVZQSRDSA-N	512.644	1.776	0	40	KDAB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	3217636	VYNZIAXBPYHMEY-XCVCLJGOSA-N	521.617	1.380	0	40	KDAB	
COc1cc(NC(=O)c2cc3ccccc3cc2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OC)cc1Cl	4544945	UJPWFVGXQNDAFV-KWVKCVPZSA-N	519.934	1.941	0	40	KDAB	
CC(=O)Cn1c(S[C@H](C)C(=O)N2CCOCC2)nc2ccc(I)cc2c1=O	13770464	MBCKWVGFKZDEBT-GFCCVEGCSA-N	501.346	1.930	0	40	KDAB	
Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1S(=O)(=O)N(C)C	14361533	MWRXGLZXYGBYPT-UHFFFAOYSA-N	507.638	1.954	0	40	KDAB	
Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)NC6CC6)cc5)CC4)nc32)cc1	38144990	CWSURPCMVRAAII-UHFFFAOYSA-N	583.696	1.880	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](N[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)CC2	95848795	AQHVYUQJVBQVPK-SKRCNBSASA-N	505.589	1.477	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O	96021377	JDLZBMWBXMQQOQ-DEOSSOPVSA-N	550.540	1.036	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	224240863	HBJODXBHRWMAIH-INIZCTEOSA-N	501.652	1.594	0	40	KDAB	
COc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1OC	224434233	WOIAEAQEIFIEHS-VZUCSPMQSA-N	506.577	1.942	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)[C@@H](C)CC(N)=O)CC[C@H](OC)[C@@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	253388540	NXAZXMKMGPWXII-PSVCJWBRSA-N	699.842	1.586	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)CCN)CCCCOC[C@@H](O)[C@H]1O	643586403	PVIDCUJZZFDDJR-VDKIKQQVSA-N	511.635	1.409	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN2Cc3ccccc3C2)CCCCOC[C@@H](O)[C@H]1O	643586651	JTCBPZXMJBEFMY-QALYSUAOSA-N	519.683	1.641	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)CNC[C@@H](Cc2ccccc2)N(C)C)CCCCOC[C@@H](O)[C@H]1O	643586731	ZXACIKVJHGXCAC-IPVPECPMSA-N	578.795	1.388	0	40	KDAB	
CCn1c2ccccc2c2nnc(SCC(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc21	2751146	PTGZRXDICXWHGT-UHFFFAOYSA-N	500.562	1.921	0	40	KDAB	
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	3352134	AONOYSYHWGEEGR-UHFFFAOYSA-N	520.951	1.184	0	40	KDAB	
C[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	8692902	KDXCANJAXNUASH-IYICPGQYSA-N	521.617	1.932	0	40	KDAB	
CC(C)OCCCNC(=O)Cn1cc(I)c(=O)c(I)c1	12541992	WUIXLSRXKPNDQU-UHFFFAOYSA-N	504.106	1.989	0	40	KDAB	
O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	12651644	CXIBFANOJADLNG-WSTZPKSXSA-N	505.593	1.238	0	40	KDAB	
O=C(CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCCN12)N1CCOCC1	33821718	FNNKSNDAVJMNBK-KIZPDCLMSA-N	514.582	1.761	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	38139389	PFNGKXVLIPXAPA-UHFFFAOYSA-N	529.662	1.889	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	59838003	YMGFUFBFRKCABW-UHFFFAOYSA-N	560.492	1.797	0	40	KDAB	
NCCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@H](O)[C@H](O)[C@@H]1O	70665868	FYZDYCPLLSEHER-NXFKPKFZSA-N	545.541	1.120	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224332377	SIONZLLJPJWGQS-KRWDZBQOSA-N	513.613	1.960	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643569411	UGUXWQDSJZTQQY-QBUINJGOSA-N	651.761	1.798	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643569414	UKKMODKZYAAFLZ-LEWJYISDSA-N	503.644	1.015	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643576054	GKUAEJHVZIWQNV-CKGSRPNVSA-N	717.820	1.433	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC(O)CC2)c1	643584822	KQZWJFVAVAYOMC-YRMRDQOQSA-N	607.789	1.690	0	40	KDAB	
Cc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc2oc(=O)ccc12	1772715508	RBKHOTLLIQRMRT-CCDWMCETSA-N	665.748	1.401	0	40	KDAB	
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](C)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H]1OC(C)=O	5048978	MYVHPLAZTWAKDL-SIYXTPNISA-N	511.491	1.791	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	5521452	IEPCYJLTAGEWNI-WLHADGBQSA-N	602.589	1.642	0	40	KDAB	
COCCN(C(=O)CN(C)CC(=O)Nc1ccccc1SC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	13150478	RNBRFUZLIZKXTB-UHFFFAOYSA-N	506.629	1.047	0	40	KDAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)c1	14108921	NYOWJOUJPOOGAL-DEOSSOPVSA-N	516.551	1.328	0	40	KDAB	
Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	20638955	BTUYHYLZGBPRIX-QFIPXVFZSA-N	507.591	1.197	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1	224488158	MAKMKJLZYHGUEI-UHFFFAOYSA-N	561.629	1.727	0	40	KDAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cc3nonc3C)CCO2)ccc1Cl	585286365	OFZFPDBFZWULME-DEOSSOPVSA-N	506.003	1.723	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC1=O	607857622	BSMORZQXPRJUEU-FSHXTGGPSA-N	777.920	1.109	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC1=O	643564959	PHLPABHJKUMLEK-HJOGWXRNSA-N	571.719	1.758	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(C(=O)NCc3ccccc3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548890482	QEDUFOQZNYHOEI-PKTZIBPZSA-N	609.709	1.249	0	40	KDAB	
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750589	NZDCGZOHJTWGOX-KSFYWSHESA-N	801.024	1.120	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	3217946	TVBRHVQAYLFBEJ-UHFFFAOYSA-N	538.629	1.982	0	40	KDAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)Cc1nnnn1C[C@@H]1CCCO1)OCO3	20109427	SSMHBCNOIMBRRF-FQEVSTJZSA-N	511.583	1.147	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O	67902672	NZNHJGNBLPBNLU-QMTVIUOWSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	70697373	NCNYNAVURBMHFJ-OZLNXOMTSA-N	541.004	1.894	0	40	KDAB	biogenic
CC1(C)NC(=O)N(C[C@@H](O)COc2ccc(-c3ccc(OC[C@H](O)CN4C(=O)NC(C)(C)C4=O)cc3)cc2)C1=O	97999517	DMWTVOZXRFPKEG-WOJBJXKFSA-N	554.600	1.494	0	40	KDAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)ccc1-n1cnnn1	100337143	DZVVFSBUROFASJ-ZBLYBZFDSA-N	568.598	1.880	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	253501164	YAQKKPAGOYYBGW-NLMMERCGSA-N	596.630	1.229	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565555	IUXUHWHENFSDEO-GVUKDKGQSA-N	563.699	1.744	0	40	KDAB	
C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	643572406	BZZLTAXTEFUCRS-XGRCMKMKSA-N	508.575	1.032	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C	1903846530	MMTWXUQMLQGAPC-RKINDXONSA-N	740.928	1.442	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c(=O)n(C)c1=O	3363850	XGFBXPXGZTVNSP-UHFFFAOYSA-N	524.534	1.571	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	20756006	BNUMKFBPNOFSJR-IKOUWSNPSA-N	520.586	1.549	0	40	KDAB	biogenic
COc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)CC2=O)c(OC)c1	32992615	XXFJCXMFBGLWQX-OAHLLOKOSA-N	509.531	1.868	0	40	KDAB	
CCCn1c(N)c(N(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(=O)[nH]c1=O	38139839	CEXGPHJAUBMBAZ-UHFFFAOYSA-N	537.639	1.395	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3OC)CC2)cc1	59816485	DDFIKKKUBMMKEL-HSZRJFAPSA-N	537.617	1.350	0	40	KDAB	
O=C(O)c1cc(S(=O)(=O)O)cc(Nc2nc(Nc3cc(S(=O)(=O)O)cc(C(=O)O)c3O)nc(Nc3cc(S(=O)(=O)O)cc(C(=O)O)c3O)n2)c1O	95696890	YLSMKTQVBIUBLQ-UHFFFAOYSA-N	774.633	1.054	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	100971940	BMXPGGCERMBIJD-KRWDZBQOSA-N	534.572	1.542	0	40	KDAB	
COCCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103084499	LOWJLBYMAHMUJW-UHFFFAOYSA-N	552.617	1.232	0	40	KDAB	
Cc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C[C@H]4CCCO4)[C@@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@@]2(C)O4)no1	245229967	JAHWIZMBXJXWMQ-OATKXPLHSA-N	506.559	1.958	0	40	KDAB	
O=C1CN(C(=O)c2cnccn2)Cc2ccccc2OC/C=C\[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1	514287620	RDWKZBNRIUYBMC-CXIFFBKPSA-N	519.602	1.516	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)C=C([C@@H]4CC[C@H]5[C@]6(C)CC[C@@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7NC(C)=O)O[C@H]6[C@@H](O)C[C@]45C)CC[C@@H]3O2)O[C@H](CO)[C@H](O)[C@H]1O	1772592003	VWNXVBDTFXPNPS-RQTRHLKPSA-N	897.113	1.089	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c(Cl)c1Cl	8628714	ZUJKDHNUVLCZJT-SNVBAGLBSA-N	523.337	1.575	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C)C(=O)O	8790976	BOWCLTOSMALEFJ-YSSFQJQWSA-N	512.588	1.301	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C(=O)N1CCOCC1	10288744	GSICQLAYPYEAPU-UHFFFAOYSA-N	523.633	1.171	0	40	KDAB	
COCCN(C(=O)COC(=O)Cc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13006034	SXMDPKXYMPBQIV-UHFFFAOYSA-N	500.939	1.586	0	40	KDAB	
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1F	13150495	CNUYQOBMCVUFKP-CYBMUJFWSA-N	518.523	1.343	0	40	KDAB	
NS(=O)(=O)c1ccc(N2C(=O)C[C@@]3(CSc4[nH]c(=O)sc4[C@H]3c3ccccc3O)C2=O)cc1	32594750	AKQCJONANXRDRJ-IERDGZPVSA-N	503.583	1.977	0	40	KDAB	
CC1(C)[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@@H]2S1(=O)=O	35877421	BVLVIFMBEXJMPU-PMVMPFDFSA-N	508.600	1.646	0	40	KDAB	biogenic
CCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	67337057	IGGIDRDQFJDMTL-UHFFFAOYSA-N	532.667	1.507	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O	67903244	CMZFNIMQBCBHEX-HKRKVKQASA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
COc1cc(C(=O)O[C@H](CN2CCOCC2)Cn2nnc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC	72266825	KUUKBTYSAHIXTN-QGZVFWFLSA-N	574.587	1.401	0	40	KDAB	in-man
CCOC(=O)C1=C(Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccccc1	100227235	AKBNTCWQSDMOMS-HNNXBMFYSA-N	531.367	1.410	0	40	KDAB	
O=C(OCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	104328828	UWWYIPWDWNMXHN-LEXUFVLRSA-N	560.603	1.125	0	40	KDAB	
CC(=O)OC[C@H](CN(C)C(=O)c1c(I)c(N)c(I)c(C(=O)NC[C@H](COC(C)=O)OC(C)=O)c1I)OC(C)=O	150342742	HEHGJKXXZCQSIS-CABCVRRESA-N	887.200	1.874	0	40	KDAB	in-vitro
CC1(C)S[C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@@H]1NC(=O)N[C@@H]1N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2SC1(C)C	150379379	QOHBYLZHUZCIDD-NQRCJADKSA-N	660.734	1.655	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(O)nc(O)nc3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409037397	NKSDSEKASVLJRH-RPXHZFJKSA-N	542.570	1.501	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CCC(=O)N[C@H](C(C)C)C(=O)N1	643564808	HJUMPPMZGNEWNF-PPJWLVRDSA-N	537.661	1.993	0	40	KDAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	59837869	AYKNPYIFWNJKEQ-UHFFFAOYSA-N	536.459	1.951	0	40	KDAB	
CCOC(=O)[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c1cccc2cc(C)cnc12	100031834	DWOYDKNIEZWRDH-AHRSYUTCSA-N	577.664	1.466	0	40	KDAB	
O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccc(OC(=O)C[C@H]4SC(=O)NC4=O)cc3)c3sc(=O)[nH]c3S[C@H]12	245225849	UHDMFVBATFETCL-QIPRKJAZSA-N	615.667	1.641	0	40	KDAB	
CSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2F)[C@H]1C(=O)N[C@@H](Cc1cccs1)C(N)=O	4200954	ZBDUDCJIQNQIKE-LNLFQRSKSA-N	525.603	1.693	0	40	KDAB	biogenic,in-vitro
C[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	6005096	ASQGMHZTUYEPCB-PXNSSMCTSA-N	512.563	1.300	0	40	KDAB	
CCOC(=O)CC[C@@H](NC(=O)c1ccc(C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc1)C(=O)OCC	6546177	BNPGUMJQSQOFPI-WOJBJXKFSA-N	536.578	1.696	0	40	KDAB	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)N[C@@H]1CCS(=O)(=O)C1	12533118	DMSXKBXENFJEOC-OAHLLOKOSA-N	500.624	1.307	0	40	KDAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1	20031300	AREXCUWCWOFCGY-UHFFFAOYSA-N	504.030	1.926	0	40	KDAB	
COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	38143540	FYWCDZKQBWSMDD-DORORPIXSA-N	506.548	1.045	0	40	KDAB	biogenic,in-vitro
Cn1c(=O)c2c(nc(Br)n2C[C@H](O)COc2ccc(I)cc2)n(C)c1=O	97949547	GTLCCWBSIAFNSL-JTQLQIEISA-N	535.136	1.241	0	40	KDAB	
Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)s1	97961381	HFLFEECTEDRQDA-UHFFFAOYSA-N	541.662	1.702	0	40	KDAB	
CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)CCC(=O)O)C2=O)cc1	100723440	USTXHSQPSMHCTD-NRFANRHFSA-N	531.587	1.691	0	40	KDAB	
COc1ccccc1NC(=O)c1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1	103052352	ODGUWOJPSLZEDG-UHFFFAOYSA-N	566.596	1.780	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)c2ccccc2)NC1=O	150344954	NZNSTOHSZZLSNP-OVFHTNFKSA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NC[C@@H]2CCCN2CC)CCC1=O	643578704	NNPRMWOWNNIIGF-ACIOBRDBSA-N	529.682	1.547	0	40	KDAB	
COc1ccc(-n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc3ccc(O)cc3c2=O)cc1OC	3328180	VMYFQLBIQIITNO-OAHLLOKOSA-N	519.601	1.846	0	40	KDAB	
Cc1ccc([C@H](C(=O)NCCC(C)C)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941094	ICIBDAXAKUEDSO-OAQYLSRUSA-N	516.668	1.811	0	40	KDAB	
COc1cc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2cc1OC	20109364	DCBKHFLPCHGXLV-UHFFFAOYSA-N	523.594	1.898	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(=O)[nH]c1=O	24765673	NXARSERWINQDIJ-UHFFFAOYSA-N	520.656	1.158	0	40	KDAB	
CCn1nc(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c2ccccc2c1=O	38139557	VNTSSYMEEBMKKA-UHFFFAOYSA-N	546.584	1.743	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	150663795	RPBOFHGWCDGAEG-LKIBCVMDSA-N	727.690	1.751	0	40	KDAB	
CCOC(=O)C1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1	409028800	STKQDTGKIKNRLL-HSZRJFAPSA-N	549.671	1.552	0	40	KDAB	
COc1cccc(CN2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](CC(C)C)C(=O)NCCOc4ccccc4C(=O)N3)CC2)c1	618017315	JCDTUKLCJWIFHP-UIOOFZCWSA-N	579.698	1.568	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)N2CCCc3ccccc32)c1OC	3333127	PDGVFLZOPCAVGA-UHFFFAOYSA-N	504.561	1.861	0	40	KDAB	
COc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)N3CCC(C(N)=O)CC3)c2cc1OC	13634611	ZWPBKCVOYGHXPG-UHFFFAOYSA-N	500.939	1.547	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(CN3CCN(CN4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)C3=S)CC2)cc1	29747661	HQUUVYDFKMGRHN-UHFFFAOYSA-N	606.840	1.434	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1OC(=O)COc1ccc(Cl)cc1C	59603622	RWHQILFVSQZCFE-PBZQEHOFSA-N	529.926	1.227	0	40	KDAB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C1	67337150	RDXGNATZOJSSKF-QGZVFWFLSA-N	524.043	2.000	0	40	KDAB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	95569012	VLADPPSLBRZDCQ-UHFFFAOYSA-N	544.051	1.516	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C	101462082	SDEUKKPNZRMQFU-UHFFFAOYSA-N	566.667	1.011	0	40	KDAB	
COC(=O)[C@H]1O[C@H](Oc2cc(O)cc(I)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	140487162	OASKASZRFUXVAA-ILYVXUQDSA-N	552.270	1.069	0	40	KDAB	
CCS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc21	224312739	KRWRNLKCYAZDFD-QFIPXVFZSA-N	523.633	1.583	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCOCC4)C[C@H]3C(=O)NC[C@H]1O2	253399264	IRNQTDMQGWLQIS-GEMTWJNPSA-N	557.692	1.515	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)Cn4c(C(F)(F)F)nc5ccccc54)CC3)OC[C@]2(C)O)n(C)c1=O	257293256	QOSXUQNMBQSCBU-BVZFJXPGSA-N	589.575	1.576	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1C	514382722	BHBMHHHHYAZWMT-UHFFFAOYSA-N	501.577	1.783	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565409	FUFASADESLSQAA-RBJSKKJNSA-N	577.682	1.606	0	40	KDAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC1=O	643567537	KPUVFZLQSUHDNG-XZOQPEGZSA-N	529.682	1.597	0	40	KDAB	
Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C	3426927	TYMJBTBWICUXGT-UHFFFAOYSA-N	514.560	1.301	0	40	KDAB	
O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12)c1cccs1	4147791	OVGAWTLIYAAUCQ-RAUXBKROSA-N	520.593	1.049	0	40	KDAB	biogenic,in-vitro
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3	15954337	TXIKBQYWWSLPJI-XDBZFTIUSA-N	525.602	1.355	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	15957422	STXHGNGMSKBWBW-KAMWDBRHSA-N	512.950	1.196	0	40	KDAB	biogenic
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70701335	MSTHUMOXXUDDCG-FKBYEOEOSA-N	538.626	1.787	0	40	KDAB	biogenic
CCc1ccc(N2C[C@H](C(=O)OCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1	72101856	SWPVUDKRCAUOMY-HXUWFJFHSA-N	533.585	1.679	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1F	224331561	FNWCPUFXFSXFSV-UHFFFAOYSA-N	517.576	1.711	0	40	KDAB	
CC[C@H](C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@@H]3[C@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)[C@@H]12)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC	242547828	KUVBGCMJMQPNOD-YLGYTMPQSA-N	793.948	1.607	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1	260888246	KNFAPQYINOGSRH-GOSISDBHSA-N	541.648	1.066	0	40	KDAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(O)c(I)c2)C1=O	408549264	RRJWJYMHDSBAHU-RUDMXATFSA-N	528.040	1.667	0	40	KDAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cc(OC)cc(OC)c3)C2)cc1	408664701	DDMZXKZTIMAUMD-GOSISDBHSA-N	527.530	1.946	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585279591	DKPSHTKRORGPPO-PMERELPUSA-N	568.671	1.887	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565239	DXZPONZSZNGEBA-UIOOFZCWSA-N	591.709	1.996	0	40	KDAB	
CN1CCC(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1	643578352	ACWAPSMYQAHWOF-LOSJGSFVSA-N	516.683	1.673	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OCc2cccc(Br)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5221434	BAWKASVQYQUJCP-ZPAWYTMASA-N	516.341	1.622	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(-c4ccc(F)cc4)cnn3c(=O)[nH]2)cc1	15107458	XHIHCUMJOJXHNO-UHFFFAOYSA-N	502.553	1.322	0	40	KDAB	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1	97972453	XIJHWXXXIMEHKW-BPXGVECKSA-N	571.678	1.193	0	40	KDAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N(CC(=O)OCC)c3ccccc32)C(C(=O)OCC)=C(N)O1	101341825	LJLFTXAZEQLAHT-SANMLTNESA-N	530.530	1.368	0	40	KDAB	
Cc1cccc(-n2c(O)c(C(c3ccccn3)c3c(O)n(-c4cccc(C)c4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)c1	103770513	IKXMQDXIKSLZEO-UHFFFAOYSA-N	525.521	1.968	0	40	KDAB	
CN([C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O	260890933	VHUFZJSOULIFPH-QFIPXVFZSA-N	509.650	1.989	0	40	KDAB	
O=S1(=O)C[C@@H](N(c2ccc(NS(=O)(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)[C@@H](O)C1	575426561	VRORDCJPERPHEP-YADHBBJMSA-N	522.626	1.841	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Br)cnn4C)[C@H]3SC2)s1	2752093	NQKUQAIUTHXBRS-LKFCYVNXSA-N	531.439	1.487	0	40	KDAB	
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(Cc5ccccc5)c(=O)n(C)c4=O)cc3C2=O)cc1	3345875	NPMCTLTYMQSSAY-UHFFFAOYSA-N	595.568	1.976	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6547125	ODOGOUXBLKIJOP-FQEVSTJZSA-N	511.560	1.900	0	40	KDAB	
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	13131587	DQGTVJBAUPFYTB-DEOSSOPVSA-N	517.007	1.957	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59851887	XQYVVQFDDWWHLH-UHFFFAOYSA-N	537.660	1.577	0	40	KDAB	
C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700458	ZYTFDDRXVBEMTK-FQEVSTJZSA-N	519.620	1.002	0	40	KDAB	
COc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224331786	VEXUABMTZYFBAJ-SFHVURJKSA-N	525.649	1.829	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2	253400441	LGCWEKXHNMBCHF-CEKSUIHGSA-N	592.665	1.656	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1	260746375	RKZZDXCXYPLSNS-IBGZPJMESA-N	509.650	1.807	0	40	KDAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	409262191	FSQQYVKZRAGJRB-DEOSSOPVSA-N	601.659	1.962	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	575372286	PEDLHTCZTNWMIO-MIRGCEKCSA-N	945.877	1.615	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccc(F)c1)CC2	1548890618	UHULAYLEUJNUSX-RTWAWAEBSA-N	503.596	1.883	0	40	KDAB	
COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	5460397	LUFBUJPRIKZREA-FGZHOGPDSA-N	524.530	1.947	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1O	67903594	DRZYJIXQEOTQDA-SCHGHJAJSA-N	666.849	1.405	0	40	KDAB	biogenic,in-vitro
CC(=O)Nc1ccc(N2C(=O)c3cc(S(=O)(=O)O)cc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1	95471060	VWHVIWXYSKCZGP-UHFFFAOYSA-N	505.486	1.674	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(C)c(C)c2)cc1	100229951	JIBUTEYDQPLIEH-QFIPXVFZSA-N	551.503	1.789	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)C[C@H](O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	123306149	TVKZNMSOZWTGQU-OQGWKEEASA-N	554.633	1.426	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	225384068	SUSGCCSWCMUQOA-UHFFFAOYSA-N	553.659	1.308	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585280516	OZGXGUVYEQUNLL-LJAQVGFWSA-N	527.662	1.807	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](O)CO)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@]3(C)CC[C@@H](O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](CO)O[C@@H](O[C@@H](CO)[C@H](C)O)[C@@H](O)CO)C(C)(C)C3=CC[C@@]12C	2061000069	CVYYTHLRDPCZHD-PMLWHBONSA-N	993.279	1.806	0	40	KDAB	
COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1	12631952	IHQIAKWCCBIDNX-UHFFFAOYSA-N	502.593	1.267	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)CC2)cc1	66128638	SUCQDMFRLDBTSJ-BGYRXZFFSA-N	579.697	1.808	0	40	KDAB	
CC(=O)O[C@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C	257505960	ORKLEZFXASNLFJ-DAMZRLDRSA-N	943.996	1.628	0	40	KDAB	
CN(C)S(=O)(=O)N1CCOC[C@H](C(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)C1	643564015	VRFCAFLMQXKGDT-JOCHJYFZSA-N	566.721	1.359	0	40	KDAB	
C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	2061000985	SGEKLQMLYWFVFY-WEOZICNLSA-N	721.929	1.963	0	40	KDAB	
Cc1ccc(OC[C@@H](O)Cn2c(N[C@H](Cc3ccccc3)C(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1	9292801	QLFOJUMFXKRGIQ-AZUAARDMSA-N	507.547	1.290	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n2CC	15280264	BSVYXTGZTCEZHM-OAHLLOKOSA-N	502.684	1.824	0	40	KDAB	
NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1	20031894	VTAAUICCWTXJLH-HNNXBMFYSA-N	516.439	1.814	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC	20611912	FDSIATCTSUDLES-OZLNXOMTSA-N	506.559	1.241	0	40	KDAB	biogenic
CN1CCN(C(=O)/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)NC(=O)c2ccccc2F)CC1	25180719	UUIDUDBDMJQGPA-JWGURIENSA-N	513.595	1.980	0	40	KDAB	
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C)ccc2N(CC(=O)O)CC(=O)O)c1	64633983	BOMWLYNXTGNSSE-UHFFFAOYSA-N	504.492	1.712	0	40	KDAB	in-vitro
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	72142601	BBHLUNQPGMASDL-AWEZNQCLSA-N	580.468	1.863	0	40	KDAB	
C[C@@H](N)C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc2ccccc2c1	150342227	VJBAWMTTYDQWBO-LWRGIZIASA-N	817.992	1.754	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	224330755	ODZKUASNSKKZBC-UHFFFAOYSA-N	523.633	1.301	0	40	KDAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21	1534612824	LVUDXCCEOMEPOO-XJUOHMSHSA-N	526.619	1.335	0	40	KDAB	
CSCC[C@@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)O	4544734	RDQXFDPVOCUTTL-KZNAEPCWSA-N	563.458	1.802	0	40	KDAB	
COc1ccccc1-c1nc(SCC(=O)Nc2ccc(C(N)=O)cc2)c2c(=O)n(C)c(=O)n(C)c2n1	9517554	GYTIUZISCPLXEY-UHFFFAOYSA-N	506.544	1.533	0	40	KDAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc(OC)c1	13150515	QVADQTHGKSZEFV-HSZRJFAPSA-N	507.595	1.463	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C	20031639	ZOQOIDYNVGICTH-QFIPXVFZSA-N	517.629	1.857	0	40	KDAB	
CC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)C=C2CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]3(C)[C@@H]2CC1	67903363	ARNXUXYPWUWNPP-RXENORMESA-N	526.667	1.675	0	40	KDAB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1	103087216	OUDTYPYHTZOXGN-FQEVSTJZSA-N	543.623	1.839	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	106382091	QBFVABHSGIIDPA-UJMXGEILSA-N	502.314	1.484	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)COC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)c2)C[C@H](C)O1	150508475	WHSPVTQWAMOMHP-MYGLTJDJSA-N	652.744	1.865	0	40	KDAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223442992	PLTKCILATNILQC-HXUWFJFHSA-N	505.593	1.786	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643566494	FIQLKZHLPSNGNB-VTKNMLBTSA-N	527.666	1.300	0	40	KDAB	
CN(C)CCCNC(=O)[C@@H]1CCC(=O)N(C)CC(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643569990	XOWONVLYJIQADX-NOZRDPDXSA-N	551.688	1.554	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2[nH]1	4715040	BLEBKZBLEMTVLI-DJCPXJLLSA-N	550.517	1.457	0	40	KDAB	
COc1c(OC)c([C@@]2(O)C(=O)N(C)c3ccccc32)c2c(c1[C@]1(O)C(=O)N(C)c3ccccc31)OCO2	17175837	FWPKQBNHQLCXLY-MKPDMIMOSA-N	504.495	1.857	0	40	KDAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccccc2)CC1	19973392	VIMOYCLPGNMGEO-DEOSSOPVSA-N	503.563	1.797	0	40	KDAB	
CCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1	67337484	JFSAXNPLCCSWOV-UHFFFAOYSA-N	502.641	1.335	0	40	KDAB	
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@H]3[C@]4(CO4)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	150425750	LUTPIRPNUNHFEV-RJSYXHAUSA-N	652.690	1.863	0	40	KDAB	biogenic,in-vitro
Cc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224487226	VNWNXKSKGXEEFN-UHFFFAOYSA-N	539.676	1.757	0	40	KDAB	
CS(=O)(=O)c1ccc(CN2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4ccccc4F)cc3OC[C@]3(C[C@H](O)[C@H](O)C3)C2)cc1	253399940	KDAAEKRGWJPJFI-TXMFPYTGSA-N	634.748	1.932	0	40	KDAB	
COc1cc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc(OC)c1O	524731101	KJJUBDGGBVZVQM-HHXXYDBFSA-N	537.569	1.857	0	40	KDAB	biogenic
CN(C)CCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643567232	VWLUBDRQDRLDAS-AFESJLNVSA-N	563.699	1.744	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643574685	JYEGBIHFPPKLEK-VABKMULXSA-N	552.628	1.417	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@H]5C[C@@]6(O)[C@H](OC)C[C@@](OC(C)=O)([C@@H]([C@H]13)[C@H](OC)[C@@H]24)[C@@H]5[C@H]6OC(=O)c1ccccc1	1529054677	PHDZNMWTZQPAEW-IZLKPVJJSA-N	629.747	1.677	0	40	KDAB	
CCN(CC)CCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	6193101	PAGKLYPLPSRUDY-UHFFFAOYSA-N	503.669	1.997	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13302410	JAFHRXBUMPKHBC-WXRGLTTHSA-N	520.318	1.806	0	40	KDAB	
CC(=O)N1CCN(C(=O)NC(C)(C)c2cccc(C(C)(C)NC(=O)N3CCN(C(C)=O)CC3)c2)CC1	19075302	JFROKORTSUWPJD-UHFFFAOYSA-N	500.644	1.904	0	40	KDAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(Cc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc1OC	20562668	BGVBDYBPGYNSKL-UHFFFAOYSA-N	523.502	1.008	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1	222575337	RMRZQRFUBBPKJZ-UHFFFAOYSA-N	509.650	1.889	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2cccc(Br)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	254620582	SSPAAUHWLHOCSS-YHDCXSKOSA-N	561.407	1.819	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585279930	HQVHIHMNVBYWCL-LJAQVGFWSA-N	590.624	1.775	0	40	KDAB	
Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(CC3CCCCC3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548891124	XPXIPRVGWLVNTK-PKTZIBPZSA-N	572.732	1.920	0	40	KDAB	
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1C	3391389	ZRCKEEUPFRUPHS-UHFFFAOYSA-N	514.560	1.230	0	40	KDAB	
CCC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	35393626	PRGWPEPFIYKYJJ-LSDVVMKASA-N	510.492	1.750	0	40	KDAB	
COC(=O)CSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1	223938169	JLIUYBGPZAJXJZ-UHFFFAOYSA-N	502.596	1.759	0	40	KDAB	
CO[S@](=O)(=S)CCNC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	252438310	WWCPISCDFZLLAA-QTLVTDQISA-N	743.012	1.989	0	40	KDAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(C1CCOCC1)C2	514287427	BFKXQXWJDWFVKV-QIXRUXETSA-N	550.656	1.908	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6546682	UGEONMLNLJDJTN-OAQYLSRUSA-N	557.560	1.802	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1	23074470	NCTFAADRFHAYPO-INIZCTEOSA-N	516.576	1.682	0	40	KDAB	
COCCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	38139880	ZBCWKQRUNCCMLC-UHFFFAOYSA-N	544.682	1.816	0	40	KDAB	
CC(C)[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1	82175434	SKZOFFRZXFEXIO-SAYRZEODSA-N	688.823	1.148	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257659675	YFGQJKBUXPKSAW-XTDWEMMMSA-N	969.128	1.642	0	40	KDAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cncn3)c2)C[C@](O)(COc2ccc(F)cc2F)C1	585282426	JXRNKJYLVZPGFF-AREMUKBSSA-N	531.560	1.736	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2CCN(C(=O)CSC)[C@@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)c1	4200976	CYYWVJHTSZDEEA-BJLQDIEVSA-N	519.649	1.424	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCC=C2C	15721725	VZNGGRNDYFVBNG-QQMNAOGKSA-N	508.575	1.883	0	40	KDAB	
COCCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38139363	BXJXHVBGUNBBIK-UHFFFAOYSA-N	522.345	1.705	0	40	KDAB	
CC[C@@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)n1nc(C)c(Cl)c1C	97945439	NXNMTXPUPIYCKG-PLQHRBFRSA-N	527.032	1.159	0	40	KDAB	
Cn1cc(C(=O)N2CCN(c3ncccn3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	102920313	VEAOMCYKTAFHKS-UHFFFAOYSA-N	531.042	1.337	0	40	KDAB	
COc1cccc(CC2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c1OC	136531873	RMFKOAZRDBNMJJ-IEBWSBKVSA-N	508.575	1.564	0	40	KDAB	
CC(C)c1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224470549	WMNVLDSACUBWEI-UHFFFAOYSA-N	539.676	1.792	0	40	KDAB	
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCC[C@@H](O)[C@@H](C)N	253612037	TYKXJOPGAYUOGL-FOOJFARMSA-N	507.709	1.722	0	40	KDAB	biogenic,in-vitro
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643564345	DPBMBFVGTXHWAA-WIOPSUGQSA-N	540.665	1.266	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1	643571757	HYIBOXNUXOVESZ-GSDHBNRESA-N	565.715	1.894	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4nccn4C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613482	USNHUNJFKVQKKH-FJIJXJHWSA-N	527.647	1.312	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O	12900194	FLQDZHLQGDTWHJ-UHFFFAOYSA-N	510.975	1.953	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1	35678174	IUTVAJOSFKUTOP-CCNVSQGKSA-N	515.386	1.200	0	40	KDAB	
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	59930398	UKTBYEZMJKFQBL-UHFFFAOYSA-N	538.022	1.813	0	40	KDAB	
CCCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337616	XEOBYASQWUKYTO-UHFFFAOYSA-N	523.059	1.795	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O	67913199	YINNEDVQUNYQEZ-LSKGJNDQSA-N	664.833	1.613	0	40	KDAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)NC2(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCCCC2)cc1	70670040	IRISLIVIXHVISZ-VXKWHMMOSA-N	563.721	1.100	0	40	KDAB	biogenic
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876754	XNGKOOBZXZHYNC-BZZOAKBMSA-N	566.683	1.685	0	40	KDAB	
CC(C)(C)CCN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]2C1)O3	253395972	CXBFXOONGRHILV-AYEXWZOKSA-N	550.722	1.613	0	40	KDAB	
CC(C)c1ccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(S(=O)(=O)c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1	575421266	OATYZJWKZSTSQS-ASDGIDEWSA-N	630.832	1.960	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)OC(C)C)[C@H]1c1ccc(O)cc1	2051462	IVINJXFEYCJXJU-DTBYZMGXSA-N	522.579	1.740	0	40	KDAB	
COCCN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3364850	FHRZKFFDFCTRSM-UHFFFAOYSA-N	521.603	1.828	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	12467561	YZOFSRPKQMRCRF-LJQANCHMSA-N	515.548	1.648	0	40	KDAB	
Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O	20235243	QHFGRJQHXHHEFA-UHFFFAOYSA-N	514.945	1.826	0	40	KDAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	224303621	XIABRPKQNBBWNT-UHFFFAOYSA-N	537.660	1.609	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C	253501974	SKHJNNFXCKTDBG-LJSRLYKPSA-N	708.886	2.000	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)N(C)CCc2ccccc2)NC(=O)c2ccccc2OCCNC1=O	643564356	FTJBYWYJWXQODG-JTJYXVOQSA-N	508.619	1.916	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)c(=O)n(C)c1=O	3261676	DWMMYDQFHROWSP-UHFFFAOYSA-N	546.989	1.106	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)[C@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O	4177585	MACRWUZSSFLAMW-JKHKIBDKSA-N	585.702	1.852	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccco1	6546256	ZNVQQSLWBBWNDZ-CVDCTZTESA-N	526.550	1.370	0	40	KDAB	
CC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)O	8876351	ARWAPRUODJTGAG-QZTJIDSGSA-N	514.535	1.611	0	40	KDAB	biogenic
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1Cl	19818717	RJBMARNALRGCCB-IBGZPJMESA-N	501.971	1.355	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	38143375	FCNMMPVIARAQRU-GYHWCHFESA-N	554.672	1.149	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2ccccc2C)n1C	101575237	GDZJPAKEKJDVRZ-HCSYDALLSA-N	564.617	1.451	0	40	KDAB	
CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2	103063336	PVNFVXPDEWXAMA-UHFFFAOYSA-N	530.024	1.265	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224237284	VUQOAOPZVICGMD-HXUWFJFHSA-N	501.602	1.816	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCN(C)CC4)C[C@H]3C(=O)NC[C@H]1O2	514287410	ZFNFLWPHBSZNOO-CFJXPYFLSA-N	570.735	1.430	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643569235	OVNFYJCERVZMJF-OZXSUGGESA-N	554.644	1.761	0	40	KDAB	
Cn1c(=O)c2c(nc(SCC(=O)N3CCOCC3)n2Cc2cccc(I)c2)n(C)c1=O	678336	OICNNHLJSWYRRT-UHFFFAOYSA-N	555.398	1.038	0	40	KDAB	
CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12	2110991	ACEFRWYFDOKEAJ-XHCCPWGMSA-N	513.591	1.510	0	40	KDAB	biogenic
CN[C@@H](C)C(=O)N1CC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O	4221922	DBPUEMVOQYHREZ-PWZKMPOXSA-N	589.681	1.892	0	40	KDAB	biogenic,in-vitro
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1	13000149	PONLSSFFGYSGDZ-HNNXBMFYSA-N	500.533	1.436	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	17296826	GKKBSHDMQDFOHQ-DGKKPVBHSA-N	513.597	1.733	0	40	KDAB	
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1OC	35973840	SETSEABWUPBDRG-QJOMJCCJSA-N	585.683	1.532	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@H]12)OC(=O)[C@H]3CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	70665982	XNZOOKULEFZSKF-XBGDGDIBSA-N	556.656	1.716	0	40	KDAB	biogenic
Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@@H](C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1	100071386	MWIASLNTAGRGGA-IBVSPSLBSA-N	554.779	1.520	0	40	KDAB	in-vitro
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3c(OC)cccc3OC)C2)c(OC)c1	408656641	NRTIPQNJAIXRQF-AWEZNQCLSA-N	501.492	1.396	0	40	KDAB	
COc1cc([C@@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	524731407	WHFVVQOERJJWEF-HLAWJBBLSA-N	599.662	1.617	0	40	KDAB	biogenic
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1O	605858013	AYWNHWGQTMCQIV-AFTXDMSOSA-N	827.018	1.295	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@H]3C[C@]4(C)[C@H](C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]34)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	618072174	JBGYSAVRIDZNKA-JYSVRXELSA-N	801.024	1.359	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(C)(C)C(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643568012	FIWKIQBMQAESQO-CUYJMHBOSA-N	563.699	1.790	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643569131	MFRVKYMDBICIPY-ABYGYWHVSA-N	591.709	1.996	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](C)CCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O	1086455178	AIPPDKJKKDOWTJ-ZOLRUJEBSA-N	621.820	1.952	0	40	KDAB	biogenic
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	1565750554	DVUHIYFVLVFKRW-SYJFBVMGSA-N	801.024	1.120	0	40	KDAB	
CC(C)=CCC[C@@](C)(O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](O)CO)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@]3(C)CC[C@@H](O[C@@H](O[C@H](CO)[C@H](C)O)[C@H](CO)O[C@@H](O[C@@H](CO)[C@H](C)O)[C@H](O)CO)C(C)(C)C3=CC[C@@]12C	2061000072	CVYYTHLRDPCZHD-ZQPMNQSESA-N	993.279	1.806	0	40	KDAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCC(C(N)=O)(N5CCCCC5)CC4)ccc3c2=O)cc1	4019803	CAORJLKUZHPCHE-UHFFFAOYSA-N	519.602	1.693	0	40	KDAB	
CSCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)N1CCC(C(N)=O)CC1	4260512	GYMFXOIEFUJJOJ-RVRKADHMSA-N	538.736	1.974	0	40	KDAB	biogenic,in-vitro
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2C(=O)c3cccc(N)c3C2=O)C(C)C)c1	13102806	JIUJSEYCZMAKDL-FQEVSTJZSA-N	500.577	1.877	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	22827153	ZTFZYBWUXDONAY-UHFFFAOYSA-N	503.577	1.949	0	40	KDAB	
COc1cc(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1O	100745852	KPTJPGDTFBINCW-IRXDYDNUSA-N	620.444	1.866	0	40	KDAB	
CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1	103070719	FIPVZIYDLOTNLF-HNNXBMFYSA-N	541.475	1.973	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	150399479	JOURHOHBSOYHNQ-BBRRUDOUSA-N	788.947	1.276	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224384528	VARWLDVEVFVCFI-UHFFFAOYSA-N	567.686	1.700	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(CC2CC2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253396878	FCYCJAJVJQMOFE-AHMOOEFLSA-N	520.623	1.738	0	40	KDAB	
Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2	257240042	HRUJHTIOFABAML-DFBJGRDBSA-N	519.610	1.813	0	40	KDAB	
Cc1c(C)[n+]([O-])c([C@@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)N(C)C(=O)N(C)C2=O)n1Cc1ccccc1	524733032	MXUOXVQQAQTYCF-QFIPXVFZSA-N	530.585	1.776	0	40	KDAB	
COc1cc(CNC[C@@]2(O)CCCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585274432	WLLUTLSWARNSSA-SANMLTNESA-N	500.644	1.383	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565055	AHFCREGWGAFOMT-DHLKQENFSA-N	529.682	1.549	0	40	KDAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c1	643568234	RRJPCZZELIODMG-NCDOUPKDSA-N	616.715	1.918	0	40	KDAB	
O=C(CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCc1ccco1	4790089	FQEQFUDJBMEQEX-UHFFFAOYSA-N	515.570	1.812	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Cl)cn4)[C@@H]3SC2)s1	13847973	LEANVNGAASSOPT-AKNJWJSBSA-N	501.015	1.788	0	40	KDAB	
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	67910879	KSENPDOZJGRJHR-GPWVBDSWSA-N	722.869	1.548	0	40	KDAB	biogenic,in-vitro
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(O)cc3)n2)o1	100290865	YKLCRQYTCZYFCM-JYFHCDHNSA-N	567.647	1.535	0	40	KDAB	
COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1	102719572	XICXMZPOPYVHPT-UFINEARASA-N	549.646	1.673	0	40	KDAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	108875854	DLCBCMSIVBFVLI-UHFFFAOYSA-N	532.438	1.875	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O	224484988	RNONGIXFYKWTDT-KRWDZBQOSA-N	529.612	1.196	0	40	KDAB	
CC(C)=CC[C@H](O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	253534342	UKJMISFXPQGTPF-NWKLUFASSA-N	666.849	1.366	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@@H]1C=CCCNC(=O)C=C[C@@H](C(C)C)NC1=O	958322907	AXZPAGVFIVOODG-XJEPWFOTSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6547146	RQTSMHFAOQHDBX-SFHVURJKSA-N	503.512	1.932	0	40	KDAB	
Cc1cccc(OC[C@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1	10386241	GMDKLSXUNLEOON-OAQYLSRUSA-N	504.591	1.509	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1C	12934576	DGHAVKVPVTVXHE-UHFFFAOYSA-N	527.690	1.461	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3)o2)c(N)n(Cc2ccccc2)c1=O	13041745	LBYKOBSMALLHFY-UHFFFAOYSA-N	507.528	1.839	0	40	KDAB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	79216648	KWBPKUMWVXUSCA-NPIKANBOSA-N	696.831	1.079	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)[C@@H]2SC1	97946036	MQRBYFLGBUPNBV-ABAIWWIYSA-N	541.302	1.275	0	40	KDAB	
CC/C(C)=C1/OC(=O)[C@@H](C)[C@@H](O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O	104186579	WHIKSLGSXKIHCA-JZIXCEIUSA-N	540.573	1.178	0	40	KDAB	
NCCCN1CCN(CCCNCCCC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)CCCNCCCN4CCN(CCCN)CC4)cc3)cc2)CC1	150372250	ZLLXQOKUHZWIQY-UHFFFAOYSA-N	785.117	1.849	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1	224465458	WCXNRURUCBOJPK-HXUWFJFHSA-N	567.686	1.312	0	40	KDAB	
CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)CC	224489045	VLNBQGYTJLKNGU-UHFFFAOYSA-N	525.649	1.692	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	253388545	ULGZDMOVFRHVEP-UBAUEWHUSA-N	733.937	1.786	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C)C(=O)O	253529824	WIKNHJPJHDNAME-WQYUUQHZSA-N	782.965	1.463	0	40	KDAB	biogenic,in-vitro
Cc1nn(C)cc1S(=O)(=O)NC[C@@H](O)[C@]12CC[C@@H](N(C)C)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2	257286658	PMLAVRNQLXJJFJ-YGHIHULVSA-N	506.669	1.544	0	40	KDAB	
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)[C@H](C)O)C(C)C)C(C)C	306146166	BXIFNVGZIMFBQB-BNVJULQJSA-N	877.053	1.225	0	40	KDAB	
CCCCC[C@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(/C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O	604220395	IMQSIXYSKPIGPD-WWMRIPLHSA-N	654.838	1.888	0	40	KDAB	in-vitro
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643566427	SCJYKECKFBIBRB-OPHFCASCSA-N	558.639	1.291	0	40	KDAB	
NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC1	1775937441	JHWCOTSIOATVKA-UIGMUVSQSA-N	655.749	1.989	0	40	KDAB	
Cc1ccc(Cn2c(SCC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)nc3c2c(=O)n(C)c(=O)n3C)cc1	2192336	OWIORHKQYTYEOR-UHFFFAOYSA-N	559.612	1.201	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1N(C)S(=O)(=O)c1ccccc1	10272081	BMJVQSUUHKOIRA-UHFFFAOYSA-N	518.617	1.900	0	40	KDAB	
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	13526688	TZXUDYHHHYBISY-UHFFFAOYSA-N	503.621	1.623	0	40	KDAB	
CCOC(=O)[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c1cccc2cc(C)cnc12	100154729	DWOYDKNIEZWRDH-UXPWSPDFSA-N	577.664	1.466	0	40	KDAB	
COC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccnc1	102649915	SEOQBBUYBNOTQV-ACSPXDACSA-N	532.603	1.208	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c(N)n(Cc2ccccc2)c1=O	103105262	BKOZJWYSLSIAGM-UHFFFAOYSA-N	535.431	1.752	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br	224454813	XOWVKSLPZFUTSA-UHFFFAOYSA-N	535.438	1.836	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	224500091	IYNQWPNXSLHWEQ-UHFFFAOYSA-N	567.686	1.312	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	252695325	YFGQJKBUXPKSAW-UTANQTIFSA-N	969.128	1.642	0	40	KDAB	biogenic
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@H]1C=CCCNC(=O)C=C[C@@H](C(C)C)NC1=O	958322905	AXZPAGVFIVOODG-OEUJLIAZSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
CCOC(=O)Cc1csc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)n1	6194923	SQXJROBPACCGHZ-UHFFFAOYSA-N	546.606	1.914	0	40	KDAB	
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12	9428228	KFLRCVDABNCMRA-UHFFFAOYSA-N	501.561	1.539	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C[C@@H](C)O1	96019666	QCFJKPINGGVYEU-RVFQGNMQSA-N	594.643	1.187	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	103018737	RGAWAAOOJBIBGY-BHWIVQFVSA-N	508.962	1.538	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1	103085784	MCSIJDRAHGMWSR-KRWDZBQOSA-N	527.020	1.894	0	40	KDAB	
CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)[C@H]3NC(=S)NC3=O)c2CC)c(CC)c1NC(=O)C(=O)[C@@H]1NC(=S)NC1=O	150437123	JLUONRVVXLJHMI-ZRZAMGCNSA-N	650.783	1.288	0	40	KDAB	
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)c2ccccc2)NC1=O	150662906	NZNSTOHSZZLSNP-AMTRYFOISA-N	772.948	1.685	0	40	KDAB	biogenic,in-vitro
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	225480736	FZBRMHXQOCLEDX-GOSISDBHSA-N	524.665	1.733	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	242390205	AEDVJDMITHPZNB-DOYHNPMNSA-N	525.532	1.506	0	40	KDAB	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C[C@]12C	299817489	FNIRVWPHRMMRQI-CJLWXJTESA-N	770.998	1.759	0	40	KDAB	biogenic,in-vitro
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	408686758	SSSLRYGEJLZKRM-YYYDKLNWSA-N	525.646	1.883	0	40	KDAB	
O=C(CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccc(N2CCOCC2)cc1	408961511	MSZCQYZUUPCGDF-UQQQWYQISA-N	572.622	1.868	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575425235	ROPRTGGPFKWAIE-WOJBJXKFSA-N	530.690	1.047	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)C[C@@H](C)O1	643568046	JGTOWYBPTAZORQ-ADGBJGEGSA-N	550.656	1.826	0	40	KDAB	
O=S(=O)(O)c1ccc2c(c1)OCCOCCOc1cc(S(=O)(=O)O)ccc1OCCOCCO2	13303603	RJXSOIASMMOWTA-UHFFFAOYSA-N	520.534	1.442	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1	20030721	OLTRLMOPSUTLKL-UHFFFAOYSA-N	504.428	1.636	0	40	KDAB	
COCCN(C(=O)COC(=O)CCC(=O)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079996	QFDSBYNDZASECB-UHFFFAOYSA-N	508.531	1.353	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224366813	GSPXYMBIUPPDNG-UHFFFAOYSA-N	555.675	1.840	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@H]3C(=O)NC[C@H]1O2	253399086	IILSFXHDCJNUAJ-JGDRUYDSSA-N	582.723	1.345	0	40	KDAB	
C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35C[C@H](O)[C@]12C)C(=O)O	253500738	KAGUOCQKGRJBBP-UMQNGHKFSA-N	796.992	1.853	0	40	KDAB	biogenic,in-vitro
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N(C)CC1=O	643570884	VZYKRBPCHJISID-VWLOTQADSA-N	565.671	1.023	0	40	KDAB	
C[C@H](O)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O[C@H](C)C(=O)O	2060999824	VNKAYSKYAPOBNN-CVJICSNFSA-N	577.109	1.026	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@@H]2C	2061001097	HICKWUOOLVNEHW-WNGZFVONSA-N	738.912	1.362	0	40	KDAB	
CCOC(=O)NC(=O)c1cn(CCCOC(=O)CCCCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	8431323	MWIWWYJBDGAYET-UHFFFAOYSA-N	764.786	1.627	0	40	KDAB	
CC[C@@]1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	22858900	JVRWLYWKAJTQFS-NDEPHWFRSA-N	518.570	1.240	0	40	KDAB	
CC(C)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1	82175425	SKZOFFRZXFEXIO-QDSNZDMWSA-N	688.823	1.148	0	40	KDAB	
Cc1ccc(C)c(C(=O)COC(=O)Cn2c(=O)c3cc4c(=O)n(CC(=O)OCC(=O)c5cc(C)ccc5C)c(=O)c4cc3c2=O)c1	100390545	VGIPPJRROLZOMQ-UHFFFAOYSA-N	624.602	1.998	0	40	KDAB	
CN(CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c(N)nc(N)nc31)[C@@](C)(O)CO2)Cc1nc2ccccc2[nH]1	257284935	PEYGZJWDZZALSO-BVZFJXPGSA-N	534.625	1.073	0	40	KDAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(N)=O)c(I)c3)C2=O)o1	409399700	KUIPBJASQSCFFO-QPEQYQDCSA-N	525.255	1.628	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566886	YTSDBZRELCAGQY-DQEYMECFSA-N	549.672	1.403	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CC(=O)N2CCC[C@@H]2C1=O	643574613	DNSTYXUXNLONDO-XNFLFYSQSA-N	640.741	1.498	0	40	KDAB	
CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12	11866985	SNXKESNSEZNQHH-WINIVTDRSA-N	513.591	1.429	0	40	KDAB	biogenic
CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20033026	PDXVBBCJYZDFAW-UHFFFAOYSA-N	509.650	1.645	0	40	KDAB	
Cc1c(CCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)C)c(=O)oc2cc(O)ccc12	60045037	NIPLHFLTMHGVTE-NVQXNPDNSA-N	551.596	1.809	0	40	KDAB	
CC1=C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OC[C@H](O)[C@H](C)CC(=O)OC[C@]2(C[C@@H]1O)[C@@]4(C)[C@@]31CO1	100604249	PYYBXMVTBWYBDY-WZHYARLISA-N	548.629	1.364	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2	224297542	YNZDZRYJXPJIPP-UHFFFAOYSA-N	525.605	1.161	0	40	KDAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5CCOCC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253395863	CQHLDRAMGLVZJX-CFJXPYFLSA-N	568.675	1.418	0	40	KDAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)c3ccc(OCCCNC(=O)OC(C)(C)C)cc3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257338337	YWYBDPNNVABCAN-XRXFAXGQSA-N	532.594	1.406	0	40	KDAB	
CC(=O)Nc1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4ccccc4C(=O)N3)CC[C@@H]2O)cc1	514287517	HVYMBEJJRFMUQK-ZUGAHZRVSA-N	536.629	1.825	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccc5c(c4)OCO5)CC3)c3c1OCO3)CCN(C)C2	524731831	MAXDCZPDMCKZPA-GQCTYLIASA-N	543.598	1.687	0	40	KDAB	biogenic
CC(C)c1ccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@H]3N(S(=O)(=O)c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	575421280	OATYZJWKZSTSQS-POTDNYQPSA-N	630.832	1.960	0	40	KDAB	
COCCCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1	643564970	PWQRNPCXJKLRPH-GIBNYFNHSA-N	617.788	1.923	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O	3424794	XMGLQEWUQOELHX-PKNBQFBNSA-N	543.536	1.729	0	40	KDAB	
Cc1c(C)n2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1	96306682	JOVNUNBYYBVUAZ-UHFFFAOYSA-N	515.412	1.909	0	40	KDAB	
C[C@@H](O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O	100771889	SSMKLDJJCIRAMZ-BVJIBDCISA-N	505.612	1.995	0	40	KDAB	
NC(=O)c1cc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)cc(C(N)=O)c1	102993255	YWBKZNDWHDVPFN-UHFFFAOYSA-N	548.213	1.717	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@@]5(O)[C@@H](OC(=O)[C@](C)(O)[C@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	252694394	KBGNYIWYDYVUFP-LQOMSPDCSA-N	793.948	1.607	0	40	KDAB	biogenic
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2	253400457	LGZXKETXACWAFE-FEVSWUGISA-N	556.685	1.652	0	40	KDAB	
CC(C)[C@H]1NC(=O)CN(Cc2ccccc2)C(=O)C[C@@H](C(=O)NCCCN2CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643572783	IFQKGRZOWWICNN-WPCVZQFZSA-N	664.804	1.080	0	40	KDAB	
CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O	1083778071	FEPMHVLSLDOMQC-XFJTWUNKSA-N	823.904	1.204	0	40	KDAB	biogenic
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1	12542579	VVLPXUBCUZLLRB-KRWDZBQOSA-N	514.556	1.684	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1	38140307	WSUYHBAUOPTBPF-UHFFFAOYSA-N	543.689	1.243	0	40	KDAB	
CC(C)CCn1c(SCCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)nc2c1c(=O)[nH]c(=O)n2C	53333489	DCHQIAGHHSYFON-UHFFFAOYSA-N	553.443	1.151	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59838923	BLBABRNALFAFDS-UHFFFAOYSA-N	573.693	1.924	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@H]2[C@H](C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@]12C	85341025	OODLPYNTTOEQHX-QNJNWKCXSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(N)=O	85867996	LYDCRXQQBDNGOO-WOTGAKFBSA-N	775.901	1.181	0	40	KDAB	biogenic
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21	100876767	HKXFXOOYRKHLSQ-TXKIEDGSSA-N	566.683	1.827	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	225866950	YRPOLFFCMKGZPO-UHFFFAOYSA-N	521.617	1.816	0	40	KDAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCOCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585281716	QAVXQOKTQGTYNQ-NDEPHWFRSA-N	549.615	1.777	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565066	ALPKMUZWZRZPMM-URXFXBBRSA-N	515.655	1.159	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)[C@@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	1569985894	XCLJRCAJSCMIND-FNWYHBLFSA-N	734.969	1.544	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6546810	SNSRWWQNLLEVGD-GOSISDBHSA-N	503.512	1.932	0	40	KDAB	
O=C(COC(=O)CCc1nnc(SCC(=O)NCCc2ccccc2)[nH]c1=O)NCCc1ccccc1	12531188	CHANATQZFSCEGQ-UHFFFAOYSA-N	523.615	1.451	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1	20676913	WDBRCXCBJKFRIU-JOCHJYFZSA-N	528.451	1.923	0	40	KDAB	
Cc1ccc(OC[C@H](O)Cn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C	56972303	IWNHWIZPGLGVQR-JOCHJYFZSA-N	518.618	1.802	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	70664709	YAQKKPAGOYYBGW-CBNWRBMVSA-N	596.630	1.229	0	40	KDAB	biogenic
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C	101112444	ICWOBLRWDHMGJE-BTNVRDNYSA-N	571.675	1.462	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224455796	QGMZRIZOYGVYCN-SANMLTNESA-N	587.676	1.859	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N[C@H]3C[C@@H](C(=O)NC[C@H]1O2)N(Cc1ccc(F)c(F)c1)C3	514287539	JKYCNXHDXWBEHX-VRLJXTJWSA-N	592.665	1.702	0	40	KDAB	
Cc1ncncc1C(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578922	LWBKZRXMXWDUJH-BJKOFHAPSA-N	511.623	1.744	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC2)c1	643584878	LVLGPDNBVWAKIO-VOXZARHYSA-N	563.736	1.939	0	40	KDAB	
CC(C)[C@H](N)COc1ccc(Cl)cc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879921	XNROYSVHAULQKL-HKBOAZHASA-N	533.025	1.878	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)/C=C/c2cc(OC)ccc2OC)c(N)n(Cc2ccccc2)c1=O	97979251	BRSTVXRMAZPIPN-FMIVXFBMSA-N	537.525	1.270	0	40	KDAB	
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CCOCC1	97990146	PIVSHURVCRGJDJ-UHFFFAOYSA-N	576.606	1.063	0	40	KDAB	
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CCOCC1	150368265	XASIRUTXOCDMDG-UHFFFAOYSA-N	648.713	1.860	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3ccc(CN)cc3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257292145	QKEULWUTYIJRGQ-UWJYYQICSA-N	507.385	1.558	0	40	KDAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	408594701	UYMWOGABOQMBFH-ONNFQVAWSA-N	586.076	1.425	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643566480	SOXOCZBHFAIRBG-RSEQLOHWSA-N	551.688	1.600	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643567665	OSAJMBVDZXZVLO-ZEQRLZLVSA-N	554.692	1.704	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@]1(O)[C@H]2C	1529497084	WHWWQGPCTUQCMN-VWDIFFFQSA-N	738.912	1.505	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)c1ccccc1	1772768857	VJPDUUIEFZFXNO-RTOKGZNSSA-N	674.836	1.077	0	40	KDAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	16033755	VRFOWJNWBITJLS-LJZUKVSMSA-N	510.934	1.610	0	40	KDAB	
CCOC(=O)N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	19961763	MVDVNQMCPWNASF-QHCPKHFHSA-N	523.590	1.909	0	40	KDAB	
CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1cc(I)c(=O)c(I)c1	103092556	HYDLPDIOGJLWQF-UHFFFAOYSA-N	561.114	1.225	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224302819	SKDZNVSLVQBOKS-QGZVFWFLSA-N	513.613	1.960	0	40	KDAB	
CN(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	224481352	VHYCCZXAOBDZIX-UHFFFAOYSA-N	525.649	1.303	0	40	KDAB	
Cc1ccc(S(=O)(=O)N([C@@H]2CCS(=O)(=O)C2)N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575424770	MQARTLCGKZEZDI-FGZHOGPDSA-N	604.794	1.891	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCCNC1=O	643566689	HSADITUNDFOYGI-JGQIHZOTSA-N	502.612	1.241	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccco3)n2C)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913156	HYLAYNGNXWKEGB-DCDYHQBJSA-N	611.762	1.433	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1ccc(O)cc1	2051464	IVINJXFEYCJXJU-QRRJMBGHSA-N	522.579	1.740	0	40	KDAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1	3007314	MYIAJEMPNAHJGS-KBPBESRZSA-N	520.633	1.802	0	40	KDAB	
O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2C1=O)NCC(=O)OCC(=O)c1ccccc1	4211676	BCJISYWDKPXSSB-UHFFFAOYSA-N	542.500	1.865	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1	6546271	BJQJBMFQZPPLKB-XXBNENTESA-N	542.618	1.838	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6546937	FYIDBEPJDPMLNR-FQEVSTJZSA-N	561.642	1.966	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](OC(=O)c2ccc3ccccc3c2O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	62725270	YRCXXSRBHWKKJC-SSORKUHLSA-N	517.487	1.358	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14	100755953	NNDHDYDFEDRMGH-RSTNSPAHSA-N	586.726	1.718	0	40	KDAB	biogenic
CN(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1CCS(=O)(=O)C1	103090877	PWFDIBRVWLZGAC-QGZVFWFLSA-N	524.573	1.061	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H]5[C@H](C[C@H]43)O[C@]3(CC[C@@H](C)CO3)[C@H]5C)C2)[C@H](O)[C@H](O)[C@H]1O	253498677	KFYOFJUUTSALEH-LUNTUIMESA-N	871.071	1.322	0	40	KDAB	biogenic
CC(C)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4cnn(C)c4)ccc3C(=O)N2)CC[C@@H]1O	514287521	IFNHOPSOZCUTEP-AKNSVXHUSA-N	511.623	1.475	0	40	KDAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CC(=O)N[C@H](C(C)C)C(=O)N1	643566417	YEATZXBXEBLHTF-JLRUASKGSA-N	531.698	1.697	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N1	643566589	UWUAGWZBHGEBJQ-HSWFVFMJSA-N	591.709	1.592	0	40	KDAB	
O=C1N[C@H](C(=O)NCCN2CCCCC2)CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21	643576017	DLIZXPUIBDTOEO-AWCRTANDSA-N	646.789	1.394	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@H](N)CCCCN)C(=O)N[C@H](CC(C)C)C(=O)O	644163971	TZCYVPLNMOJUIL-MPXBDZGLSA-N	746.995	1.100	0	40	KDAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OC	1868344	XYBDMVXFQAWRIO-NRFANRHFSA-N	508.409	1.529	0	40	KDAB	
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	3367292	VVLPXUBCUZLLRB-QGZVFWFLSA-N	514.556	1.684	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1	13146542	ZJSMWUYSLHAGOO-UHFFFAOYSA-N	509.606	1.907	0	40	KDAB	
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O	14111015	OESPDHXYZFYUPP-VWLOTQADSA-N	514.604	1.527	0	40	KDAB	
CCN(C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38145881	WIHDDMRCAAGQAA-UHFFFAOYSA-N	528.565	1.999	0	40	KDAB	
O=C1CN(C(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c2ccccc2N1	2037879693	LQUXZXILUOTUPW-GDLZYMKVSA-N	531.613	1.939	0	40	KDAB	
COc1ccc(CCNC(=O)CCCn2c(SCC(N)=O)nc3cc4c(cc3c2=O)OCO4)cc1OC	4175765	OBBFTJPWKOHDQJ-UHFFFAOYSA-N	528.587	1.859	0	40	KDAB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	12542439	WEQORELEWIVOTM-UHFFFAOYSA-N	523.633	1.171	0	40	KDAB	
COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc3c2=O)cc1OC	13134181	MDBVVHYMNDDWHG-UHFFFAOYSA-N	509.544	1.358	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@H]2[C@H](C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@]12C	85341031	OODLPYNTTOEQHX-CIGNJYNVSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
COCCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	102895502	XDUPHNCHDABBJA-UHFFFAOYSA-N	545.687	1.945	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c(N)n(Cc2ccccc2)c1=O	103069637	IKNJVBRTYYMIGU-UHFFFAOYSA-N	558.547	1.123	0	40	KDAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1	224456790	LKNNSABTZFZMHU-UHFFFAOYSA-N	551.687	1.999	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	257390714	BVDGQVAUJNUPGW-HSYJHCBWSA-N	646.642	1.058	0	40	KDAB	biogenic
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNCCOC[C@H]2CCCO2)CCCCOC[C@@H](O)[C@H]1O	643586665	LTHIMCKDUCRJAK-CQSQUPQASA-N	625.779	1.844	0	40	KDAB	
O=C(COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2	3359107	DCRBNNPZIMCNIP-OAHLLOKOSA-N	515.338	1.041	0	40	KDAB	
CCN(CC)CCn1cnc2c1c(=O)n(CCCOC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n2C	8426139	HMBCSVGQCAXWHF-UHFFFAOYSA-N	517.583	1.511	0	40	KDAB	biogenic
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1OC	13150537	XBEQBECHXAATAQ-OAQYLSRUSA-N	507.595	1.463	0	40	KDAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O	15940799	GNLAVSJNTJGBDS-UHFFFAOYSA-N	507.613	1.357	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)n1	20494808	YHTOUZXUMPRZNS-UHFFFAOYSA-N	519.605	1.995	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O	23078411	QOKRKSBSWKPWOQ-UHFFFAOYSA-N	507.613	1.387	0	40	KDAB	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(C)cccc1C)C(C)C	27212546	LOACDHZQOPEFKK-NFJAKAEBSA-N	654.717	1.087	0	40	KDAB	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2	102243956	CEPSEKCGFASQRU-KRWDZBQOSA-N	539.632	1.870	0	40	KDAB	
Cc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)ccc1Br	224216645	BWOMRTPQNAQFRF-UHFFFAOYSA-N	548.481	1.969	0	40	KDAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)c1	408664525	CEJNDWPUUPFFHJ-OAHLLOKOSA-N	501.492	1.396	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643566741	XZEBDTLQOGTXLK-RZFJZAQRSA-N	605.692	1.120	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1	3279192	NYWCBKFHTJERAO-UHFFFAOYSA-N	524.404	1.704	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1C	13134496	SIACUAXGTXGISP-CYBMUJFWSA-N	517.391	1.970	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1	13640310	VGUUDSNUJASRMW-FGJULOEWSA-N	510.878	1.726	0	40	KDAB	
Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1	20032765	GFGLCEZJCUCHLX-UHFFFAOYSA-N	503.602	1.816	0	40	KDAB	
C=C(Oc1cc(C(=O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O	67903648	QPTBIDGWTVNLQQ-DMKHAHDWSA-N	656.553	1.154	0	40	KDAB	biogenic,in-vitro
COC(=O)c1cccc(OCCOCCOCCOCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OC(C)(C)C)c1	72130560	XILRGXFMEQJWTK-VWLOTQADSA-N	655.742	1.759	0	40	KDAB	in-vitro
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1	96019713	VJGPBFHIPLDUHV-HSZRJFAPSA-N	552.606	1.419	0	40	KDAB	
C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)C1	101462093	XJKSWFUCQUNESH-QGFMHUBQSA-N	594.721	1.215	0	40	KDAB	
O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	103073642	QQIJCGSSOYNMDO-UHFFFAOYSA-N	570.601	1.880	0	40	KDAB	
CCc1cc(Cc2cc(Cl)c(NC(=O)C(=O)[C@H]3NC(=O)NC3=O)c(CC)c2)cc(Cl)c1NC(=O)C(=O)[C@H]1NC(=O)NC1=O	150437217	WRTFESHREWUTSL-RTBURBONSA-N	631.429	1.140	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224302762	SKDZNVSLVQBOKS-KRWDZBQOSA-N	513.613	1.960	0	40	KDAB	
COc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224483645	QINLYYGIDPPUPI-SFHVURJKSA-N	541.648	1.066	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	248173541	ULGZDMOVFRHVEP-SQJXUCBSSA-N	733.937	1.786	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643567741	UFAAVFWNAGCHND-SWGGMNADSA-N	584.670	1.096	0	40	KDAB	
CCCCC[C@H](O)[C@@H]1C(=O)O[C@@H](C)[C@H](O)C=CC=CC=CC=CC=C(C)[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1O	1078028284	IMQSIXYSKPIGPD-NRDCHWNJSA-N	654.838	1.888	0	40	KDAB	
Cn1ccc(=NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)[nH]1	2037879191	DSHPCYRKMGEUKH-ISJGIBHGSA-N	548.688	1.462	0	40	KDAB	
Cn1c(=O)c2c(SCC(=O)NCc3ccc4c(c3)OCO4)nc(-c3ccc(F)cc3)nc2n(C)c1=O	9411364	WVDNSCWZDKWMLQ-UHFFFAOYSA-N	509.519	1.971	0	40	KDAB	
CCOc1ccccc1N1CCN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	12561494	KKLJZSNVVUPFJA-NRFANRHFSA-N	505.637	1.668	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)c(=O)[nH]c1=O	32957703	IYXSPYDLPJAPJC-UHFFFAOYSA-N	534.658	1.815	0	40	KDAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1	38144992	PFAZDXRTDCVISO-VWLOTQADSA-N	546.646	1.679	0	40	KDAB	
CC(=O)N1C(=O)/C(=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)c2ccccc21	97968922	GPQLSSDHTQCEQY-STRKAMBQSA-N	564.627	1.882	0	40	KDAB	
Cn1cc(C(=O)N2CCN(c3ncccn3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	102921026	WYWVPUZWIQDGSD-UHFFFAOYSA-N	531.042	1.337	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1	224388393	YZBRODBHSNZNBJ-UHFFFAOYSA-N	542.655	1.808	0	40	KDAB	
CC[C@H](C)[C@H](OC(C)=O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC	253388436	VLOGACFISZMMCN-GAMSURNWSA-N	794.929	1.775	0	40	KDAB	biogenic,in-vitro
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2	253408606	YIYNAJYADQZBHV-DSZDGCDSSA-N	594.665	1.319	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1OC	260888376	MNHBAZGJEZDOKK-GOSISDBHSA-N	571.674	1.074	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CC(=O)N2CCC[C@@H]2C(=O)N1	643566021	UGDOFXBFEKGGNZ-OEMFJLHTSA-N	535.645	1.843	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N1	643571605	FZMNFXKXFUTGLJ-AYRHNUGRSA-N	621.739	1.087	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CC(=O)N[C@H](CC(C)C)C1=O	643582730	VLAACDFSZRIFPH-YADHBBJMSA-N	515.655	1.111	0	40	KDAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)N1CCOCC1)CC2=O)NCCN1CCCC1	958317817	PNELCEGVQJKRAO-DQEYMECFSA-N	553.704	1.956	0	40	KDAB	
COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc5c(c4)OCO5)CO[C@H]23)cc(OC)c1	4147754	INTQKRWCBUMVDH-ZCLUNYJNSA-N	528.547	1.905	0	40	KDAB	biogenic,in-vitro
COC(=O)c1ccccc1S(=O)(=O)N1CCC(NC(=O)[C@@H](Cc2cccc(OC)c2OC)NC(C)=O)CC1	38145128	JCDSUZDAXYSGHF-OAQYLSRUSA-N	547.630	1.507	0	40	KDAB	
O=C(NC(=S)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	102932628	DJCSQWPFPYFVFM-UHFFFAOYSA-N	589.117	1.509	0	40	KDAB	
O=C(OCC(=O)N1CCN(C(=O)COC(=O)c2cncc(Br)c2)CC1)c1cncc(Br)c1	103006147	CIDYIZUXLUTHBO-UHFFFAOYSA-N	570.194	1.686	0	40	KDAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	224443157	KWACFRXBCNLTGY-UHFFFAOYSA-N	546.067	1.631	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@]12C	253402693	OODLPYNTTOEQHX-WTVNJUOVSA-N	556.656	1.893	0	40	KDAB	biogenic,in-vitro
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643565626	KNYNWFFVNOZNBQ-DDZLNHKNSA-N	588.709	1.851	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)Cn4cc(Cl)cn4)[C@@H]3SC2)s1	2807936	PCITUFYFGPAUGA-XLIXJNEVSA-N	515.042	1.863	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](OCc2cccc(Br)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5221439	BAWKASVQYQUJCP-WHZJULEDSA-N	516.341	1.622	0	40	KDAB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C	12528777	NGOSHAJRNATUSV-IBGZPJMESA-N	500.639	1.167	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@@H]1O	67903246	CMZFNIMQBCBHEX-YGYRVEJBSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
COc1ccc(N2C(=O)NC(=O)[C@H](C(c3ccncc3)[C@H]3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1	100218403	QWUODEQDUJXXOL-VXKWHMMOSA-N	557.519	1.981	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	205109904	MIVQDKORYUSPTQ-VJGNERBWSA-N	566.699	1.779	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1	222694765	VUAKTVWTEUTMQA-MRXNPFEDSA-N	501.577	1.961	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2COC3(CCN(C(=O)CCc4nc5ccc(Cl)cc5[nH]4)CC3)C[C@@]2(C)O)n(C)c1=O	257316627	VGJJJQZYMUHOGG-NIYFSFCBSA-N	570.050	1.670	0	40	KDAB	
O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	9600224	SHQYNTGNHYGWNL-QGZVFWFLSA-N	516.801	1.882	0	40	KDAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2CCCSc1nnnn1-c1ccccc1	96019789	LKZVDKCIONPWCJ-UHFFFAOYSA-N	544.645	1.908	0	40	KDAB	
O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1	101440103	CURCSRJBTARHQB-SYVJQLTCSA-N	548.640	1.850	0	40	KDAB	
O=C(OCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCCN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O	104328834	UWWYIPWDWNMXHN-PFEXXUIXSA-N	560.603	1.125	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O	224333292	UTUKMUWEDSOUOR-KRWDZBQOSA-N	513.613	1.960	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2	224379494	BHBFKVYTQPPRJA-UHFFFAOYSA-N	553.659	1.594	0	40	KDAB	
CC(C)(C)OC(=O)NCCCC(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257206698	BEOVTNBQGIIMCC-TWRVUUBYSA-N	516.595	1.565	0	40	KDAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@H](O)[C@H]1O	607738349	IQPQUCSPCDSVLE-PRJZZQHESA-N	629.615	1.874	0	40	KDAB	biogenic
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576301	UFCSCYVUDLRBGY-FEVNIDIWSA-N	643.745	1.091	0	40	KDAB	
COCCN(C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12849563	MKLVHKDKNWZVQS-CSKARUKUSA-N	522.514	1.132	0	40	KDAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(c2ccccn2)CC1	79193569	IWNVLOSZNKBTGM-RTWAWAEBSA-N	502.619	1.589	0	40	KDAB	biogenic
COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]45O[C@H]4C(=O)[C@]1(C)C[C@]2(O)[C@@H]4[C@@]35O	96023882	HOUJKWFMLMSPNW-FEJLFRNISA-N	516.543	1.063	0	40	KDAB	biogenic
O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1)NCc1ccc(N2CCOCC2)nc1	97981241	VWDDKGQTZBOLQB-BJMVGYQFSA-N	578.695	1.958	0	40	KDAB	
C[C@H](Oc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C(=O)N1CCOCC1	408605640	NEQRENASWIKULL-IBGZPJMESA-N	517.604	1.548	0	40	KDAB	
O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1	1542984425	KVEYXEUEMCGXHR-UHFFFAOYSA-N	518.600	1.421	0	40	KDAB	
CN(C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615121374	VDWIEWVOWHGATJ-UIOOFZCWSA-N	565.715	1.992	0	40	KDAB	
CCN(c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O	20033689	OWEAVDPGNSURHN-UHFFFAOYSA-N	511.622	1.189	0	40	KDAB	
COC(=O)[C@@]1(Sc2ccccc2)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	103657965	NPLKOUSSDBQHEN-YRVDZMIHSA-N	583.612	1.300	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)CN[C@H](C)[C@H](O)[C@]1(C)O	245204827	HRKNNHYKWGYTEN-PNHUIICBSA-N	734.969	1.559	0	40	KDAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1	503922176	GECFLNOUXIAXFR-JGLNRKDHSA-N	568.630	1.395	0	40	KDAB	biogenic
CN1CCN(C2=Nc3cc(Cl)ccc3N([C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)c3ccccc32)CC1	504799686	YWWIDMPXCSUNRD-DXGJXXFVSA-N	502.955	1.009	0	40	KDAB	in-vitro
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCOCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568319	YAVMWJYBYUTUOO-STXQHDJLSA-N	593.725	1.274	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)CC(=O)N[C@@H](Cc2cnc[nH]2)C1=O	643568344	PCZVDPHQVASGRV-NSOVKSMOSA-N	615.735	1.779	0	40	KDAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6546300	ISSQYYMUBOZMOM-WIOPSUGQSA-N	554.579	1.916	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	64497628	YMMJETCXSJQDSL-UHFFFAOYSA-N	537.660	1.561	0	40	KDAB	
CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O	252338822	FEPMHVLSLDOMQC-HDYHTPFKSA-N	823.904	1.204	0	40	KDAB	endogenous,in-man
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCNCC4)C[C@H]3C(=O)NC[C@H]1O2	514287356	BYEMFXDSOIJUCH-CFJXPYFLSA-N	569.747	1.932	0	40	KDAB	
Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCN(c3ccccc3)CC2)c1	9382002	OTFSTFWOUXVLLF-UHFFFAOYSA-N	517.615	1.984	0	40	KDAB	
O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1	13496976	FQHIOAAQTYTCBQ-HXUWFJFHSA-N	523.633	1.516	0	40	KDAB	
CC1(C)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@H]2S1(=O)=O	16026117	BVLVIFMBEXJMPU-MZYLBHOOSA-N	508.600	1.646	0	40	KDAB	biogenic
O=C1c2c(cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2O)O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@H](O)C3)O[C@H]2c1ccc(O)cc1	253388339	MYIUHDZRMLFLNJ-YOGONUQOSA-N	704.637	1.371	0	40	KDAB	biogenic,in-vitro
CO[C@H]1CN(C(C)=O)CCCN(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CCCCOC[C@H](O)[C@@H]1O	643584806	KLUQRNNRDIMRPM-GNKBHMEESA-N	566.696	1.899	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@@]5(C)[C@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)[C@@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	1529054243	AMXYFWUYMQOLRN-XRVQKYPTSA-N	913.108	1.345	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccc(F)c(F)c1)CC2	1548888996	DRSXUIKWVDHTJA-RDGATRHJSA-N	606.692	1.859	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCC(N)=O)C(=O)O)C3=O	1775963857	GZQBLGGHXGVJRY-CYABWLGASA-N	530.618	1.945	0	40	KDAB	biogenic,in-vitro
C[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	6005099	ASQGMHZTUYEPCB-XLIONFOSSA-N	512.563	1.300	0	40	KDAB	
Cc1cccc2cc(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c12	19822782	JDCWDCGBFSCIBL-UHFFFAOYSA-N	501.697	1.958	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(OC)cc1	22843260	IMCGZNMSWHIJNK-XOYGFPHKSA-N	518.595	1.997	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)n1	30752629	JIMJFMNZTBZLQQ-IBGZPJMESA-N	503.562	1.752	0	40	KDAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12	100162557	KOHRSPITWOPBEG-RUOFAYGQSA-N	553.413	1.647	0	40	KDAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	102972205	BSNUIZWOXWWUEB-UHFFFAOYSA-N	596.728	1.592	0	40	KDAB	
CCCN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3ccccc3F)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1	253402948	PCGNOHVZYCOUDS-WLNCWMDYSA-N	508.612	1.738	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	254383261	ARPVHNFYZHWCNQ-OQEHDIDLSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
CCN1C[C@]2(COC)[C@H]3[C@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@@H](O)[C@@]4(OC(C)=O)[C@H]1[C@@H]2OC(=O)c1ccccc1	255999255	RIPYIJVYDYCPKW-QOJHRZAXSA-N	687.783	1.219	0	40	KDAB	
COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H](CCCNC(=N)N)NC(C)=O)CC[C@@H]3O[C@H]21	257229413	FYAMKCYMKZDABP-GWGVIPHVSA-N	501.628	1.929	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409172012	AURCYKVRVMVPJS-RNECYNAXSA-N	591.642	1.765	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585272174	GSXNGZVTDLHGDN-NDEPHWFRSA-N	526.634	1.500	0	40	KDAB	
COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C	888087694	FERNYFICPVEWOV-UHFFFAOYSA-N	512.637	1.497	0	40	KDAB	
CC1(C)C(=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@@H](O)[C@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)[C@@]3(C)CC(=O)[C@@]21C	1772591437	BWLJNNFSQWDPOQ-DIFZWCKYSA-N	664.833	1.814	0	40	KDAB	
Cn1c(N)c(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2-c2ccccc2)c(=O)n(C)c1=O	3257899	OPXXOKIOUISDAH-UHFFFAOYSA-N	581.680	1.673	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6546823	AMQSYVYIRBZXML-LJQANCHMSA-N	515.548	1.802	0	40	KDAB	
CN(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1	13120202	HFWWPVZZUZFRHZ-OJLWIZQOSA-N	518.613	1.640	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	20547523	SFGCKIGLDNDZLI-OFCWLIIESA-N	510.522	1.072	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)CC2)c(C)c1	102849232	LYZCWFYSSPRQFW-UHFFFAOYSA-N	591.756	1.469	0	40	KDAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222737496	DUDNGSAXUFLYLP-JOCHJYFZSA-N	542.702	1.926	0	40	KDAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	224255779	YZWSGLDKSSALLS-NRFANRHFSA-N	513.638	1.685	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	230290906	FAXGPCHRFPCXOO-PBNRGALUSA-N	685.904	1.467	0	40	KDAB	
CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)cc1	408580444	QRMSTTPICQXNPM-FQEVSTJZSA-N	510.591	1.904	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OCCN(C)C1=O	643565516	IFOURFWJQBNOES-PMACEKPBSA-N	580.608	1.979	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566418	QFIFRSYDPWRCCH-ONALNCHISA-N	593.725	1.705	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576208	RHLYEYBFXWGRAZ-QYDYLWNGSA-N	642.757	1.696	0	40	KDAB	
COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCn3nccc3NS(C)(=O)=O)ccc21	643583928	PHNVDDLAVSLYIR-UHFFFAOYSA-N	520.656	1.718	0	40	KDAB	
Cc1cccnc1CN1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888845	BCPMLEBHVRSTKV-NOZRDPDXSA-N	580.711	1.848	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C(=O)OC)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1	1787803	SKTFMJGARNAKHS-STIKNRRDSA-N	578.599	1.123	0	40	KDAB	
C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O	30160215	XZXBPAODZJETKT-QXYWQCSFSA-N	528.576	1.002	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1OC	97948444	PKLJOLHXMQPNRG-UHFFFAOYSA-N	570.715	1.428	0	40	KDAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222930866	INIPJNRRCREZMP-GOSISDBHSA-N	505.593	1.258	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	253389085	IAGSHEHQJJTLLR-IVQCFBJESA-N	883.082	1.984	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C	257505962	ORKLEZFXASNLFJ-IKWLQIQLSA-N	943.996	1.628	0	40	KDAB	
C[C@H](O)[C@@H]1C[C@H]([C@](C)(O)[C@@H]2CC[C@]3(O)C4=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]23C)OC(=O)[C@H]1C	257533925	RPCTUYZLPGGPJD-VNVQQVQSSA-N	520.663	1.891	0	40	KDAB	biogenic
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3F)C[C@H]21	1534612786	KIVYFRGLVDOBID-PWWKTKHKSA-N	519.639	1.936	0	40	KDAB	
CN1C(=O)C(C(c2cccc(C(F)(F)F)c2)C2C(=O)N(C)C(=S)N(C)C2=O)C(=O)N(C)C1=S	980328	XOLDSRYHSSIJBU-UHFFFAOYSA-N	500.524	1.452	0	40	KDAB	
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12	2743780	ZOPFOHDSFBKCKW-MEBBXXQBSA-N	545.466	1.970	0	40	KDAB	
COCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	38145789	JQSNOGZGIRVESE-UHFFFAOYSA-N	542.058	1.896	0	40	KDAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)CC2)cc1	95570362	LAAGVWVMDQNIGF-KDURUIRLSA-N	549.671	1.834	0	40	KDAB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1	100777425	KUJSSIGKZQTEHC-WOZUAGRISA-N	532.638	1.880	0	40	KDAB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccnc1)N1CCOCC1	100971816	XDIYADHIPATDPF-XDTKVKNJSA-N	512.613	1.164	0	40	KDAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc3oc(=O)sc3c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216307085	WSIIBQIRXPPYHU-RFBJODPTSA-N	511.505	1.198	0	40	KDAB	
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1	224331111	ORMDACREVIKFOJ-UHFFFAOYSA-N	571.121	1.869	0	40	KDAB	
CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1C[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O	257234728	GUWDNOKQDGQMDA-OSZJIOELSA-N	525.610	1.895	0	40	KDAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1	503922177	GECFLNOUXIAXFR-NUABRCLCSA-N	568.630	1.395	0	40	KDAB	biogenic
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566363	CTRWHEYNKUFBEX-IZIIKQMZSA-N	515.655	1.157	0	40	KDAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)N(C)CC(=O)N1	643578776	QKSQNCLKRVKCHQ-XZOQPEGZSA-N	529.682	1.549	0	40	KDAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	1615161407	VSUZYEXGLKHEKE-DQEYMECFSA-N	550.656	1.783	0	40	KDAB	
COc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2OC)cc1	13146713	JXYJJKCPHFFQCU-GOSISDBHSA-N	520.560	1.524	0	40	KDAB	
COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2ccccc21	20152729	KAJIEMBQUHECNG-UHFFFAOYSA-N	504.499	1.888	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3OC)CC2)c1	22609752	JNMJTJAZAHHGAD-QFIPXVFZSA-N	525.606	1.190	0	40	KDAB	
CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]24	30726628	DTTPWCNKTMQMTE-TYNNPWLESA-N	507.624	1.350	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@@H]3CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	70665983	XNZOOKULEFZSKF-ZMQRZERRSA-N	556.656	1.716	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	70697371	NCNYNAVURBMHFJ-RLLIMONSSA-N	541.004	1.894	0	40	KDAB	biogenic
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	103558151	IEPCYJLTAGEWNI-MYHFPWRRSA-N	602.589	1.642	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1	224245359	OKCDIODYUAENDN-IBGZPJMESA-N	518.013	1.313	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(OC)c(OC)c1OC	224428543	DBWMRIVALMWOOI-UHFFFAOYSA-N	508.593	1.991	0	40	KDAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224484919	PBOLZWRUABBDGL-MRXNPFEDSA-N	547.602	1.335	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O	299754547	LIQODXNTTZAGID-KZGYPRJBSA-N	668.541	1.105	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nccc(C)n2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913445	YEURHGYNYCKCSJ-IYXIZZNPSA-N	556.726	1.143	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1	6281148	RPTWBTYEMCDHCI-RUZDIDTESA-N	536.637	1.988	0	40	KDAB	
Cc1c(C(=O)/N=c2\sn(-c3ccc(C(N)=O)cc3)nc2C(=O)N2CCOCC2)nnn1-c1ccc(F)cc1	8770585	KGYHCRYKFXJGCK-VYIQYICTSA-N	536.549	1.274	0	40	KDAB	
CS(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)CC1	12534337	YWQYTSHXJAHDEC-UHFFFAOYSA-N	501.590	1.859	0	40	KDAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	13565660	IBTJCQDIYOMGHO-DEOSSOPVSA-N	516.620	1.670	0	40	KDAB	
CN1CCN(C(=O)C(Sc2nnc(-c3cccnc3)n2-c2ccccc2)C(=O)N2CCN(C)CC2)CC1	16189052	DSHQYGVRBYTOLV-UHFFFAOYSA-N	520.663	1.338	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1	20101161	KFHNKRFRXGCYHO-DEOSSOPVSA-N	506.607	1.118	0	40	KDAB	
COCCN(C(=O)COC(=O)c1c(NC(C)=O)sc(C)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38139851	BQESTGGGVYDRSG-UHFFFAOYSA-N	543.602	1.640	0	40	KDAB	
CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCc3cccc(OC)c3)c2=O)cc1	102523689	NKWKOMAVQJJTOE-UHFFFAOYSA-N	546.580	1.913	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2	253400278	KZKCKKNOFCLTCI-GEMTWJNPSA-N	556.685	1.377	0	40	KDAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)c1	643572738	HBMWHPLABBCXMB-QZBIDKIJSA-N	609.724	1.475	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@@]34C[C@]35CC[C@@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@]3(C)[C@H]5C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2)OC[C@H](O)[C@H]1OC(C)=O	1529054385	GBPDDYORNLOZID-HNUFAFQISA-N	841.001	1.230	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1CCN(c2ccccc2O)CC1	12656782	UBBQSMHSIZAALC-UHFFFAOYSA-N	504.634	1.558	0	40	KDAB	
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	14092970	WGSNVNIRTKAVBP-VWLOTQADSA-N	512.588	1.602	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1OC	15959687	ZILUMCFGNWJGCM-WTLLVQHOSA-N	506.559	1.159	0	40	KDAB	biogenic
Cc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCOCC1	23248975	LFIBWOZDJUSJPQ-UHFFFAOYSA-N	516.620	1.501	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	60028513	AOFMPQSACWNYEE-UHFFFAOYSA-N	539.632	1.130	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1OCC(=O)N1CCOCC1	72134899	UAAOUVOUHYKQDU-UHFFFAOYSA-N	538.022	1.733	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C[C@@H](C)O1	195529328	QCFJKPINGGVYEU-ITNZAGEZSA-N	594.643	1.187	0	40	KDAB	
O=[N+]([O-])O[Sn](O[Sn](O[N+](=O)[O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	196000168	FFNDSNBGBHBFNI-UHFFFAOYSA-N	685.853	1.933	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2	253400396	LFHVGQPPRNCRHC-CFJXPYFLSA-N	550.656	1.591	0	40	KDAB	
COc1cc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)C2=O)cc(OC)c1OC	524729973	PTUSGMGTMFDZOL-KCITZHQASA-N	514.579	1.777	0	40	KDAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585281250	XGXHFWUMYADYGQ-LJAQVGFWSA-N	554.644	1.497	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@@H](C)C2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582496	CRRMJZQYNAQDTM-MHOPESGUSA-N	550.656	1.779	0	40	KDAB	
NC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc2c1CCC2	3309224	BXPXLESYTNJGLQ-UHFFFAOYSA-N	528.008	1.806	0	40	KDAB	
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)cc3C2=O)cc1	3330014	AJKIJVCVCXMXRS-GOSISDBHSA-N	513.528	1.248	0	40	KDAB	
CCOc1ccccc1N1CCN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	12561492	KKLJZSNVVUPFJA-OAQYLSRUSA-N	505.637	1.668	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1	32960912	HTRUFGHIZCDYSP-UHFFFAOYSA-N	534.683	1.662	0	40	KDAB	
C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222702436	ONCIEWQTOLDEKN-QPPBQGQZSA-N	545.658	1.799	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCC1	224457358	ZMJCNVCLSGAAQH-UHFFFAOYSA-N	567.686	1.700	0	40	KDAB	
O=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N1	643568643	YVDMVEUJUOWEPK-FGUUHEIUSA-N	646.716	1.776	0	40	KDAB	
O=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2cnc[nH]2)N1	643569017	OPAPBZDLONCVGN-DQEYMECFSA-N	606.655	1.138	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575816	LWZAQOKTXXMDCK-LYVYPOQBSA-N	662.832	1.934	0	40	KDAB	
CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@@H](O)C=CC=CC=CC=CC=C(C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O	1503317078	IMQSIXYSKPIGPD-MNBYLRFNSA-N	654.838	1.888	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	1857523763	SFBJNUFWASMNDQ-KLKVHCOESA-N	927.091	1.438	0	40	KDAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	1843798	CCYWDAUQRFJMIP-MYXKAAJQSA-N	598.593	1.423	0	40	KDAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1)N1CCOCC1	12374643	ALLOQZAWGHDZDR-UHFFFAOYSA-N	509.694	1.983	0	40	KDAB	
O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	13136948	ODPMESNQUXILQE-NRFANRHFSA-N	511.560	1.290	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	20031992	FVDGBOVJWHWZCQ-HXUWFJFHSA-N	507.634	1.425	0	40	KDAB	
CCn1c(COC(=O)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)nc2cc(S(=O)(=O)N(C)C)ccc21	97982522	PVPPLHLXVJBJFR-UHFFFAOYSA-N	534.591	1.463	0	40	KDAB	
C[C@H](O)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O	100771034	SSMKLDJJCIRAMZ-RQUKQETFSA-N	505.612	1.995	0	40	KDAB	
C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2	110518939	FYSGSJYHTVGYLT-XWUOBKMESA-N	506.669	1.897	0	40	KDAB	
CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)[C@H]3NC(=S)NC3=O)c2CC)c(CC)c1NC(=O)C(=O)[C@H]1NC(=S)NC1=O	150437122	JLUONRVVXLJHMI-DHIUTWEWSA-N	650.783	1.288	0	40	KDAB	
Cc1c(CC(=O)N2CCC[C@@H](C(=O)NCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)NCC(=O)O)C2)c(=O)oc2cc(O)c(Cl)cc12	150457235	NRIJKQSEBRDWGM-YWEHKCAJSA-N	754.237	1.963	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Oc2ccc(I)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528668	BACZETLXMXQASX-OMQSBVIBSA-N	549.314	1.326	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](OC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	306122070	PEDLHTCZTNWMIO-CPAGHECKSA-N	945.877	1.615	0	40	KDAB	
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCN)NC[C@H](N)CCCCN)C(=O)N[C@H](CC(C)C)C(=O)O	584567161	TZCYVPLNMOJUIL-PXOJTDMZSA-N	746.995	1.100	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1	12657945	PULHFQJEIICAIA-UHFFFAOYSA-N	502.501	1.618	0	40	KDAB	
CCN(CC)C(=O)CN1CCCN(CC(=O)N(CC)CC)CCN(CC(=O)N(CC)CC)CCCN(CC(=O)N(CC)CC)CC1	100009758	JKQNZLKTODZGSY-UHFFFAOYSA-N	652.970	1.462	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389413	KEBWMOINOKSPFY-TWDKBAIXSA-N	941.118	1.260	0	40	KDAB	biogenic,in-vitro
O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409023639	ABGIHUPUVLJBKL-AREMUKBSSA-N	612.730	1.824	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOc2ccccc2C(=O)N1	643565662	FYLMVGMDJASYLW-DQEYMECFSA-N	560.655	1.120	0	40	KDAB	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3	13149000	NKKZNBZFZQRZMC-INIZCTEOSA-N	507.682	1.532	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C[C@H](C)O1	15940761	XSZORROSSCNIID-ROUUACIJSA-N	523.633	1.758	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1	19216798	WPRLTQJHZYALAP-QFIPXVFZSA-N	510.599	1.453	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cc(OC)c(OC)c(OC)c1	224097579	GQSDASDOJHLQJU-UHFFFAOYSA-N	508.593	1.991	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1O	252463653	NZNHJGNBLPBNLU-LAHCKBBGSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6[C@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@]45C(=O)O)C3(C)C)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O	253500601	CPLXLUNIGVIJMQ-POCUZFMSSA-N	941.118	1.682	0	40	KDAB	biogenic,in-vitro
COc1cc(C(=O)O[C@H](C(=O)N=c2cc[nH]cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O	409383195	SHTQLGLPIRJAKC-LOSJGSFVSA-N	610.528	1.846	0	40	KDAB	
NCc1ccc(C(=O)N2CCOCCOCCN(C(=O)c3ccc(CN)cc3)CCOCCOCC2)cc1	616580974	HNALALHZSDHSGW-UHFFFAOYSA-N	528.650	1.269	0	40	KDAB	
CO[C@H]1CCCN(C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(c2ccccc2)c2ccccc2)[C@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)O	643551830	ZUZMQOLYFBEIPQ-IIZANFQQSA-N	737.851	1.930	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCCN(C)C)NC(=O)c2ccccc2OCCCNC1=O	643566579	SUHZTBAIZPGZDH-SFTDATJTSA-N	503.644	1.063	0	40	KDAB	
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	1775953415	PLPFXMANEVIMMP-OAQYLSRUSA-N	631.683	1.261	0	40	KDAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1	12526941	FMLPHPSJXPYLRE-UHFFFAOYSA-N	510.638	1.789	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1	12528558	OZKGXGRTXWLZMK-UHFFFAOYSA-N	524.640	1.823	0	40	KDAB	
CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1	13526297	NBFRFBFDEKPKTQ-IBGZPJMESA-N	506.602	1.630	0	40	KDAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)c1	14108925	NYOWJOUJPOOGAL-XMMPIXPASA-N	516.551	1.328	0	40	KDAB	
Cn1c([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100377888	XKUFXZVUJRSLRP-CUVVAGTFSA-N	595.678	1.762	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	252463750	YURJSTAIMNSZAE-RENRHSENSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1	260719642	KXSKALAFLKDSQB-ISKFKSNPSA-N	503.621	1.952	0	40	KDAB	
O=C1N[C@H](C(=O)NCCc2ccncc2)CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21	643576497	MWSICMRNZWOVAL-AWCRTANDSA-N	640.741	1.546	0	40	KDAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@@]2(C)CC[C@]24C[C@]25CC[C@@H](OC[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C(C)(C)[C@H]5[C@H](OC[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)C[C@]34C)O1	2060989886	JANVOMCWWGNAIZ-GHZCCJNVSA-N	827.062	1.199	0	40	KDAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	10385814	VLIZZZQKYJMUOA-UXHICEINSA-N	514.535	1.470	0	40	KDAB	
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1	12542899	CHYGSXSTUUQGMM-OSPHWJPCSA-N	500.577	1.810	0	40	KDAB	
COc1ccccc1CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	12848782	MFYPZLLNFVTZPA-UHFFFAOYSA-N	504.561	1.727	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)CC2)cc1	13565731	WOVPQYZTKKXJCF-QHCPKHFHSA-N	504.584	1.801	0	40	KDAB	
COc1ccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	23079918	PERSZIVUNHVHKD-UHFFFAOYSA-N	510.547	1.787	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@H](C)N(c2cc(S(=O)(=O)N(C)C)ccc2C)C(=O)[C@@H]1C	102846832	KYBKAGMGJFUKHU-ROUUACIJSA-N	536.676	1.961	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	224209390	JIHXJWNGDDNAQL-UHFFFAOYSA-N	523.555	1.917	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccncc2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253398969	HXAVGPAEQBIDEE-WVZMWUMTSA-N	557.644	1.924	0	40	KDAB	
CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O	257549094	TVXISIJXIXGTQS-IRVMINPVSA-N	869.055	1.594	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1	575421479	JMKKUVQINGMCLO-JVSBHGNQSA-N	704.462	1.238	0	40	KDAB	
COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](Cc3cccs3)C(N)=O)N(C(=O)CSC)C2)cc1	4200856	IAEZOPRFMKVYFI-SNRMKQJTSA-N	519.649	1.424	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CC[C@@H](NC(=O)c1ccccc1C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	6546182	FQLVTZLYFJWGPI-WOJBJXKFSA-N	536.578	1.696	0	40	KDAB	
COCCn1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cc(F)c(O)nc3=O)CO4)ccc21	257292460	QLNYWVJYULIUAT-HYBUGGRVSA-N	515.542	1.472	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C)cc2C)c(C)c1	575425233	ROPRTGGPFKWAIE-UXHICEINSA-N	530.690	1.047	0	40	KDAB	
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	2111093	YTUKMTMUFQONEC-KWMCUTETSA-N	525.602	1.437	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(=O)O)N[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	8791125	CRPZVVUZNMTOHE-MJYNAXLSSA-N	507.543	1.840	0	40	KDAB	biogenic
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2	12542138	GAJMLTQVVOOZIE-QFIPXVFZSA-N	506.533	1.714	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)C[C@@H](C)O1	32996116	VAWIDSMYNAVNQY-HDICACEKSA-N	523.633	1.758	0	40	KDAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	59838901	UFKAUDCTKCVEDJ-IBGZPJMESA-N	555.650	1.572	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc(O)c(c4)Oc4ccc(cc4)[C@H]3O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1	95548069	TWOWSRSKGJSZHZ-GNYZMAJASA-N	772.856	1.034	0	40	KDAB	in-vitro
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O	96019855	SANDEXFKILPCRA-SANMLTNESA-N	542.614	1.289	0	40	KDAB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1	102854209	PTQHLEGUCFTSBU-GOSISDBHSA-N	536.673	1.081	0	40	KDAB	
CCn1c(CCCC(=O)N2CCC3(CC2)C[C@H](n2cnc4c2c(=O)n(C)c(=O)n4C)[C@@](C)(O)CO3)nc2ccccc21	257249560	JIXBRVQRDIWSNV-ZTOMLWHTSA-N	577.686	1.900	0	40	KDAB	
Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)ccc2n1C	257269010	MOEFPXOLEISFCW-FNZWTVRRSA-N	535.605	1.016	0	40	KDAB	
COCCOCC(=O)OCCOCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COCCOC(=O)COCCOC)ccc3c2=O)cc1	2060999958	FBXZFGCMOVEZMC-UHFFFAOYSA-N	690.651	1.716	0	40	KDAB	
Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1	1380920	JAHWIZMBXJXWMQ-JOHOXCDKSA-N	506.559	1.958	0	40	KDAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)NC)C1	2725226	YVAAODBEBVYACR-UHFFFAOYSA-N	536.632	1.896	0	40	KDAB	
Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C	3229249	FQTOXGYWSZXLLI-GOSISDBHSA-N	528.587	1.689	0	40	KDAB	
CCSc1ccc2c(cc1=O)[C@@H](N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCc1cc(OC)c(OC)c(OC)c1-2	5203269	GQVWLSDYJIVSGP-TZFNKICZSA-N	549.642	1.228	0	40	KDAB	
CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C	8876371	FLRUXAUWDKIEPL-LWMXANLMSA-N	533.662	2.000	0	40	KDAB	biogenic
CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079989	RIFGYLZTKWAKGP-UHFFFAOYSA-N	507.547	1.129	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)Cn2c3c(c(=O)n(Cc4ccccc4)c2=O)CC[C@@H]3N2CCOCC2)cc1	41105030	HMVUADKKDPFPCX-DEOSSOPVSA-N	517.586	1.975	0	40	KDAB	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N[C@H](CC(N)=O)C(=O)O)(c2ccccc2)CC1	70701616	YPECUESEJFCLSL-QZTJIDSGSA-N	534.635	1.302	0	40	KDAB	biogenic
CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCC1	97940071	NBTJDPSAJZDMSX-LWSSLDFYSA-N	540.610	1.611	0	40	KDAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1	245229710	DOVNCQAEQONNMA-MBOZVWFJSA-N	517.608	1.491	0	40	KDAB	
CNCCOc1cccc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](n2cc(Br)c(O)nc2=O)CO3)c1	257302054	SBEVPDYXNXMXDM-CVDCTZTESA-N	551.438	1.697	0	40	KDAB	
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)O2	260886076	DFXUNHAIZFRANG-JOCHJYFZSA-N	523.633	1.502	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(C)C)C(=O)NCCOc3ccccc3C(=O)N2)cc1	643568176	MFUHNBMHNUBDAI-LYVYPOQBSA-N	689.766	1.461	0	40	KDAB	
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O	13112836	PCZFFBXIPJGTHM-DEOSSOPVSA-N	502.568	1.824	0	40	KDAB	
CC(=O)O[C@H]1C(=O)OC[C@@]23CC[C@@]4(C)O[C@@H]4[C@@H]2O[C@@H]2C[C@@H](OC(=O)/C=C/C=C\C(=O)OCC[C@H]1C)[C@]3(C)[C@@]21CO1	100623173	JDFKYDYICWYZMF-VLPNKZGGSA-N	560.596	1.953	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2	224336786	BKZMKRWFDQWESF-UHFFFAOYSA-N	567.686	1.984	0	40	KDAB	
COCCn1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)nc(N)nc53)CO4)ccc21	257252430	JUTIDCUYCRMDMN-KBMIEXCESA-N	535.609	1.374	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NC[C@@H]2CCCN2CC)NC(=O)c2ccccc2OCCN(C)C1=O	643566802	WRSVKUPIICNJRO-RSKVWTTASA-N	515.655	1.157	0	40	KDAB	
CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)ccc1=O	2037879882	VQNLSLNOKMFGEM-ITHJLQSDSA-N	617.747	1.758	0	40	KDAB	
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	2061001098	HICKWUOOLVNEHW-ZCMVAYGFSA-N	738.912	1.362	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(C)C)C(=O)N1CCC[C@H]1C(N)=O	6190438	VOBAMTUXDLOETR-HOUBMWHVSA-N	571.675	1.462	0	40	KDAB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C	8686232	ZYHXODGVYNPUDT-UHFFFAOYSA-N	512.548	1.190	0	40	KDAB	
NC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)cc1	9518243	KWVLOWHYNJCEIT-UHFFFAOYSA-N	507.326	1.790	0	40	KDAB	
CCCN(CCC)C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)CN(CCC)CCC)C(=O)C2(C)C)C(C)(C)C1=O	17434019	CAYUBHBMCOYMMJ-ZRZAMGCNSA-N	582.787	1.995	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2	44904546	GTZADQSAYVXFOF-UHFFFAOYSA-N	519.561	1.801	0	40	KDAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	100185107	RGAWAAOOJBIBGY-RUOFAYGQSA-N	508.962	1.538	0	40	KDAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	225188074	COFZTHUAMKWLQE-CQSZACIVSA-N	503.549	1.779	0	40	KDAB	
CN1CC(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CC1=O	643567204	UXJBSGVNEMAYLL-NOZRDPDXSA-N	575.666	1.456	0	40	KDAB	
O=C(c1cccc2c1OCCO2)N1CCCOc2ccccc2CCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	1615159011	UBKUUBNXUWISLQ-IZJWWWMRSA-N	531.602	1.166	0	40	KDAB	
O=C(O)COCCCCCOCCOCCCCCOCC(=O)NCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	1775937463	KDYIZKATTGMJTL-DEOSSOPVSA-N	648.710	1.108	0	40	KDAB	
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCC1	4018360	ZAUYDHKSVFGBBZ-LOYHVIPDSA-N	696.889	1.838	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1OC	20611200	DXZWQYDLHZJHCH-OZLNXOMTSA-N	506.559	1.159	0	40	KDAB	biogenic
CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O	70664659	XPPVPEBAMOGLNL-QHAWAJNXSA-N	636.699	1.455	0	40	KDAB	biogenic
C[C@H](CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	77285571	ZTJBLIAPAIPNJE-BWGRGVIUSA-N	568.704	1.829	0	40	KDAB	in-vitro
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCO2	408703369	QKSQOJHADPAOQI-UHFFFAOYSA-N	511.578	1.231	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643564791	GFXYZPGHKDKKCJ-SGIRGMQISA-N	531.698	1.697	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)NC2(CCCC2)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N1	643573248	RDMAEPNZRMKIDP-OOYKWLJTSA-N	637.782	1.351	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	2061000872	TUFDSEMWRYIOBO-DCTUBTFGSA-N	799.008	1.328	0	40	KDAB	
CCOc1ccc(N(CC(=O)NC[C@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)S(C)(=O)=O)cc1	6600924	ZKIGAISWWGTUJX-IBGZPJMESA-N	584.717	1.337	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1	225860670	KNDRKHMKNAFDJR-UHFFFAOYSA-N	513.594	1.129	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	252694963	SKHJNNFXCKTDBG-OYKWIDGJSA-N	708.886	2.000	0	40	KDAB	biogenic
NCCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@H](O)[C@H](O)[C@H]2n2cnc3c(N)ncnc32)cc1	257220929	DMVNEGZXTXLHMA-OQYVESBJSA-N	531.617	1.762	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)cc2c1OCCO2	524730812	YIQLYAUXNJTRBW-UHFFFAOYSA-N	561.613	1.338	0	40	KDAB	biogenic
O=S1(=O)CC[C@@H](N(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1	575422388	BPPJQDCMIOJAQP-QZTJIDSGSA-N	617.576	1.964	0	40	KDAB	
CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C3CCN(CCC(N)=O)CC3)CCO2)C1=O	643555793	CBRMFJDZOXBSLQ-MUUNZHRXSA-N	514.667	1.825	0	40	KDAB	
COCCN(C)C(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643564834	ISSNZMOZTNOJLJ-BHDDXSALSA-N	518.655	1.734	0	40	KDAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)c2c(F)cccc2F)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643586326	ACYOBTKFUQSRCU-CRJVXGLXSA-N	530.609	1.844	0	40	KDAB	
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F	9577354	ORQSHWUBDKDFCP-NRFANRHFSA-N	506.531	1.658	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1	20101163	KFHNKRFRXGCYHO-XMMPIXPASA-N	506.607	1.118	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1	44900198	JZNDEKITVJIIDZ-UHFFFAOYSA-N	503.986	1.993	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@@H]12)OC(=O)[C@H]3CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	70665981	XNZOOKULEFZSKF-VSLJHXCZSA-N	556.656	1.716	0	40	KDAB	biogenic
COC(=O)Cn1/c(=N/C(=O)c2ccccc2I)sc2cc(S(N)(=O)=O)ccc21	100876813	HYYVTSNKUJYYFE-JZJYNLBNSA-N	531.353	1.869	0	40	KDAB	
Cn1c(=O)c2c(nc(Cc3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(Cc6nc7c(c(=O)n(C)c(=O)n7C)n6C)cc5)cc4)cc3)n2C)n(C)c1=O	150375626	TWXHBTNTVVVIEW-UHFFFAOYSA-N	728.770	1.941	0	40	KDAB	
O=C(O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253399166	IMTRVWVKXAEDNP-AUXUOOQGSA-N	673.771	1.823	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566028	OENHKXAIRAIAMI-DQEYMECFSA-N	586.645	1.541	0	40	KDAB	
O=C(COC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)NC(=O)Nc1ccc2c(c1)OCCO2	103065354	SOIORYXNGLSYOE-UHFFFAOYSA-N	530.559	1.948	0	40	KDAB	
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1O	108647042	IPSYPUKKXMNCNQ-KOFHJDLBSA-N	544.737	1.062	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2	253406993	VNCYREQWBDDEHN-GEMTWJNPSA-N	542.677	1.723	0	40	KDAB	
Cn1c(=O)n(C)c2cc(NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)ccc21	408603953	GNNZRASRHZTWJW-UHFFFAOYSA-N	514.345	1.886	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643565996	OAGIXQRGWGZRRW-RZFJZAQRSA-N	586.649	1.141	0	40	KDAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)c2cnccn2)CC3=O)CC1	958317702	FUNLSYLTCODUGL-GOTSBHOMSA-N	532.645	1.696	0	40	KDAB	
CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)NC(=O)N[C@H]1c1ccc(C)o1	12755428	ZFZKUAHTTHJOTL-IBGZPJMESA-N	507.521	1.533	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1C	15934912	VGOUMMGPKIWPAI-OAQYLSRUSA-N	528.693	1.919	0	40	KDAB	
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	20032386	KJZWRFLYRANYST-UHFFFAOYSA-N	507.634	1.951	0	40	KDAB	
CCN(CC)CCNC(=O)c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1	70664710	YAQKKPAGOYYBGW-JBMSBTKCSA-N	596.630	1.229	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	97990165	MAMQUBNNNVOLHE-HSZRJFAPSA-N	530.603	1.397	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C4CCOCC4)NC3=O)O2)cn1	514287418	AKNMVXAOJQVVFS-QIJYUAQKSA-N	553.660	1.246	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576415	XTAMCUOOVLDEFJ-WAKHXKBOSA-N	648.805	1.544	0	40	KDAB	
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3	2109688	TXIKBQYWWSLPJI-KWMCUTETSA-N	525.602	1.355	0	40	KDAB	biogenic
COc1cccc(NC(=O)N[C@H]2CCN(C(=O)c3cnccn3)[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1	4200998	OJQUBMLAVHESFJ-XJUOHMSHSA-N	531.573	1.103	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6546800	ODOGOUXBLKIJOP-HXUWFJFHSA-N	511.560	1.900	0	40	KDAB	
Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1S(=O)(=O)N1CCOCC1	13138555	HIAPYCYWONZCQM-VWLOTQADSA-N	512.588	1.738	0	40	KDAB	
COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1	20031613	IOBZHBBHFBHDLA-NRFANRHFSA-N	517.629	1.857	0	40	KDAB	
COc1ccccc1N(C[C@H](O)CN1CCN(CCN2CCCC2)CC1)S(=O)(=O)c1ccccc1	61721389	PPMYVDZREBGORA-HSZRJFAPSA-N	502.681	1.965	0	40	KDAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2	100293895	AUTJONPJKVTSFC-KXQOOQHDSA-N	543.598	1.919	0	40	KDAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1	103102410	UQQAOKJAELLDGU-UHFFFAOYSA-N	529.358	1.979	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	103400544	ARPVHNFYZHWCNQ-LLVBAIKDSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@@]5(O)[C@@H](OC(=O)[C@](C)(O)[C@@H](C)OC(C)=O)CC[C@@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O	252694392	KBGNYIWYDYVUFP-AIUIMOEPSA-N	793.948	1.607	0	40	KDAB	biogenic
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	255271134	UCVNVSOIAFGLPL-UUWFFIQNSA-N	766.966	1.928	0	40	KDAB	biogenic,in-vitro
CC(=O)Oc1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1	1357109278	FZJXLBPFTVVPPQ-MCEBTLFFSA-N	652.752	1.894	0	40	KDAB	
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	3430957	ZYKKDSQFVNNTCY-LJQANCHMSA-N	505.574	1.692	0	40	KDAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1	8918268	PTOOQKNTJVEKGC-PBEJRMEISA-N	525.624	1.361	0	40	KDAB	biogenic
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](CCCCNC(N)=O)C(=O)NCC(=O)O)c(C)c3cc2c1C	11865605	QSGBURYIUZANRN-LJQANCHMSA-N	528.562	1.921	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1	13015939	WYNHSOWYCKREME-INIZCTEOSA-N	500.668	1.640	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	20031418	QJFYPFLOGQTNAW-QGZVFWFLSA-N	511.622	1.008	0	40	KDAB	
CC[C@]1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	22796956	JVRWLYWKAJTQFS-MUUNZHRXSA-N	518.570	1.240	0	40	KDAB	
COC(=O)[C@@]1(Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1	77319854	OSBBVRZZLWPPFC-BCIJPJQQSA-N	703.572	1.712	0	40	KDAB	in-vitro
CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCC1	97940070	NBTJDPSAJZDMSX-KIHHCIJBSA-N	540.610	1.611	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	408630450	UTPDLKCCPGPJEK-UHFFFAOYSA-N	523.608	1.365	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585275084	VYYSLIAPTGVMAV-NDEPHWFRSA-N	549.615	1.777	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	605858093	KXHCYYSIAXMSPA-UQOSNENUSA-N	869.055	1.866	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582671	RTAUTBXPKSOCGX-UIOOFZCWSA-N	584.677	1.497	0	40	KDAB	
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)C2=O)cc1	8692554	RMRVINBUXNAPJW-XMMPIXPASA-N	500.577	1.730	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(OC)c(OC)c4)C3=O)CC2)cc1	102895807	UOUBGEVCVMYWDN-RUZDIDTESA-N	546.602	1.013	0	40	KDAB	
CC[C@H](C)[C@H](O)C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](C)CC)[C@H](C)CC)[C@@H](C)CC)[C@@H](C)CC	253480986	CPKXIKIVLSMABL-NMTNOPJFSA-N	752.892	1.204	0	40	KDAB	biogenic,in-vitro
C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC2)OC[C@@H]1n1cc(Cl)c(O)nc1=O	257273139	NFKLWXONGIRDMQ-JTSKRJEESA-N	507.927	1.453	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	257619567	XERVTTUAMKCJIM-CSFCOCALSA-N	740.928	1.442	0	40	KDAB	endogenous,in-man
COC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC2(CCCCC2)C(=O)N[C@H](C(C)C)C(=O)NCCOc2ccccc2C(=O)N1	643568611	XWTWHZDELAFYDQ-RZPFDVGOSA-N	599.729	1.281	0	40	KDAB	
O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1csnn1)CC2	1548889083	GFKPUNUFQMXTEA-YADHBBJMSA-N	577.729	1.490	0	40	KDAB	
C[C@]12CC[C@H]3[C@@](C)(CC[C@H]4O[C@@H]5O[C@@](C(=O)O)([C@H](O)[C@@H](O)[C@@H]5O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)[C@]34C)[C@@H]1C(=O)C[C@@H]1[C@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C	2060999564	CEPUGFRUPFDWKE-UEJDOBOVSA-N	808.915	1.689	0	40	KDAB	
CCCn1cc(C(=O)N2CCN(C=O)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337861	YSXGMXMMWXRTTR-UHFFFAOYSA-N	509.032	1.372	0	40	KDAB	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1Cl	224562890	QFVPXKUXNLZJNV-UHFFFAOYSA-N	504.970	1.957	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccncc4)C[C@H]3C(=O)NC[C@H]1O2	514287389	RQQUSFDQJJWLHM-CFJXPYFLSA-N	564.687	1.931	0	40	KDAB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	12568375	ZGJVYAHPROITMB-UHFFFAOYSA-N	514.526	1.866	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnnn2-c2cccc(C)c2)c(N)n(Cc2ccccc2)c1=O	13056495	HZJMSADZXFBHBB-UHFFFAOYSA-N	521.559	1.073	0	40	KDAB	
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)c(OC)c1	13672795	XRQGTWXWSVQNCU-UHFFFAOYSA-N	511.622	1.311	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)ccc12	71788382	UBDSSFSCFSBQIR-TZYHBYERSA-N	521.618	1.728	0	40	KDAB	
CC[C@H](C)N1[C@H]2OC(C3O[C@@H]4[C@@H](O3)N([C@@H](C)CC)S(=O)(=O)N4[C@@H](C)CC)O[C@@H]2N([C@@H](C)CC)S1(=O)=O	98003594	LRTSTELZGUFNQB-QGBULDMBSA-N	554.732	1.955	0	40	KDAB	
O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	101641405	QHJOJRARHSOROG-HOTGVXAUSA-N	527.983	1.018	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN(C)C)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643567298	YCBDEBMAIVGJLU-HJNYFJLDSA-N	515.655	1.157	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643576614	WEFWLQMWRLMLOM-VMPREFPWSA-N	673.767	1.900	0	40	KDAB	
CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N	19941033	RCALPRHQEWCMCJ-GOSISDBHSA-N	506.604	1.394	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3OC)CC2)cc1	59816491	DDFIKKKUBMMKEL-QHCPKHFHSA-N	537.617	1.350	0	40	KDAB	
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)O)CC1	70700159	NXJYJHDDQUZYBZ-HJPURHCSSA-N	531.569	1.783	0	40	KDAB	biogenic
O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	97940316	SITPUSZBEVXPNZ-UHFFFAOYSA-N	566.658	1.086	0	40	KDAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(OC)cc1	100685763	MKQSVMZJYBKMOG-LSSXRZCCSA-N	536.606	1.957	0	40	KDAB	
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1	103014352	FCJGGBJFFQPLJV-UHFFFAOYSA-N	541.717	1.968	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	103096865	UIAMORQITANULD-UHFFFAOYSA-N	543.595	1.201	0	40	KDAB	
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O	255274863	WCHBFWOEFOZHMK-BQJHDQNYSA-N	766.966	1.926	0	40	KDAB	biogenic,in-vitro
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C)C4)cc2)CC1	4177738	BLDRJMWJTCGCQG-UHFFFAOYSA-N	535.648	1.550	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(I)cc1	96022558	JJOVPOMGAIBSLV-KURKYZTESA-N	535.287	1.588	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(CN4C(=O)c5ccccc5C4=O)CC3)n2CCCc2ccccc2)n(C)c1=O	102760928	UOHABUKHSWIXMD-UHFFFAOYSA-N	541.612	1.442	0	40	KDAB	
C[C@H]1CC[C@]2(NC1)O[C@@H]1C(=O)[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C	253532282	RBCXKPQLDXSOQW-SOUXGLJZSA-N	737.928	1.222	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@@H](CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)[C@@H]3[C@@H](O)[C@@]12C	504390736	XNZOOKULEFZSKF-UDSIXPBUSA-N	556.656	1.716	0	40	KDAB	biogenic
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CCO)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582608	QTNQBGNQBWEGNX-DQEYMECFSA-N	550.656	1.374	0	40	KDAB	
Cc1cc(=NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)[nH]n1C	2037879450	XFASFNDWMQYTHL-JIMJEQGWSA-N	562.715	1.770	0	40	KDAB	
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O	12566841	JAYYTKONGNRQTP-QFIPXVFZSA-N	506.968	1.767	0	40	KDAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1	12711360	DOVNCQAEQONNMA-SQGPQFPESA-N	517.608	1.491	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	59852187	OXXPLUFNGBXEQG-UHFFFAOYSA-N	546.067	1.744	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	224255844	YZWSGLDKSSALLS-OAQYLSRUSA-N	513.638	1.685	0	40	KDAB	
CC[C@H](C)C(=O)O[C@H]1[C@@H]2[C@@H](C[C@]34O[C@]5(O)[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]23O)[C@]4(C)CC[C@H]5OC(=O)[C@](C)(O)CC)[C@H]2CN3C[C@H](C)CC[C@@H]3[C@](C)(O)[C@@H]2[C@H]1O	242547825	KUVBGCMJMQPNOD-KHKYMITRSA-N	793.948	1.607	0	40	KDAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc(OC)c1O	245228891	IHWRBHBKLZOBIG-CGPOOAKUSA-N	518.569	1.717	0	40	KDAB	
CCc1ccc(S(=O)(=O)NCCN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(CC)cc2)cc1	575422884	XLMXXLGWKVMZEV-FQEVSTJZSA-N	514.691	1.968	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N1	643573647	UUGFIQLTIRSHPY-ORQXCSHSSA-N	625.771	1.063	0	40	KDAB	
COc1cc(NC(=O)c2cc3ccccc3cc2O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(OC)cc1Cl	4544940	UJPWFVGXQNDAFV-UMBJODAVSA-N	519.934	1.941	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@@H]1C(=O)O	38139991	ZDTDTQOXWAEZGP-BDTNDASRSA-N	538.626	1.787	0	40	KDAB	biogenic
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C	61967729	NHIKPSCRZQKVBK-GMAHTHKFSA-N	519.595	1.458	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@@H]2SC1	97945451	WSCPUQTYWBJXKL-XPTSAGLGSA-N	527.275	1.117	0	40	KDAB	
CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982447	VSYCVAPNKPSBDO-UHFFFAOYSA-N	541.992	1.783	0	40	KDAB	
C[C@@H](C[C@@H](C)C(=O)O)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)O)CCOCCOCC1	584905899	XBBJVBAFVSRBOC-FNAHDJPLSA-N	546.658	1.217	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@H]1C=CCCNC(=O)C=C[C@H](C(C)C)NC1=O	958322904	AXZPAGVFIVOODG-LBFCPWMRSA-N	507.632	1.067	0	40	KDAB	biogenic,in-vitro
COc1ccccc1CN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889846	KXUKVFHLDGJYFS-RPBOFIJWSA-N	600.738	1.589	0	40	KDAB	
COc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)c(OC)c1OC	15277098	KJYVYBRDSFBNFC-UHFFFAOYSA-N	518.573	1.629	0	40	KDAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	19817800	REPQWFAWIFYBPR-DNQXCXABSA-N	524.574	1.957	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	20104177	PXHNOSUZRJBXRJ-UHFFFAOYSA-N	514.601	1.870	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1C	59838589	OUFKJYWXOICOLX-NRFANRHFSA-N	551.687	1.742	0	40	KDAB	
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](OC)[C@H](O)[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1	77301157	FIDOCHXHMJHKRW-GKVQVCCJSA-N	615.720	1.287	0	40	KDAB	
COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccc(N2CCN(c3ccc(C(=O)c4c(C(=O)OC)nc(N)nc4C(=O)OC)cc3)CC2)cc1	150405911	FWBOEMMGRSEYSQ-UHFFFAOYSA-N	712.676	1.366	0	40	KDAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222934126	SKOPBYSUNATTKB-BWKNWUBXSA-N	575.684	1.807	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C	253501977	SKHJNNFXCKTDBG-RERYCBCKSA-N	708.886	2.000	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575265	AYGROAIZJSQUFZ-MALMBIFMSA-N	698.821	1.455	0	40	KDAB	
CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@]34[C@H]5C[C@]6(O)[C@H](OC(=O)c7ccccc7)[C@H]5[C@@](OC(C)=O)([C@H](O)[C@H]6OC)[C@H]([C@H]13)[C@H](OC)[C@H]42	2060990651	RIPYIJVYDYCPKW-DBOGUAHASA-N	687.783	1.219	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1	12541944	YLURAGSWPKIHGD-QGZVFWFLSA-N	515.009	1.621	0	40	KDAB	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	38145838	YTNXXBGJZHLMFF-UHFFFAOYSA-N	534.081	1.498	0	40	KDAB	
CC(=O)Oc1ccccc1C(=O)OCCOCC(=O)OCCOC(=O)COCCOC(=O)c1ccccc1OC(C)=O	263583732	WCQXGLQPCNRZPS-UHFFFAOYSA-N	590.534	1.671	0	40	KDAB	
C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	1529054567	KRQDMAXNTWLTDZ-GRJWLEGJSA-N	721.929	1.963	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6089349	ZHLKCDPKXSSIFY-NRFANRHFSA-N	556.601	1.299	0	40	KDAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224456189	DDYLOHXDIKUDGO-KRWDZBQOSA-N	529.612	1.196	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	224468335	NXNCVCKPXGKNCU-UHFFFAOYSA-N	572.105	1.957	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576591	UPJJSGARHUFWMM-NSOVKSMOSA-N	657.772	1.633	0	40	KDAB	
CO[C@H]1CN(C(C)=O)CCCN(Cc2cccc(OCCCn3cccn3)c2)CCCCOC[C@H](O)[C@@H]1O	643584500	BOMUCPDIAOSSHP-KCHLEUMXSA-N	532.682	1.940	0	40	KDAB	
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	1775953414	PLPFXMANEVIMMP-NRFANRHFSA-N	631.683	1.261	0	40	KDAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1OC	15980538	VTZVVRNRXZGLLG-UHFFFAOYSA-N	512.968	1.851	0	40	KDAB	
COCCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994530	ZXNRQABWTRHPOM-UHFFFAOYSA-N	505.531	1.869	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1ccc(Oc2ccccc2)cc1	54313926	VRJVUHUOWCEAGQ-XMMPIXPASA-N	529.601	1.747	0	40	KDAB	
COCCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	95567078	IIYDAPFUHXABBQ-UHFFFAOYSA-N	549.584	1.873	0	40	KDAB	
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCOCC1	140139446	RQPPFNROXAJBQR-INIZCTEOSA-N	529.662	1.817	0	40	KDAB	
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCOCC1	12618597	SAESWUGYDGYBKD-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13301312	XYWZWQBEWGQXQR-CVCYMHMSSA-N	515.515	1.582	0	40	KDAB	
CCOC(=O)C1=C(CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)NC(=O)N[C@@H]1CC	22920533	KCKPTQHNBNAFDR-MRXNPFEDSA-N	514.652	1.890	0	40	KDAB	
CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nn12	28357928	KZFHUILKKFVOMB-UHFFFAOYSA-N	504.613	1.043	0	40	KDAB	in-vitro
CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1cc(F)ccc1OCCOc1ccc(F)cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O	95696908	XREZMAAQVYVESP-UHFFFAOYSA-N	800.670	1.291	0	40	KDAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224267379	AGWXKRBABREYCK-OAQYLSRUSA-N	513.638	1.685	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3978071	VJJPUSNTGOMMGY-RNTRQOPHSA-N	588.562	1.339	0	40	KDAB	in-vitro
O=C(CCCN1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	13128422	RDTCLVNUMASLKR-UHFFFAOYSA-N	520.677	1.306	0	40	KDAB	
CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1	67338017	PFCAUOCKKYHHHF-UHFFFAOYSA-N	523.059	1.713	0	40	KDAB	
NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70705178	KMXXAGHAVMAMID-SDHOMARFSA-N	585.617	1.036	0	40	KDAB	biogenic
COc1ccc2c(c1)c(CC(=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1	97943261	QCBWEVBGELGABM-KEPQXFQLSA-N	533.917	1.278	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@H]2C1	253389263	DZVIFFMYEULLBY-GLWOCQPCSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O	2048392549	QEPUDTSAZMRYEH-UARRHKHWSA-N	526.634	1.356	0	40	KDAB	biogenic
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N[C@H]1CCCc3ccccc31)c(=O)n2Cc1ccccc1	3405293	IFMFPUKGQOMPHC-QHCPKHFHSA-N	545.596	1.791	0	40	KDAB	
CCOC(=O)[C@H](NC(=O)[C@H](CCCCNP(=O)(OCC)OCC)NC(=O)[C@@H](C)NC(C)=O)C(C)C	5541598	NSLRJXLINGVTRI-NZSAHSFTSA-N	522.580	1.641	0	40	KDAB	
CCN(CC)Cc1nc2c(c(=O)n(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)n2C)n1C	8426073	JSUNPHWNQFCCRJ-UHFFFAOYSA-N	517.583	1.548	0	40	KDAB	
CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)CC1	9764137	SIPKNICGPPZPJN-QHCPKHFHSA-N	505.568	1.835	0	40	KDAB	
CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1	12293887	IDZJNGYMSTVVFT-UHFFFAOYSA-N	511.582	1.841	0	40	KDAB	
COCCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12848764	GFLOCSRUHVHWGU-UHFFFAOYSA-N	503.515	1.552	0	40	KDAB	
COc1ccc([C@@H]2OC[C@H]3O[C@H](Oc4ccc([N+](=O)[O-])cc4)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3O2)cc1	94303106	KPWDKWQHZWJURT-VFAUTJGJSA-N	790.728	1.794	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc(C(N)=O)c(C)c3C(=O)OC(C)C)CC2)cc1	97945904	KCAWVLRYAFYAQU-UHFFFAOYSA-N	538.648	1.674	0	40	KDAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876636	GDYVDFSLIQUTLC-GYHWCHFESA-N	552.656	1.439	0	40	KDAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@@H](C)N(c2cc(S(=O)(=O)N(C)C)ccc2C)C(=O)[C@H]1C	102846827	KYBKAGMGJFUKHU-QZTJIDSGSA-N	536.676	1.961	0	40	KDAB	
COc1ccccc1-n1c(O)c(C(c2ccccn2)c2c(O)n(-c3ccccc3OC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	103770543	LOQLOECJQTZINM-UHFFFAOYSA-N	557.519	1.369	0	40	KDAB	
C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222702484	ONCIEWQTOLDEKN-XUZZJYLKSA-N	545.658	1.799	0	40	KDAB	
CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2ccccc21	224320744	JYPHPENHGIZHLQ-NRFANRHFSA-N	509.606	1.193	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O	257623882	XOEUHCONYHZURQ-BLSRBGKJSA-N	751.927	1.878	0	40	KDAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCNC(=O)c1c(F)c(F)cc(F)c1F	307761607	ICDZXRGASGEKPP-BSRJHKFKSA-N	594.628	1.865	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NC1CCCCC1)CC2	1548890507	QZGBGMRIIGKDLX-RPWUZVMVSA-N	605.758	1.423	0	40	KDAB	
CCOC(=O)[C@H](NC(=O)[C@@H](CCCCNP(=O)(OCC)OCC)NC(=O)[C@@H](C)NC(C)=O)C(C)C	5541593	NSLRJXLINGVTRI-BHIYHBOVSA-N	522.580	1.641	0	40	KDAB	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1	38139529	OTEWNKQGDPZNFF-UHFFFAOYSA-N	525.992	1.858	0	40	KDAB	
CSCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70699887	MSTHUMOXXUDDCG-FSSWDIPSSA-N	538.626	1.787	0	40	KDAB	biogenic
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100876759	FGYGKTREYJLPMS-TXKIEDGSSA-N	566.683	1.685	0	40	KDAB	
CCC(=O)c1ccc(OCC(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)cc1	103085175	FLOAPUCNDPLBBB-UHFFFAOYSA-N	537.525	1.211	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](NC(=O)CCCCCNC(=O)OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	106051357	IOPFVSXJJUSZIV-PCLULWIESA-N	593.630	1.246	0	40	KDAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccccc1F)S(C)(=O)=O	224255570	MLHMDMFEMYRMOI-LJQANCHMSA-N	501.602	1.816	0	40	KDAB	
CCCC[C@@H]1CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@H](O)C[C@@H]2O[C@@H]2C=CC(=O)O1	255988650	MUAOHYJGHYFDSA-KTUJNNDKSA-N	707.814	1.290	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)[C@@]3(C)CO)OC[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	257543931	SOLICHUQXFAOEP-KYHUTYONSA-N	913.108	1.345	0	40	KDAB	biogenic,in-vitro
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643585302	XGWARHUXGADSNI-UIOOFZCWSA-N	628.771	1.324	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	2654885	KLCWTYHUSVJNFZ-UHFFFAOYSA-N	521.552	1.690	0	40	KDAB	
CC1=C(C[C@H]2C(=O)N(c3ccccc3)S(=O)(=O)N[C@H]2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C	5810621	QGIHEFHWYZSHNW-HNAYVOBHSA-N	504.590	1.760	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20033080	GDYPYWYBOPYNKO-UHFFFAOYSA-N	523.677	1.987	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(CCCNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	22585420	ZSGSQSAKYJHOTJ-UHFFFAOYSA-N	594.760	1.258	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1	22933533	UMLJFMFQQXSCOK-NRFANRHFSA-N	511.554	1.028	0	40	KDAB	
CCOC(=O)[C@H](Cc1ccccc1)NC(=S)N1CCN(c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)CC1	98007311	DBNRAVCSPPSJCZ-FQEVSTJZSA-N	538.630	1.681	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1	100876590	UDGVTGWCLPVQQM-LNVKXUELSA-N	540.645	1.295	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	103583468	PAZSQCSFSMTWFD-KIHONOKQSA-N	532.578	1.717	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)C(N)=C(C)[C@@H](O)[C@@]1(C)O	253623262	IEEOVDVBJXYXAJ-HFXBJDCHSA-N	732.953	1.813	0	40	KDAB	
CCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	504636604	YBXSCTVUXLDXFV-PLFWLVBQSA-N	578.644	1.934	0	40	KDAB	biogenic
NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524730941	CZWAPYJCSUJWSF-KPFFTGBYSA-N	519.554	1.905	0	40	KDAB	biogenic
CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573843	ZROMNSNSWCHCGD-ARFQCTDUSA-N	676.815	1.353	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1Cl)CC2	1548889792	KHBBKGZWBYIQAF-VWNXMTODSA-N	606.145	1.629	0	40	KDAB	
CCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12799837	UUNQPWJOTFYORQ-UHFFFAOYSA-N	517.633	1.682	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Sc1nnc(COc2cccc(C)c2)n1C	101575224	YTBVPOCZQCDXAS-HCSYDALLSA-N	564.617	1.451	0	40	KDAB	
O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	103096854	MEBBFPQKQCLUDC-SFHVURJKSA-N	546.639	1.352	0	40	KDAB	
O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	216187660	IYSVEZHABGFYEX-UHFFFAOYSA-N	509.625	1.901	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O	32988046	URKJDOYLKVLTEU-UHFFFAOYSA-N	504.632	1.556	0	40	KDAB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O	97980036	PFODULMRBOOQGJ-IJDCCNJMSA-N	576.031	1.135	0	40	KDAB	
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)OCCS(C)(=O)=O	98045067	KWWBDQJVWHHYRX-RTWAWAEBSA-N	614.718	1.315	0	40	KDAB	
CSCC[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	103013878	VAQRAIRRIIFXAS-UFXRUVHKSA-N	534.638	1.618	0	40	KDAB	
CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OCC)S(=O)(=O)[C@@H](CCN(CC)CC)S1(=O)=O	245232330	SMRFNRKONBWLTL-FGYAAKKASA-N	503.639	1.535	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C(=O)OC(C)(C)C)CCN4C3=O)O2)cn1	253404557	RDOZZCRXZJBDIF-ALJFMCDRSA-N	569.659	1.956	0	40	KDAB	
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	11679396	FAXGPCHRFPCXOO-IZMDAZHNSA-N	685.904	1.467	0	40	KDAB	biogenic
Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1C	19823454	QZSFOTDYNGVLDR-UHFFFAOYSA-N	501.697	1.876	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	32992666	NAKCJAPYVRXEOP-UHFFFAOYSA-N	503.624	1.209	0	40	KDAB	
O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)CC1	97999555	TWNWNLQUGGAJEQ-JVSBHGNQSA-N	565.454	1.473	0	40	KDAB	
COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC1=N[C@@H]2[C@@H](C(=O)N(C)C(=O)N2C)N1C	223059107	SOWAOHYNVMQDIF-DSFUBLQRSA-N	518.555	1.364	0	40	KDAB	
Cc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1N1CCCC1=O	224471112	DZKCMCUDKSKMHT-UHFFFAOYSA-N	523.633	1.500	0	40	KDAB	
COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1	408578259	KOCIFMBRGRSZNS-HXUWFJFHSA-N	510.591	1.904	0	40	KDAB	
C/C(=C\C[C@H](O)[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@](C)(CC[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@]4(C)C(=O)O)[C@@H]3CC[C@@]12C)CO	1534685672	QRMBKHABIJSKEI-YRCMQQBOSA-N	815.007	1.071	0	40	KDAB	
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)CC1	9411482	NRYJRQHNPDYTGD-UHFFFAOYSA-N	504.594	1.149	0	40	KDAB	
CC[C@@H](C)NC(=O)Cn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2sccc21	9598821	UKAPZDXEYPSLPB-OAHLLOKOSA-N	502.593	1.516	0	40	KDAB	
Cc1cc(NC(=O)CSCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1	103117598	GVABMBKDXNTBAC-UHFFFAOYSA-N	531.012	1.384	0	40	KDAB	
CCN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1	226073625	CHYLUYIJVDONIV-UHFFFAOYSA-N	509.650	1.849	0	40	KDAB	
O=S1(=O)NC[C@H](O)CN(Cc2cccnc2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253398491	HGEVLDQSOVPDMM-WVZMWUMTSA-N	557.644	1.924	0	40	KDAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1	643564064	BSJIMPHPJJKRMY-FQEVSTJZSA-N	536.695	1.348	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565585	JMVQQZZJLOVKST-CVJWPJSTSA-N	557.651	1.896	0	40	KDAB	
C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CC(=O)N[C@@H](COC(C)(C)C)C(=O)N1	643572014	TYXBDZYRGBXUJH-OIBXWCBGSA-N	538.645	1.731	0	40	KDAB	
CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1	2240104	MTFWYRSDRQXBCK-STIKNRRDSA-N	522.579	1.567	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)cc4C)[C@@H]3SC2)s1	2730756	KEWFPRTVCZZPJJ-WFASDCNBSA-N	534.567	1.901	0	40	KDAB	
COCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3442957	MODMOKOBAVXHNK-UHFFFAOYSA-N	536.614	1.576	0	40	KDAB	
CSCC[C@@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)O	4544729	RDQXFDPVOCUTTL-KURKYZTESA-N	563.458	1.802	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	4990510	ZKKFZJLKAPCULX-WXRGLTTHSA-N	530.324	1.262	0	40	KDAB	
COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC	6239492	IYPDCILTRIHGKP-KOSHJBKYSA-N	549.588	1.851	0	40	KDAB	
COc1ccc(Cl)cc1N(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)S(C)(=O)=O	10288072	YUQFZIFPSWGGOJ-UHFFFAOYSA-N	516.041	1.956	0	40	KDAB	
CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12	11866997	ACEFRWYFDOKEAJ-WINIVTDRSA-N	513.591	1.510	0	40	KDAB	biogenic
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc3C2=O)cc1	16044858	AJKIJVCVCXMXRS-SFHVURJKSA-N	513.528	1.248	0	40	KDAB	
CC(=O)O[C@H]1C[C@]2(O)C[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C	100018834	HZONGTIGNCOSIU-OCOKNRCZSA-N	510.580	1.180	0	40	KDAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226085767	IUYDVCHTXLNFGB-UHFFFAOYSA-N	509.650	1.897	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643567664	OSAJMBVDZXZVLO-BJKOFHAPSA-N	554.692	1.704	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575243	ADAMIMPYIJHAMV-DTXPUJKBSA-N	662.832	1.934	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CCO)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582719	VFLHTZVYVWIGQI-UIOOFZCWSA-N	564.683	1.765	0	40	KDAB	
CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cc(OC)ccc4OC)CO[C@H]23)c1	4235462	QJKSIXNPHIYEKJ-RGMHLJPOSA-N	536.559	1.942	0	40	KDAB	biogenic,in-vitro
COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)N2CCN(C)CC2)cc1	20080676	SKKPYIDQKRKDHI-DEOSSOPVSA-N	505.579	1.926	0	40	KDAB	
Cc1c(C(N)=O)sc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1C(=O)OC(C)C	20295006	BCBLIXYNTXKJSE-UHFFFAOYSA-N	508.622	1.666	0	40	KDAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(C)cc2)cc1OC	22934790	MIEHOALDUWGBTL-UHFFFAOYSA-N	504.653	1.961	0	40	KDAB	
CCc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2=O)cc1	103038479	OTMMKKPHAITIMZ-FQEVSTJZSA-N	540.665	1.838	0	40	KDAB	
C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222702543	ONCIEWQTOLDEKN-ZJSXRUAMSA-N	545.658	1.799	0	40	KDAB	
CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@@H](O)C[C@@](C)(O)[C@H](n2cnc3c(N)nc(N)nc32)C1	257263521	LQHOEDQTLDCKOM-KGVVXCLESA-N	521.626	1.830	0	40	KDAB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1	575425699	HJDNYJAUSLBMJX-CQSZACIVSA-N	615.491	1.546	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585280248	KTOUAYUOEJLCRQ-NDEPHWFRSA-N	524.618	1.870	0	40	KDAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643576641	YNYKMOPDWMVCOC-RWSKJCERSA-N	685.778	1.996	0	40	KDAB	
CC(C)[C@@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12	1569992321	BGHDUTQZGWOQIA-VSHUXPDVSA-N	533.629	1.404	0	40	KDAB	
C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	2668024	JIUQQLFQWGFIKL-AIGLXMAKSA-N	576.628	1.722	0	40	KDAB	
CCOC(=O)CCCC(=O)N1CCOCCOCCN(C(=O)CCCC(=O)OCC)CCOCCOCC1	6546078	YDTJEFUXVZSKGA-UHFFFAOYSA-N	546.658	1.190	0	40	KDAB	
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c2=O)cc1OC	9669172	LRLDQKBWTCVCOO-UHFFFAOYSA-N	513.532	1.759	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(Cl)cc(Cl)c1	19961925	WGRVQZOVTUXPDY-GOSISDBHSA-N	522.389	1.700	0	40	KDAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	20638791	BVIHECXHKWZDLS-JOCHJYFZSA-N	507.591	1.197	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1	22829531	RDYASOILULHPBU-UHFFFAOYSA-N	504.653	1.961	0	40	KDAB	
Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C2	28022319	VDMIXURZCFZVBO-UHFFFAOYSA-N	550.062	1.658	0	40	KDAB	
O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	32945520	MDXSHOMZWNNPAZ-UHFFFAOYSA-N	520.951	1.253	0	40	KDAB	
O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	38139470	BVXDRRNTQIOMQR-UHFFFAOYSA-N	539.529	1.926	0	40	KDAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C[C@@H]2CCCO2)CC1	57595136	NOXDGLXDDQEGSR-JTSKRJEESA-N	510.551	1.787	0	40	KDAB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](OC(C)=O)[C@H]4[C@@]5(O)[C@@H](C[C@@]42O[C@]13O)[C@@H]1CN2C[C@@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@@H](OC(C)=O)[C@@H]5OC(C)=O	79214498	KDOHXSPHEMVVCM-QPTTVRMHSA-N	677.788	1.469	0	40	KDAB	
COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777654	GAAAJRPIITXURY-LJQANCHMSA-N	554.065	1.920	0	40	KDAB	
O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)Cn2cc(C(F)(F)F)cn2)CCO1)N1CCOCC1	585286265	YGPPFMRHXQZKLO-QFIPXVFZSA-N	514.476	1.967	0	40	KDAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576513	OAZJHXFNJUBAPM-ACHIHNKUSA-N	712.848	1.845	0	40	KDAB	
CNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NCC(=O)NC	6002340	PZDXJGPVGQVPCU-DHIUTWEWSA-N	618.732	1.084	0	40	KDAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1	7059049	DOVNCQAEQONNMA-UWVAXJGDSA-N	517.608	1.491	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)c1	20110408	HHULYDWFRONCEB-UHFFFAOYSA-N	527.621	1.902	0	40	KDAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	59816455	HFDOMMKSHGSQSH-QHCPKHFHSA-N	542.036	1.995	0	40	KDAB	
COc1c2c(c(S(=O)(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c3c1OCO3)CCN(C)C2	70712705	XJRCKFTZNNPUPF-HXUWFJFHSA-N	531.587	1.085	0	40	KDAB	biogenic
COc1ccc(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1	104176416	NPQREWVOCRVFGJ-HKUYNNGSSA-N	508.575	1.564	0	40	KDAB	
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224210049	FUKDUIBAXLJOQE-UHFFFAOYSA-N	504.030	1.860	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1	224441531	UATDZUTULVXKQB-UHFFFAOYSA-N	532.040	1.322	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225861469	VGFGKNCNINLAES-UHFFFAOYSA-N	523.633	1.844	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]34C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O	253389056	VVWSVSOPOPDXMM-CNEICVOPSA-N	941.118	1.825	0	40	KDAB	biogenic,in-vitro
C[C@H]1CC[C@@]2(NC1)O[C@H]1[C@@H]([C@H]2C)[C@@]2(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]2[C@H]1O	253532296	RNUHPRWYDXEBOM-DBSZXCQXSA-N	739.944	1.014	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	643568435	RUCBHKUCPHAIBJ-WIOPSUGQSA-N	599.660	1.054	0	40	KDAB	
Cc1nnsc1C(=O)N[C@H]1CCN(C(=O)c2ccco2)[C@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)C1	4221734	PBPIUPYIJHACCN-KSZLIROESA-N	510.576	1.056	0	40	KDAB	biogenic,in-vitro
CCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1	67338043	WQVNDPVDXPKEAI-UHFFFAOYSA-N	523.059	1.680	0	40	KDAB	
COC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(OS(=O)(=O)O)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	77286345	YLYDFNVTVUNKCE-YYDZWWTMSA-N	650.567	1.713	0	40	KDAB	in-vitro
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	79216638	VJJPUSNTGOMMGY-QIWJEKFPSA-N	588.562	1.339	0	40	KDAB	biogenic
COc1ccc(S(=O)(=O)N2CCN(Cc3c(O)c(=O)cc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)n3C)CC2)cc1	85877480	UEDOHPILCAUWCE-YADHBBJMSA-N	595.722	1.387	0	40	KDAB	biogenic
O=C(c1ccccc1S(=O)(=O)NC[C@@H](O)COc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)N1CCOCC1	100576449	ZWKVBOMSCBJWEN-PUHATCMVSA-N	569.636	1.333	0	40	KDAB	
COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC	103127270	UKDLCRFMEHPXER-UHFFFAOYSA-N	571.608	1.884	0	40	KDAB	
CC(=O)OCC(=O)Nc1c(I)c(C(=O)NC[C@@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)NC[C@H](COC(C)=O)OC(C)=O)c1I	150650809	MUJGKJDSVJWBLH-CALCHBBNSA-N	973.246	1.451	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	225544685	LWCLXKHGEYIXMT-AWEZNQCLSA-N	533.575	1.788	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(NC(C)=O)cc4)C[C@H]3C(=O)NC[C@H]1O2	253404008	QUGWQKQLAHHDJN-DXLYGPJMSA-N	607.708	1.549	0	40	KDAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccccc32)cc1	260888310	LHCQOLRGNWPXGT-HHHXNRCGSA-N	617.702	1.868	0	40	KDAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	408845022	XPJFVUIVNUZHBO-SANMLTNESA-N	634.758	1.410	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(CC(=O)Nc1cnn(C)c1)CC2	2037879716	MGNIBIUHMILQHL-AKIFATBCSA-N	514.671	1.843	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	2061000431	NWPTUAQJIALPLJ-COCWOKSTSA-N	801.024	1.120	0	40	KDAB	
COCCN(C(=O)CSc1nncn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	2620058	CRLMTXOSSLRQNC-UHFFFAOYSA-N	507.576	1.520	0	40	KDAB	
CCOC(=O)CCC[C@H](NC(=O)c1ccc(N2CCN(c3c(N)nc(N)nc3NC)CC2)cc1)C(=O)OCC	8652731	OLDKTQQMJBVUBD-IBGZPJMESA-N	542.641	1.404	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C)c(=O)n2Cc1ccccc1	12539884	YOLZYXXEXWKMNL-KDURUIRLSA-N	511.579	1.387	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1cc(Cl)cc(Cl)c1	19961949	HFSPXRIAIYIGDS-IBGZPJMESA-N	505.406	1.866	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)n1	20462741	CJBSGEPBGBOVLG-UHFFFAOYSA-N	522.584	1.976	0	40	KDAB	
O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(S(=O)(=O)c2ccccc2)CC1	23077531	FUYWPPTWLCKZLB-QHCPKHFHSA-N	501.586	1.692	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O	38152784	BLOGSEKBCNIDQU-UHFFFAOYSA-N	542.058	1.653	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(=O)COc2ccc(Cl)cc2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	59603623	RWHQILFVSQZCFE-QZUCXDRTSA-N	529.926	1.227	0	40	KDAB	
COc1ccccc1CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	8684068	YFOKZIALXYIBGU-IBGZPJMESA-N	526.409	1.280	0	40	KDAB	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ccc1OCC(=O)N1CCOCC1	13004078	LSIAKOHNPDKUIP-UHFFFAOYSA-N	521.567	1.219	0	40	KDAB	
CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1	19822956	SOPAQBYCEJWQQI-UHFFFAOYSA-N	501.697	1.822	0	40	KDAB	
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	20031340	ZYZDQZHAFXCCHD-HNNXBMFYSA-N	502.014	1.344	0	40	KDAB	
Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2=O)c1	101008230	BVRHMXXIGNIKEY-UHFFFAOYSA-N	536.614	1.401	0	40	KDAB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1	103007012	KFTFPNUPCMWVIT-UHFFFAOYSA-N	566.702	1.742	0	40	KDAB	
O=C(OC[C@@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	150393781	LKYVQJCRMHFBND-KPARNRDPSA-N	642.621	1.974	0	40	KDAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224267434	AGWXKRBABREYCK-NRFANRHFSA-N	513.638	1.685	0	40	KDAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2CCC3(CCCCn4cc(nn4)COCCNC3=O)CC2)cc1	643563925	KBCCBWQKUQUEKX-UHFFFAOYSA-N	532.667	1.245	0	40	KDAB	
CC(=O)O[C@@H]1CO[C@H](Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5940395	AYHXGRCDXNVITL-VELGLUOQSA-N	517.495	1.354	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1C	13134497	SIACUAXGTXGISP-ZDUSSCGKSA-N	517.391	1.970	0	40	KDAB	
COc1ccccc1C(=O)NCC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152283	NOIAOUFOXZQUEN-UHFFFAOYSA-N	537.573	1.138	0	40	KDAB	
CCOC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)[nH]c(=O)c2c1C	102986423	UQAIDXMFMWVDRR-UHFFFAOYSA-N	534.616	1.747	0	40	KDAB	
CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@]25C[C@H](OC)[C@H]2C[C@@]3(O)[C@H]5[C@@H]2OC)[C@@H]14	253590236	DTTPWCNKTMQMTE-AEBLDNBOSA-N	507.624	1.350	0	40	KDAB	biogenic,in-vitro
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)c1	408650604	BVTMWVPKAGFXKP-OAHLLOKOSA-N	501.492	1.396	0	40	KDAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274612	LLKQJFNDFHFTJU-MUUNZHRXSA-N	549.615	1.777	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N(C)CC1=O	643570658	NGMXQBSNIFOIPD-NRFANRHFSA-N	514.554	1.209	0	40	KDAB	
CCCn1ncc(C(=O)N2CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@H](CC(C)C)N(C(=O)COC)CC2)c1C	643586739	AHAMTGDLOYQGNT-LCGRTSHQSA-N	540.702	1.481	0	40	KDAB	
Cc1ccc(C(=O)COC(=O)Cn2c(=O)c3cc4c(=O)n(CC(=O)OCC(=O)c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1	2594436	FIDXEAVJAWIHGO-UHFFFAOYSA-N	596.548	1.381	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)cc1	4147857	OCGRSIDSUWMHIZ-FNAHDJPLSA-N	509.548	1.645	0	40	KDAB	biogenic,in-vitro
CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1=O	8692321	ZVAJYGDBOAOSPJ-UHFFFAOYSA-N	500.961	1.327	0	40	KDAB	
CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	15934917	GGUVKUXCPMYGGD-INIZCTEOSA-N	501.584	1.978	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O	67903281	CMZFNIMQBCBHEX-QCAAZADGSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4ccc(C(F)(F)F)n4)[C@@H]3SC2)s1	98045683	HTPRWZYSQLXDQD-FZMZJTMJSA-N	520.540	1.593	0	40	KDAB	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	103014574	XYYWLGZWYPUEBN-RUZDIDTESA-N	530.603	1.900	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCCOCCOCCOCCOCC2)cc1	141918622	CFRCONBWQLQZFM-MHZLTWQESA-N	564.701	1.810	0	40	KDAB	
CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC	224312581	FVTYCOQLOMAGIE-UHFFFAOYSA-N	511.622	1.587	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224496359	ARQNGTOIRLLKNK-UHFFFAOYSA-N	555.675	1.094	0	40	KDAB	
C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	226476200	JIUQQLFQWGFIKL-UMJVMTLOSA-N	576.628	1.722	0	40	KDAB	
CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@H](CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)[C@@H]3[C@@H](O)[C@@]12C	504390739	XNZOOKULEFZSKF-XYGXGPENSA-N	556.656	1.716	0	40	KDAB	biogenic
Cc1ccc(COc2ccc(Cl)cc2C(C2C(=O)NC(=S)NC2=O)C2C(=O)NC(=S)NC2=O)cc1	575443478	GIAHUCCABWVBIU-UHFFFAOYSA-N	531.015	1.605	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)c2ccccc2OCCN(C)C1=O	643566368	XIHVNQOPMKRNCJ-GOTSBHOMSA-N	566.655	1.687	0	40	KDAB	
Nc1cccc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)n1	643578576	YVYNGYBZJPQZGB-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2Cc2ccc(F)cc2)n(C)c1=O	9526059	TXSPGHJHRNOOLR-UHFFFAOYSA-N	506.538	1.672	0	40	KDAB	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1	13513700	OBVFYQDPLCCEJQ-OAQYLSRUSA-N	509.636	1.844	0	40	KDAB	
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N2CCN(C(C)=O)CC2)CC1	67336995	FAQUYUVKHUHHMW-UHFFFAOYSA-N	518.640	1.117	0	40	KDAB	
CO[S@](=O)(=S)CCNC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	72131089	WWCPISCDFZLLAA-CRMMIJNNSA-N	743.012	1.989	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)N[C@@H](CCCC(=O)OC)C(=O)OC)CC3)cc21	98007313	FGKALUCJARUKRG-SFHVURJKSA-N	550.609	1.740	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	102928781	OFASIVZFNJVYDM-UHFFFAOYSA-N	565.699	1.613	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621337	QKPHMWUSYGCZRT-IXSXPGEMSA-N	574.535	1.985	0	40	KDAB	
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)s2)c1	225565728	QRAMOGDRFQQRAG-UHFFFAOYSA-N	507.619	1.794	0	40	KDAB	
CC(C)(C)OC(=O)N(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	258840227	ZKSDGOCADPXMKW-KLMIGJKJSA-N	632.707	1.822	0	40	KDAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CS(=O)(=O)Cc3ccccc3)CC2)CN1	643565862	KSCYGLGEUCZSGG-XZOQPEGZSA-N	530.643	1.073	0	40	KDAB	
CS(=O)(=O)N1CCC(CC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1	643578592	HLDXSBYRZFDMGS-IZZNHLLZSA-N	594.775	1.393	0	40	KDAB	
C[C@H](O)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O[C@@H](C)C(=O)O	2060999825	VNKAYSKYAPOBNN-HFJPGXAFSA-N	577.109	1.026	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N	6546616	CTDYWQOOSBTGGM-HXUWFJFHSA-N	545.574	1.497	0	40	KDAB	
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1	59851989	UNLNDOJARBNEBE-UHFFFAOYSA-N	551.687	1.823	0	40	KDAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@@H]4C(=O)NC(=S)N(c5ccccc5)C4=O)c(=O)n32)cc1OCC	408939840	UMICQVMORUMNQN-XZWFBABRSA-N	606.682	1.831	0	40	KDAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC	575423490	FOOPVKYQXVIMDW-RUZDIDTESA-N	646.766	1.167	0	40	KDAB	
CCOCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643574782	QHFPAYVJYQDCSJ-DGPALRBDSA-N	657.768	1.935	0	40	KDAB	
COc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5cc(OC)ccc5OC)CC4)ncnc32)cc1	10256509	OIFJZCUISFRWHN-UHFFFAOYSA-N	511.564	1.747	0	40	KDAB	
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O	13112837	PCZFFBXIPJGTHM-XMMPIXPASA-N	502.568	1.824	0	40	KDAB	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2	14077915	HRYHWCMCISORDF-LJAQVGFWSA-N	522.646	1.654	0	40	KDAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1	20611409	VTGHXFNCEBBMSE-VDLCSRDCSA-N	510.934	1.626	0	40	KDAB	biogenic
CCN1C(=O)C([C@@H]2c3c(cc4c(c3OC)OCO4)CCC23C(=O)N(CC)C(=O)N(CC)C3=O)C(=O)N(CC)C1=O	100750312	UNAMYIIVCXTFCW-SFHVURJKSA-N	556.572	1.718	0	40	KDAB	biogenic
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	103558148	IEPCYJLTAGEWNI-PCFNYGMMSA-N	602.589	1.642	0	40	KDAB	
CCS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2	224309991	KWIPETOMWRAAGX-UHFFFAOYSA-N	539.632	1.551	0	40	KDAB	
C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O[C@@H]5O[C@@H](CO[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)C4(C)C)[C@@]3(C)[C@@H](O)C[C@@]12C	1529054883	SLAWMGMTBGDBFT-JVSYCTGOSA-N	801.024	1.120	0	40	KDAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19973306	LUHBDSQXVWRHRN-QFIPXVFZSA-N	507.551	1.700	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O	96131321	UCHGVQMTIJAUOM-RSGBUPOYSA-N	675.787	1.047	0	40	KDAB	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	575424375	KPBSEZSMBFRHMF-UWVGGRQHSA-N	504.628	1.924	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N[C@@H](C)C(=O)N1	643565842	PHJBMRIKORQTQB-LNBJVWSJSA-N	593.725	1.752	0	40	KDAB	
COCCN(C(=O)COC(=O)CCSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13020545	OUAKDRYZSROVCT-UHFFFAOYSA-N	512.588	1.872	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@@H]2SC1	13640328	IUTVAJOSFKUTOP-VSMXZANRSA-N	515.386	1.200	0	40	KDAB	
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	15634954	OJLNQZCFTFOMOY-ZDUSSCGKSA-N	503.986	1.439	0	40	KDAB	
CC1(C)[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)NC2=O	16577277	QTJLKUZRKQGTQP-ADLMAVQZSA-N	504.503	1.812	0	40	KDAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	20031887	RQMMHLVHAFGHPE-IBGZPJMESA-N	525.624	1.564	0	40	KDAB	
CCOc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224441994	PSOXPRYPJPQPMH-UHFFFAOYSA-N	541.648	1.067	0	40	KDAB	
Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1N(C)S(C)(=O)=O	224489330	XWMQBZHRFSUABY-UHFFFAOYSA-N	511.622	1.221	0	40	KDAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)C(C)(C)n3cncn3)CCO2)ccc1Cl	585284195	HNVRSNNUMOVYTN-XMMPIXPASA-N	506.003	1.901	0	40	KDAB	
CN1N=C(C(=O)N2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)CCC1=O	2037879754	OGAZMBORMVVBGU-ARNLJNQMSA-N	549.672	1.802	0	40	KDAB	
C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	12541784	SONJGXYRQUTSGZ-SNRMKQJTSA-N	526.011	1.280	0	40	KDAB	
COc1cc(OC)nc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1	12568631	XHHGBUWIYQGTDR-UHFFFAOYSA-N	500.375	1.201	0	40	KDAB	
CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70700618	NESDWFNGGHRDCW-UZQPLGKSSA-N	519.558	1.685	0	40	KDAB	biogenic
COC(=O)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)OC	85867094	WIJSRLHTMGNBMT-WMQCIHAUSA-N	652.698	1.278	0	40	KDAB	biogenic
COc1ccccc1OCCNC[C@H](COc1cccc2[nH]c3ccccc3c12)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O	97943142	PUVQFGCELBOSRN-VKCLISEFSA-N	582.606	1.655	0	40	KDAB	
CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccco2)c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	102924364	AKWYNISRPGIIOG-FWZUXHPASA-N	559.666	1.387	0	40	KDAB	
CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O	169663183	FEPMHVLSLDOMQC-KOBRJSKJSA-N	823.904	1.204	0	40	KDAB	
CN(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	224329125	DEQCMCPTVCQNSZ-UHFFFAOYSA-N	516.041	1.940	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389414	KEBWMOINOKSPFY-WTSVABCASA-N	941.118	1.260	0	40	KDAB	biogenic,in-vitro
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(CC5CC5)CCN4C3=O)O2)cn1	253394384	BAAMXGQSLNDJHN-FNFLUXIASA-N	523.634	1.431	0	40	KDAB	
CCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2	257294527	QUOQVTSVKYMVMK-NFQMXDRXSA-N	549.632	1.120	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1	575422937	DNNKDIYNYRDEEW-LWYYNNOASA-N	615.560	1.020	0	40	KDAB	
COc1ccc(S(=O)(=O)CC(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cc1	643564203	WXHWRKWOVYJYDJ-OALUTQOASA-N	523.652	1.288	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCNC1=O	643565101	SEQQFPAYQFVNTH-RBJSKKJNSA-N	577.682	1.653	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N(C)CC1=O	643570401	CXCICJIUGLUNIW-NRFANRHFSA-N	531.009	1.723	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCN2CCOCCOCCN(CCNS(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1	4016392	NGTUTZMSURWQHE-UHFFFAOYSA-N	656.868	1.244	0	40	KDAB	
COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC	10459591	SUZNOZYSZYQFKE-UHFFFAOYSA-N	501.561	1.930	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OC)c1	13003310	GTZABOZAEUHXTC-UHFFFAOYSA-N	507.565	1.444	0	40	KDAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3	13148999	NKKZNBZFZQRZMC-MRXNPFEDSA-N	507.682	1.532	0	40	KDAB	
CCOC(=O)N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	19961938	BYZGLPFGBUVXNM-KRWDZBQOSA-N	500.383	1.423	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1	35678178	IUTVAJOSFKUTOP-JVNDIYRMSA-N	515.386	1.200	0	40	KDAB	
C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C	253529665	LDPUCURQYIRVQU-GPHVHCFESA-N	670.881	1.875	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	257390715	BVDGQVAUJNUPGW-VCLUITHCSA-N	646.642	1.058	0	40	KDAB	biogenic
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cc3nonc3C)CCO2)ccc1Cl	585286368	OFZFPDBFZWULME-XMMPIXPASA-N	506.003	1.723	0	40	KDAB	
O=C1C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566083	OXRAHIRBKKZDBS-VMPREFPWSA-N	613.715	1.560	0	40	KDAB	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)N2CCC3(CC2)NCCc2[nH]cnc23)cc(OC)c1OC	8764848	RJNLUZUZPNRDJZ-SFHVURJKSA-N	517.652	1.951	0	40	KDAB	biogenic
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	19817801	REPQWFAWIFYBPR-BJKOFHAPSA-N	524.574	1.957	0	40	KDAB	
COC(=O)[C@@H]1O[C@H](Oc2cc(O)cc(I)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	72131456	OASKASZRFUXVAA-VDCDIQELSA-N	552.270	1.069	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277437	DURWVYJGVQVMMN-RLSLOFABSA-N	554.604	1.994	0	40	KDAB	
O=C(NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1	101008086	MISVBCDROXQNPX-UHFFFAOYSA-N	540.577	1.231	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1	224444310	QHBBALSNVHLPHH-UHFFFAOYSA-N	566.485	1.976	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	225498293	QGAHEHMOCYJMMS-UHFFFAOYSA-N	553.659	1.764	0	40	KDAB	
COc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1	225843235	HXOCHNVPQGQYAM-MRXNPFEDSA-N	527.621	1.518	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	253389083	IAGSHEHQJJTLLR-FNINEVAMSA-N	883.082	1.984	0	40	KDAB	biogenic,in-vitro
C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	584578337	VNONINPVFQTJOC-AMZYEQMHSA-N	869.055	1.242	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643567900	CKPLDVJODSXFLW-ZEQRLZLVSA-N	606.680	1.243	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1	6281150	PVRCOQSIWDVIPY-RCZVLFRGSA-N	552.636	1.224	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1OC	20755922	UILXXRNYDXFAKY-MJYNAXLSSA-N	506.559	1.241	0	40	KDAB	biogenic
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	97947589	ZAUSOJZBZXWUJX-VZMFNRANSA-N	543.623	1.977	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	101571198	OQNVHIFZVHJAFW-VRSPKCAYSA-N	555.329	1.836	0	40	KDAB	
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	252463749	YURJSTAIMNSZAE-NOXNZLNDSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1[C@H](O[C@@]2(O)[C@@H](O)[C@H](O[C@H]3C[C@H]4[C@]5(C)C[C@H](O)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@]5(C)CC[C@@]45C[C@@]54CCCC(C)(C)[C@H]34)O[C@H](CO)[C@H]2O)OC[C@@H](O)[C@@H]1O	256079925	LFJNPJBIDAQEHH-DWDLVNGGSA-N	827.018	1.644	0	40	KDAB	
C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704499	ONVMFILWYXCYDY-QGZVFWFLSA-N	503.577	1.685	0	40	KDAB	
O=S1(=O)CC[C@@H](N(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)C1	575426490	ULTXLJGMLQTVFA-FGZHOGPDSA-N	650.782	1.754	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1cccc(OC)c1OC)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6546830	SGVOWECLHIVNIQ-OAQYLSRUSA-N	555.613	1.904	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6904957	WTIOUEBDNOIXEW-LJQANCHMSA-N	515.523	1.843	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@H]2SC1	8715746	HNETYTVYQRECAI-SCLBCKFNSA-N	504.899	1.653	0	40	KDAB	
CCn1c(COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21	13128490	QHZQHQYCAGEPQB-AWEZNQCLSA-N	519.605	1.477	0	40	KDAB	
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1OC	17434280	YTTBYIGPMXFNNH-FQEVSTJZSA-N	538.601	1.225	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1OC	35807554	YWKGSECTELBOFJ-FKRWJQPVSA-N	526.977	1.586	0	40	KDAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4ccc(C(F)(F)F)n4)[C@H]3SC2)s1	98045682	HTPRWZYSQLXDQD-SMDDNHRTSA-N	520.540	1.593	0	40	KDAB	
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2CC(=O)OC	100876147	GPBGPUPNLASTBO-IZHYLOQSSA-N	547.611	1.815	0	40	KDAB	
CC(C)[C@@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879639	IRFPACVSXOEVDE-ACRUOGEOSA-N	533.025	1.878	0	40	KDAB	
C[C@@H](O)C(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	2060999789	LMJLJHLHNWDRFZ-MLUIRONXSA-N	505.046	1.094	0	40	KDAB	
CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@@]2(C)CC[C@H]2O[C@H](CNC(=O)c4cc(C)on4)OC[C@@]32C)C1	4236939	IZMNVZPSVBYSTO-OIVNEEICSA-N	546.665	1.775	0	40	KDAB	biogenic,in-vitro
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C	38152760	OVMSOCFBDVBLFW-QZDKRUOYSA-N	586.634	1.653	0	40	KDAB	biogenic,in-vitro
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br	38152771	PDLMTHTTWGXGGU-LLVKDONJSA-N	518.249	1.526	0	40	KDAB	
C[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O	67911590	ZSBANYQFXZZUDM-BEJYGLEISA-N	534.646	1.349	0	40	KDAB	biogenic,in-vitro
CC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585271600	AZMDOUINBYWCQE-MUUNZHRXSA-N	524.618	1.790	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643568781	FWNYXBSHUBKDSH-ZEQRLZLVSA-N	543.709	1.939	0	40	KDAB	
COc1ccc(-c2nc(SCC(=O)NCc3ccc4c(c3)OCO4)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	11758156	MVNFCXCTQSISJH-UHFFFAOYSA-N	521.555	1.840	0	40	KDAB	
COc1ccc2cnn(-c3nc4c(c(=O)n(C)c(=O)n4C)n3CCCc3ccccc3)c(=O)c2c1OC	12531198	CNFRIEVHYVSRTB-UHFFFAOYSA-N	502.531	1.783	0	40	KDAB	
Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337512	DHUGKIHWNUMOEZ-UHFFFAOYSA-N	510.016	1.564	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70681090	ZBYDOGVAOZEPSJ-HROMDODWSA-N	532.498	1.744	0	40	KDAB	biogenic
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(=O)[nH]c1=O	103024715	FJQYYRAGMAEREH-UHFFFAOYSA-N	537.639	1.008	0	40	KDAB	
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@H]1[C@H]2[C@H](OC(C)=O)C[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O	254414606	LWEDMLOAXCZSBB-AJTPIRKNSA-N	606.665	1.916	0	40	KDAB	
COc1ccc(OC)c(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409174476	ULRAGGAXDSEQKP-UHFFFAOYSA-N	521.592	1.640	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	4285421	IGFOITMJXBKXBP-BWOYXGKQSA-N	519.294	1.389	0	40	KDAB	
CCOc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)C2=O)cc1	23485919	BWTBLXGECPLKQN-FQEVSTJZSA-N	501.561	1.495	0	40	KDAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCCOCCOCC1	39988419	PSONIEVWAMXXKW-UPVQGACJSA-N	530.684	1.613	0	40	KDAB	
COc1ccccc1N(C[C@@H](O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)S(=O)(=O)c1ccccc1	71283672	IMZIMBDEFBHUCM-RTWAWAEBSA-N	523.677	1.056	0	40	KDAB	
CC(=O)OC[C@H](COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)OCn1cnc2c(=O)[nH]c(N)nc21	72130064	MPEPPXVLNHJWMG-MSOLQXFVSA-N	530.538	1.102	0	40	KDAB	in-vitro
COCCN(C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	102956661	YKIJVXKWDBRJSQ-FQEVSTJZSA-N	549.584	1.051	0	40	KDAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)ccc1C	575425715	HOQFUEGOUXARHE-QHCPKHFHSA-N	588.682	1.246	0	40	KDAB	
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643565366	DJMKECNXICJPDM-AVRDEDQJSA-N	526.590	1.125	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)cc4Br)[C@H]3SC2)s1	2735415	AHEMKARJZWJBKW-QMTHXVAHSA-N	531.439	1.487	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O	3303230	LQJJNBXTASFLTC-UHFFFAOYSA-N	551.375	1.269	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c(=O)n(C)c1=O	25355744	OTASXSLJUYDHEA-UHFFFAOYSA-N	513.554	1.812	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(Cl)cc2)cc1	100173118	YCFVQTFMTLJXGE-FQEVSTJZSA-N	557.894	1.826	0	40	KDAB	
CN(c1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O	224344749	IMIIINHGNWXADT-UHFFFAOYSA-N	511.622	1.441	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	224406460	CSGAYYDDAIXKIA-UHFFFAOYSA-N	551.687	1.832	0	40	KDAB	
O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	257285965	PJOPQGCEEQMOTN-BDYUSTAISA-N	528.675	1.747	0	40	KDAB	
C[C@H](O)[C@@H]1C[C@H]([C@](C)(O)[C@@H]2CC[C@]3(O)C4=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@@]23C)OC(=O)[C@@H]1C	257533926	RPCTUYZLPGGPJD-WXOOZNISSA-N	520.663	1.891	0	40	KDAB	biogenic
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565406	FUFASADESLSQAA-CUBQBAPOSA-N	577.682	1.606	0	40	KDAB	
C[C@H]1C(=O)NCCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N1C	643570251	UOXHATMMPLFLBP-OFVILXPXSA-N	565.671	1.069	0	40	KDAB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)cc3C2=O)cc1	3436169	MNTSOZKREFEBLQ-QGZVFWFLSA-N	500.529	1.688	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6546775	QGEWIVMMILVSOW-HXUWFJFHSA-N	527.559	1.606	0	40	KDAB	
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941053	RWHLXXZCTIYHIM-IBGZPJMESA-N	502.641	1.563	0	40	KDAB	
COc1ccccc1N1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NCCN2CCOCC2)CC1	20503882	AIEYXLPQXCFBTF-KMDXXIMOSA-N	516.756	1.324	0	40	KDAB	biogenic,in-vitro
COc1ccc(CCNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1OC	22386066	UNTRAICUCWYAFH-UHFFFAOYSA-N	505.593	1.301	0	40	KDAB	
CN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079712	BTZZUJAGFAXZHY-UHFFFAOYSA-N	501.337	1.678	0	40	KDAB	
Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O	101008169	LOLKVGXTQSDQJZ-UHFFFAOYSA-N	536.614	1.401	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)c(=O)n(C)c1=O	103102538	CYWZQBFHPFJLNG-PUAOIOHZSA-N	532.619	1.295	0	40	KDAB	
CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCCN1CCOCC1	13624275	VAUOABKPMJLDTJ-HXOBKFHXSA-N	500.596	1.733	0	40	KDAB	
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCC3(CC2)OCCO3)CC1	67337927	FUGHQRYJZHGWHN-UHFFFAOYSA-N	524.043	1.872	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl	224450046	DEVXZTFAVKUAKQ-UHFFFAOYSA-N	566.485	1.976	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	226056703	PXICDUPWXVYZTP-UHFFFAOYSA-N	525.649	1.468	0	40	KDAB	
CCN1C[C@@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]32)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC	249693072	NNDHDYDFEDRMGH-SGKZLPIESA-N	586.726	1.718	0	40	KDAB	biogenic,in-vitro
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	306122635	XCLJRCAJSCMIND-MIPVOGHNSA-N	734.969	1.544	0	40	KDAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585274735	YZUKHMUYJNCCPU-GDLZYMKVSA-N	554.644	1.416	0	40	KDAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643565804	OAKHREBCRYDXNB-LSYYVWMOSA-N	579.698	1.315	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc(C)cc2C)c(N)n(Cc2ccccc2)c1=O	13068589	AXBLNLOUEXMGTM-UHFFFAOYSA-N	525.583	1.949	0	40	KDAB	
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)O	13576583	ZLJVGMIKODMOQL-PMACEKPBSA-N	532.638	1.931	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)C(C)C)ccc12	15721237	IRQTXCWYXLITEA-DFFLPILJSA-N	516.551	1.055	0	40	KDAB	in-vitro
CCOC(=O)CSC(=S)NNc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1	100685228	LOLVJAWXNDFLBH-UHFFFAOYSA-N	520.018	1.842	0	40	KDAB	
CC(=O)N[C@H]1[C@@H](Sc2nnc(COc3ccc(Cl)cc3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101575217	ZUHNIJKKUNIBLE-UTCUMILBSA-N	585.035	1.796	0	40	KDAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4c[nH]cn4)C[C@H]3C(=O)NC[C@H]1O2	253396871	FCTNLVIBFKETRZ-FEVSWUGISA-N	553.664	1.259	0	40	KDAB	
CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3ccc(CNC(C)=O)cc3)cc2)cc1	575425158	YPEQZNNVYWQOPD-IZLXSDGUSA-N	664.784	1.113	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)C[C@H](c2ccc(F)cc2)NC(=O)[C@H](CO)NC1=O	643570012	XWTDPCIBFAYQJP-DEJVGURISA-N	671.742	1.273	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643574686	JYEGBIHFPPKLEK-VJBWXMMDSA-N	552.628	1.417	0	40	KDAB	
C[C@@H](C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)N1C(=O)c2ccccc2C1=O	2694925	VRZVQLODLINKBB-ZDUSSCGKSA-N	500.558	1.940	0	40	KDAB	
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(-n2cnnn2)cc1	3329844	NHDIXOKQVAYKLD-UHFFFAOYSA-N	506.544	1.505	0	40	KDAB	
CNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NCC(=O)NC	6002339	PZDXJGPVGQVPCU-PKTZIBPZSA-N	618.732	1.084	0	40	KDAB	
Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1	35973869	WYPXDFGMIHTJBN-MOHJPFBDSA-N	539.658	1.824	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)NCC(=O)O	42852614	VVDJIPURODAIDY-NVQXNPDNSA-N	570.668	1.843	0	40	KDAB	
CC(C)(C)OC(=O)CC[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O	70664664	XPPVPEBAMOGLNL-NJDAHSKKSA-N	636.699	1.455	0	40	KDAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	100185111	RGAWAAOOJBIBGY-SIUQCBEUSA-N	508.962	1.538	0	40	KDAB	
CCN1C[C@@]2(COC)CC[C@@H](OC)[C@]34[C@H]2[C@H](OC)[C@H]([C@@H]13)[C@]1(OC(C)=O)[C@H](O)[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1	2060993617	PHASMOUKYDUAOZ-YCZGODJLSA-N	629.747	1.677	0	40	KDAB	
CC(C)=CC(=O)NCCC[C@H](NC(=O)[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2F)CCN1C(=O)C=C(C)C)C(N)=O	4201006	CHSCOUOEIZNWHK-HFMPRLQTSA-N	562.618	1.855	0	40	KDAB	biogenic,in-vitro
CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCCN1CCOCC1	6193395	SHBJQNDDDGUWTJ-UHFFFAOYSA-N	503.669	1.997	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6546835	IHWHEIPMOOXXJE-OAQYLSRUSA-N	571.612	1.917	0	40	KDAB	
COc1cc(C(=O)NCCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc(OC)c1OC	12570057	ZEXUUQZSSBBBRU-UHFFFAOYSA-N	522.576	1.629	0	40	KDAB	
CCN(C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	22920396	KSJCPBPEBDBQEX-UHFFFAOYSA-N	520.590	1.067	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(=O)[nH]c1=O	23078098	IQAIGBRLJNEWFZ-UHFFFAOYSA-N	535.667	1.616	0	40	KDAB	
COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	38143539	FYWCDZKQBWSMDD-HHLYSPQOSA-N	506.548	1.045	0	40	KDAB	biogenic,in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@]3(C)CC4)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389415	KEBWMOINOKSPFY-XUWFRHQASA-N	941.118	1.260	0	40	KDAB	biogenic,in-vitro
CC1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253403405	PUDLQEUXGQWKCU-URCIGJTKSA-N	562.733	1.756	0	40	KDAB	
NN1C=NN2C(SCC(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)s3)=NN[C@@H]12	2186351	MOJOKKYDZNRRHH-ZDUSSCGKSA-N	533.452	1.840	0	40	KDAB	
COc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N(C(=O)c3cccn3C)C2)c1	4200900	SJOZCNQMAMHQTC-FJIJXJHWSA-N	532.601	1.651	0	40	KDAB	biogenic,in-vitro
CCOC(=O)C1=C(N)C(C(=O)OCC)=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccccc1OC	101671053	ROMGKUBPQFBHOA-ATOQVSERSA-N	536.606	1.849	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O	245204826	HRKNNHYKWGYTEN-ILAOOMKDSA-N	734.969	1.559	0	40	KDAB	
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(OC)cc2)CC1=O	643574838	ULQWFRXHHKRPLZ-OFSOJUDTSA-N	657.768	1.969	0	40	KDAB	
CC(=O)O[C@@H]1[C@@H](O[C@@]2(O)[C@@H](O)[C@H](CO)O[C@H](O[C@@H]3C[C@H]4[C@@]5(C)C[C@@H](O)[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@]5(C)CC[C@@]45C[C@]54CCCC(C)(C)[C@@H]34)[C@H]2O)OC[C@H](O)[C@H]1O	1529054595	LFJNPJBIDAQEHH-OQYQNCHRSA-N	827.018	1.644	0	40	KDAB	
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1	4577550	AMVPQXWWHXMIJM-QWZKXEKUSA-N	659.784	1.885	0	40	KDAB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@H](CC(N)=O)C(=O)O)(c2ccccc2)CC1	8791607	SPBXPULOXXTYEM-MOPGFXCFSA-N	516.595	1.391	0	40	KDAB	biogenic
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1	22609729	RNJFGHRTIJPHLY-JOCHJYFZSA-N	513.570	1.321	0	40	KDAB	
Cc1cccc(OC[C@H](O)Cn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1	56978338	XFHMXTMLROPIAA-JOCHJYFZSA-N	518.618	1.504	0	40	KDAB	
COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224442745	GZKSHTVGCQKLFC-UHFFFAOYSA-N	562.066	1.331	0	40	KDAB	
CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	224456020	LAVQHMYVPYVNIP-UHFFFAOYSA-N	511.622	1.302	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3C[C@]4(C)[C@@H](C[C@@H](O)[C@@H]5[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)CC[C@@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]34)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	257451613	JBGYSAVRIDZNKA-LZTRNTINSA-N	801.024	1.359	0	40	KDAB	endogenous,in-man
COC(=O)[C@]1(Sc2ccccc2)C[C@@H]2OC(=O)N(C(C)=O)[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1	504535963	CVMYPHWPKCZUMN-USQWPPLZSA-N	567.569	1.599	0	40	KDAB	
Cc1cc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)nn1C	643578429	WJINMVXUKJIYJF-BJKOFHAPSA-N	513.639	1.687	0	40	KDAB	
Cc1cc(C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)C[C@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)n(C)n1	4221667	PBTGVMFUTYDPTL-SZMVWBNQSA-N	564.715	1.016	0	40	KDAB	biogenic,in-vitro
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C	5273600	FAXGPCHRFPCXOO-OBERRRDLSA-N	685.904	1.467	0	40	KDAB	in-vitro
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)O)(c2ccccc2)CC1	9129324	HAKFHVIRCMDPJP-MOPGFXCFSA-N	516.595	1.391	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	12884087	UKGGRHCSQHWUHP-FKBYEOEOSA-N	506.559	1.690	0	40	KDAB	biogenic
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1	13138529	MYEUFWONRIYTER-AWEZNQCLSA-N	500.982	1.625	0	40	KDAB	
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O	14109480	OUTILJWVZZHSNI-DEOSSOPVSA-N	518.567	1.525	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	20547521	SFGCKIGLDNDZLI-WUABMQKPSA-N	510.522	1.072	0	40	KDAB	
COc1ccc(C(c2c(O)[nH]c(=S)n(C)c2=O)c2c(O)[nH]c(=S)n(C)c2=O)cc1CN1CCOCC1	97950414	OVIYDIBZBHYUOK-UHFFFAOYSA-N	533.632	1.631	0	40	KDAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc(C(=O)N(C)C)c1CN1CCOCC1	97982675	GPICVCLOEPYZEF-UHFFFAOYSA-N	552.675	1.961	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	101571185	OQNVHIFZVHJAFW-RBNDEXQUSA-N	555.329	1.836	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O	252394536	POXCHDLYCJFKBU-CSLRNZCASA-N	577.679	1.039	0	40	KDAB	
COCCNC(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)c2cc(Br)ccc21	409132133	OWVLWBZCRRXPDA-IUXPMGMMSA-N	523.409	1.739	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565236	DXZPONZSZNGEBA-IZZNHLLZSA-N	591.709	1.996	0	40	KDAB	
C[C@@H](N)COc1cc(Cl)ccc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879922	XOLDDCMBKFCWDG-CCKFTAQKSA-N	504.971	1.242	0	40	KDAB	
Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12	8684080	DZFQIBMUGDOKAJ-QFIPXVFZSA-N	502.568	1.828	0	40	KDAB	aggregator
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1	100277753	MKEHXQYQEVGDNN-AUSIDOKSSA-N	543.650	1.500	0	40	KDAB	
CCCn1c(N2CCN(CC(=O)Nc3c(C(=O)OCC)[nH]c4ccc(F)cc34)CC2)nc2c1c(=O)[nH]c(=O)n2C	102188156	TTXCUYONDHUZPN-UHFFFAOYSA-N	554.583	1.391	0	40	KDAB	
COc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(OC)cc1Cl	224483257	KMBQCTZVECEVNR-UHFFFAOYSA-N	592.092	1.339	0	40	KDAB	
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	253388481	ZTLZGWDERZVHNS-VWGLOSFCSA-N	658.565	1.046	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	408702615	MUXQJBPWHLSKST-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	605858086	KXHCYYSIAXMSPA-AGAJVGBKSA-N	869.055	1.866	0	40	KDAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cc1	643564138	NWEWCBYMAUDDNJ-PMACEKPBSA-N	536.695	1.346	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)/C=C/CN2CCOCC2)CCCCOC[C@@H](O)[C@H]1O	643586557	PYBZWMPIRLCFLR-BQYQEKQPSA-N	593.737	1.948	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(=O)[nH]c1=O	103024698	DWCYDFGGPJIYFH-IAGOWNOFSA-N	537.639	1.010	0	40	KDAB	
Cc1cc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c(C)c1	224470704	AIKUUZQSVIMPFJ-UHFFFAOYSA-N	539.676	1.594	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N2CCC[C@H]2C1=O	643569190	MHOPGRCRPHEZIV-VXKWHMMOSA-N	507.591	1.161	0	40	KDAB	
COc1cccc(NC(=O)N2CCC3(CCOc4ccccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)c1	1548889902	LSAUIBLKABVEOI-CTNGQTDRSA-N	544.630	1.785	0	40	KDAB	
Cc1cc(OC[C@H](N)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)O)cc1Cl	2037879519	BCSQNYFOSBWHKC-ACRUOGEOSA-N	505.999	1.913	0	40	KDAB	
CS[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(=S)[nH]cnc21	5665525	JELXXCPBJSOBIB-BUOYGBHESA-N	572.618	1.640	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1OC	20611202	DXZWQYDLHZJHCH-DVVWYOFYSA-N	506.559	1.159	0	40	KDAB	biogenic
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34651283	JAFHRXBUMPKHBC-WVXKDWSHSA-N	520.318	1.806	0	40	KDAB	
C[C@@H]1C(=O)O[C@H](C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C	38143776	NEFYSBQJYCICOG-BADPDMHFSA-N	520.663	1.891	0	40	KDAB	biogenic,in-vitro
Cc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1C	38152365	IZNMCXWMQIREJC-UHFFFAOYSA-N	535.601	1.746	0	40	KDAB	
Cc1ccc(S(=O)(=O)NC2(C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCCCC2)cc1	70670039	IRISLIVIXHVISZ-FCHUYYIVSA-N	563.721	1.100	0	40	KDAB	biogenic
CCOC(=O)c1c(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)sc2c1CCC2	101170417	XUTMLUPUYFFEIL-VDGAXYAQSA-N	527.548	1.710	0	40	KDAB	
COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](COC(C)=O)OC(C)=O)c(I)c(C(=O)N(C)C[C@H](COC(C)=O)OC(C)=O)c1I	150351042	VJZHCBDXXCGMJR-DLBZAZTESA-N	959.263	1.877	0	40	KDAB	in-vitro
CC(=O)N[C@H]1[C@H](Oc2cc3sc(=O)oc3c(C)c2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	216305394	AEDVJDMITHPZNB-QXPVWKFPSA-N	525.532	1.506	0	40	KDAB	
CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2	253403805	QLAPXKCPNORAKX-AYEXWZOKSA-N	584.686	1.755	0	40	KDAB	
COCCCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1	643564846	JEXHSHADJUISHC-FKBYEOEOSA-N	518.655	1.782	0	40	KDAB	
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]([C@@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1	1857787593	FIDOCHXHMJHKRW-DPJOZUQNSA-N	615.720	1.287	0	40	KDAB	
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	6141972	RSSSQWWAKCZRDG-GFCCVEGCSA-N	565.402	1.658	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1cc(Cl)cc(Cl)c1	19961951	HFSPXRIAIYIGDS-LJQANCHMSA-N	505.406	1.866	0	40	KDAB	
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N2C)N(C)C3=O)cc1	95547987	VXVGFMUNENQGFW-NIXSBGKRSA-N	756.857	1.543	0	40	KDAB	in-vitro
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)CC2)cc1OC	96019625	VULIDQPDEMKZEL-MHZLTWQESA-N	588.639	1.165	0	40	KDAB	
CC(C)(C)OC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)OCCS(C)(=O)=O	98045066	KWWBDQJVWHHYRX-NHCUHLMSSA-N	614.718	1.315	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	103553205	VJJPUSNTGOMMGY-IVKXAXTBSA-N	588.562	1.339	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)CC2)cc1	113633193	QRBZAUOGXFSPMA-UHFFFAOYSA-N	577.466	1.899	0	40	KDAB	
CN(c1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O	224420847	HQFDIFIGEMJOJD-UHFFFAOYSA-N	525.649	1.831	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(Cl)c1	408636382	PGSJMPWFKHYHAM-UHFFFAOYSA-N	514.940	1.855	0	40	KDAB	
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCNC1=O	643568060	HREDUNOBCJNDAT-JYFHCDHNSA-N	579.698	1.468	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccnc2)CCC(=O)N2CCC[C@H]2C(=O)N1	643571440	AFKSSEVQNVZJLQ-VABKMULXSA-N	538.649	1.492	0	40	KDAB	
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	85893669	BUEGNIXTBWAGCM-DTGGKOQTSA-N	778.905	1.421	0	40	KDAB	biogenic
CC1(C)S[C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@@H]1NC(=O)N[C@H]1N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2SC1(C)C	150379383	QOHBYLZHUZCIDD-RSKUFUAFSA-N	660.734	1.655	0	40	KDAB	
O=C(/C=C/c1cccc(F)c1)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643586433	AWDKRJFWDQMJQF-DUTKVHNRSA-N	518.557	1.842	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN[C@H](C)c2cc(O)n3nc(C)cc3n2)CCCCOC[C@@H](O)[C@H]1O	643586623	AXQVNLPFWYCXQO-STJAVVEHSA-N	592.738	1.033	0	40	KDAB	
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1	2060990630	LBPZKMZBSNQRII-VBBTXCNISA-N	578.699	1.998	0	40	KDAB	
COc1ccc(C[C@@H](NC(=O)NSc2ccccc2)C(=O)N[C@@H]2[C@H](CO)O[C@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1	4803627	CKCKOHXJUYIKSC-JEFQBQGYSA-N	622.708	1.254	0	40	KDAB	
CCc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21	15968058	IPOBZGPDCBNMIG-RLLIMONSSA-N	506.559	1.105	0	40	KDAB	biogenic
COc1ccccc1CCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Br)cc1	17376886	YFOKZIALXYIBGU-LJQANCHMSA-N	526.409	1.280	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1	35678172	IUTVAJOSFKUTOP-SUGDGZHXSA-N	515.386	1.200	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(=O)c(-c4ccc5c(c4)OCCO5)n[nH]3)CC2)cc1	102864290	WOTPRKWFDYOJMG-UHFFFAOYSA-N	543.627	1.537	0	40	KDAB	
Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C	224451103	DAZZFKYRRTVFFM-FQEVSTJZSA-N	539.676	1.674	0	40	KDAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253401802	NNDVNZCMDHMQAM-DXLYGPJMSA-N	593.729	1.334	0	40	KDAB	
COCC(=O)N1CCCN(C)CCN(C(=O)CCN2CCN(c3ccccn3)CC2)Cc2ccccc21	643555249	WZTNGEIAQVNURX-UHFFFAOYSA-N	508.667	1.937	0	40	KDAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCNCC1	4277795	HMGZQKRTMAABPP-DQEYMECFSA-N	554.619	1.387	0	40	KDAB	biogenic,in-vitro
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6905116	VPCWGBUUPGOFKA-FQEVSTJZSA-N	513.576	1.992	0	40	KDAB	
O=C(NCc1ccncc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	8863721	JUTCZKSZFPXYCJ-QFIPXVFZSA-N	500.602	1.462	0	40	KDAB	
O=S(=O)(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	13831716	ZALNKAJIGHPOIP-UHFFFAOYSA-N	503.396	1.916	0	40	KDAB	
CC(=O)N1C(=O)/C(=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)c2ccccc21	97968920	GPQLSSDHTQCEQY-PFWOMTEYSA-N	564.627	1.882	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CC(=O)N2CCC[C@@H]2C(=O)N1	643565052	RNWMZGGGSFTYMY-ACIOBRDBSA-N	529.682	1.547	0	40	KDAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)CC1	14086232	RHWMECQVFSUSQJ-RUZDIDTESA-N	525.587	1.745	0	40	KDAB	
CC[C@H]1OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H]1C	52429265	WWWXDCNRNMZGEN-BKASZLNYSA-N	546.698	1.566	0	40	KDAB	
CC(=O)N[C@@H]1[C@H](OC(=O)COc2ccc(Cl)cc2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	59603627	RWHQILFVSQZCFE-LCNLMQJVSA-N	529.926	1.227	0	40	KDAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59852070	KAKYXWWQROENRI-UHFFFAOYSA-N	537.660	1.496	0	40	KDAB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	97980427	CKCQQWNPYCQKFT-FPYGCLRLSA-N	606.723	1.217	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	97986551	AQKPXOWLUQPPRH-FHXHSYFWSA-N	531.514	1.661	0	40	KDAB	
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1	224472181	NIWABYPORBKLIB-UHFFFAOYSA-N	565.714	1.753	0	40	KDAB	
CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@H](O)C[C@@H](n2cnc3c2c(=O)n(C)c(=O)n3C)[C@](C)(O)C1	257207995	BKFFZOWCHIDLKK-PNLFWNEXSA-N	551.648	1.273	0	40	KDAB	
CC(=O)N1CCN(Cc2ccc(OCCN3CCNC3=O)cc2)C[C@](O)(COc2ccc(F)cc2)C1	585274185	TYBICGINYJEHJA-AREMUKBSSA-N	500.571	1.704	0	40	KDAB	
CC(C)NC(=O)N1CCC2(CCOc3cc(-c4cnn(C)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890523	RPBISTXZUIBYGK-RTWAWAEBSA-N	560.677	1.062	0	40	KDAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)cc2)C[C@H](C)O1	3166612	NUODVIXVCLSMSJ-STQMWFEESA-N	510.619	1.994	0	40	KDAB	
CNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NCC(=O)NC	6002345	PZDXJGPVGQVPCU-XZOQPEGZSA-N	618.732	1.084	0	40	KDAB	
O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NC(=O)[C@@H]1COc2ccccc2O1	13129830	GHKWBKHSSNCDDA-APWZRJJASA-N	508.936	1.519	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	15449129	VJJPUSNTGOMMGY-RUQINQQPSA-N	588.562	1.339	0	40	KDAB	biogenic
COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)c(OC)c1	20456264	IGUNKDWQEKPIPQ-UHFFFAOYSA-N	515.610	1.804	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)[nH]c1=O	23078989	PKHKZPHXCUGLEI-UHFFFAOYSA-N	525.603	1.138	0	40	KDAB	
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70700497	NESDWFNGGHRDCW-RXYZOABWSA-N	519.558	1.685	0	40	KDAB	biogenic
O=C1NC[C@]2(CCCN(CC(=O)N3CCC[C@]4(CNC(=O)c5ccccc5O4)C3)C2)Oc2ccccc21	72341231	DKANJWMSQZTVQP-NSOVKSMOSA-N	504.587	1.827	0	40	KDAB	
CCOC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](OC(C)=O)C[C@@H](O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@]12C	118935265	TVKZNMSOZWTGQU-IAPGOGRJSA-N	554.633	1.426	0	40	KDAB	
Cc1cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc2oc(=O)ccc12	218134657	RBKHOTLLIQRMRT-GVAUOCQISA-N	665.748	1.191	0	40	KDAB	
CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21	224501256	SWXTXDRNPNJKFC-UHFFFAOYSA-N	527.646	1.461	0	40	KDAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	225188034	COFZTHUAMKWLQE-AWEZNQCLSA-N	503.549	1.779	0	40	KDAB	
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	14138962	CLCSKJBZLAKPNR-UHFFFAOYSA-N	503.524	1.791	0	40	KDAB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O	15721450	RSIYRONDCOJJQA-VJANTYMQSA-N	506.600	1.444	0	40	KDAB	
CCOC(=O)c1ccc(NC(=S)N[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	34633326	ARPVHNFYZHWCNQ-AHJNKEMKSA-N	554.574	1.233	0	40	KDAB	biogenic,in-vitro
CC(=O)Nc1ccc(NC(=O)Cn2c3c(c(=O)n(Cc4ccccc4)c2=O)CC[C@H]3N2CCOCC2)cc1	41105031	HMVUADKKDPFPCX-XMMPIXPASA-N	517.586	1.975	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277444	DURWVYJGVQVMMN-WZOHSFFVSA-N	554.604	1.994	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	224482249	PIOTXLGVVCGTCP-UHFFFAOYSA-N	551.687	1.832	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	253389084	IAGSHEHQJJTLLR-FPDVRJDASA-N	883.082	1.984	0	40	KDAB	biogenic,in-vitro
C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(C(=O)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)C[C@@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C	253529664	LDPUCURQYIRVQU-GGHSOCHGSA-N	670.881	1.875	0	40	KDAB	biogenic,in-vitro
CN(C)CCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643569195	MLLQURRDDPKOIQ-ZEQRLZLVSA-N	537.661	1.211	0	40	KDAB	
CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)CC1	643571953	UDSXLWIQWRGPEX-JCUKEYOKSA-N	614.788	1.250	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C)c(Cl)c4C)[C@H]3SC2)s1	2730769	UYNAOHKTVNWMQR-CZUORRHYSA-N	515.042	1.844	0	40	KDAB	
COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)N(C(=O)C3CC3)C2)cc1	4200876	DTQMHLQOYKISMM-IEXUWNMDSA-N	532.601	1.890	0	40	KDAB	biogenic,in-vitro
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1	12520866	UERNIIUTVIWLJJ-UHFFFAOYSA-N	515.573	1.277	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)n2)c(-n2cnnn2)c1	12712084	FECBWDQZYLKFIN-UHFFFAOYSA-N	522.595	1.874	0	40	KDAB	
CCOC(=O)N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	19961940	BYZGLPFGBUVXNM-QGZVFWFLSA-N	500.383	1.423	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](C)n4cc(Br)cn4)[C@@H]3SC2)s1	97947895	KFVBXQPEIFIBTM-TXTNSRCWSA-N	545.466	1.897	0	40	KDAB	
Cc1ccc(N2C(=O)C[C@H](C(=O)O[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)[C@@H]2c2cccs2)cc1	108843311	LJYLXPQLTRSJMR-PTSWNOGYSA-N	510.572	1.945	0	40	KDAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)S(C)(=O)=O	223402930	WMXPOKQJJUTKKM-XMMPIXPASA-N	537.082	1.750	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)c1	260749364	UZZAOOGKZGMNSW-SFHVURJKSA-N	525.649	1.508	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)NCCN([C@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2cc(OC)ccc2OC)c1	575420539	CMZWOPVLDSOQDS-HSZRJFAPSA-N	592.714	1.267	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4cc(Cl)c(C)n4)[C@H]3SC2)s1	2809229	ULUSWTFNYOCDPK-XJKSGUPXSA-N	515.042	1.926	0	40	KDAB	
C[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	4018353	LKZCUOVBNNSUSB-ZEQRLZLVSA-N	664.712	1.093	0	40	KDAB	
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@](=O)C3)cc1	6208150	XPBVFQIMCOMOEH-UUWRZZSWSA-N	516.601	1.916	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1	38784369	NBYHKFCZRZVJDX-QHCPKHFHSA-N	510.570	1.262	0	40	KDAB	
CCN(C(=O)COC(=O)CSc1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982461	CVLZEEFHTUHZDD-UHFFFAOYSA-N	526.571	1.627	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1	102100800	BTNQFFCHMJCSHG-OAQYLSRUSA-N	572.460	1.651	0	40	KDAB	
CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccncc5)ccc4C(=O)N3)CC[C@@H]2O)CC1	514287640	SGCJSYUARNYPOC-IKJZKLLOSA-N	591.709	1.739	0	40	KDAB	
O=S1(=O)CC[C@H](N(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)C1	575426492	ULTXLJGMLQTVFA-VXKWHMMOSA-N	650.782	1.754	0	40	KDAB	
CC(=O)N[C@H](CSC[C@@]12OC(=O)[C@@]34C(=O)[C@@]5(C)[C@H](C=C[C@H]6C[C@@H](C)CC[C@H]65)[C@@](C)(O[C@@]13O)[C@@]4(O)C[C@H]2C)C(=O)O	1772591792	PGDVYHDYILYGOA-PBSKLQJPSA-N	577.696	1.667	0	40	KDAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1	13108878	HZEQBXJJZTVMBY-UHFFFAOYSA-N	503.533	1.365	0	40	KDAB	
COc1cc(OC)c(S(=O)(=O)n2nnc3ccccc32)cc1S(=O)(=O)n1nnc2ccccc21	36636325	JXHUASSHUWBYKK-UHFFFAOYSA-N	500.518	1.667	0	40	KDAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)ccc12	71788383	PDUGCIODBWSTTA-NVQXNPDNSA-N	591.669	1.359	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cccc(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101459118	SSPAAUHWLHOCSS-SWBPCFCJSA-N	561.407	1.819	0	40	KDAB	
COc1ccc(CCc2nnc(S[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3NC(C)=O)n2C)cc1OC	103504995	XYKXKKAJJSYDFW-OCJQLBAASA-N	608.670	1.366	0	40	KDAB	
CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	253505569	KXHCYYSIAXMSPA-UDCWQQAXSA-N	869.055	1.866	0	40	KDAB	
C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C	256119753	VNONINPVFQTJOC-FSQOMZFJSA-N	869.055	1.242	0	40	KDAB	
CC(=O)N1CCCN(C)CCN(C(=O)c2cnn([C@@H]3CCN(S(C)(=O)=O)C3)c2)Cc2ccccc21	643554178	MPFXVBGNARGIFZ-JOCHJYFZSA-N	502.641	1.420	0	40	KDAB	
CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1	1534613067	PCFQDJGXUYNYAB-RELGLDOUSA-N	560.692	1.768	0	40	KDAB	
O=C1N[C@@H]2CCN(C(=O)CCn3nc(O)ccc3=O)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1	2037879884	VRDWGENAOGBXHW-GVAUOCQISA-N	577.682	1.547	0	40	KDAB	
O=C(O)CCCC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1	4545874	SCRMMJVITKQLCL-HSZRJFAPSA-N	518.570	1.993	0	40	KDAB	
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1	67890429	UCGMBFMFBDVFQT-CLAROIROSA-N	533.544	1.434	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	70664795	WAEKSZJQJUDRCQ-GIDFYXQGSA-N	565.553	1.736	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	102642649	LNEUAIUQRAFMSN-NYVOZVTQSA-N	549.671	1.786	0	40	KDAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253400038	KKOPHUNDFOLSQQ-CFJXPYFLSA-N	554.688	1.581	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)CO	299851154	ABPYUKBBMCBILQ-YKJJAACJSA-N	737.939	1.538	0	40	KDAB	in-vitro
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CN3CCN(C(C)C)CC3)CCO2)ccc1Cl	585287612	ZOCPDHVINDZGBW-NDEPHWFRSA-N	550.144	1.815	0	40	KDAB	
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F	1859537	ZOWHADDFZZEYNJ-SFHVURJKSA-N	500.842	1.867	0	40	KDAB	
CCOC(=O)c1nnn(Cc2ccccc2Cn2nnc(C(=O)OCC)c2C(=O)OCC)c1C(=O)OCC	8387098	YTXBREZCNXEJKE-UHFFFAOYSA-N	528.522	1.673	0	40	KDAB	
O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	12565742	SIUGFKHNYHTVGI-IBGZPJMESA-N	506.968	1.463	0	40	KDAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1	22535233	ISKWYKUKYHPJJI-UHFFFAOYSA-N	508.557	1.668	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@H](C(=O)O)[C@H](C)O)CC2)cc1	38144953	YXRGVCNUKFIEBH-TZYHBYERSA-N	531.631	1.073	0	40	KDAB	biogenic
CCOC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccnc1	103634471	MZGIALHUGWOBJV-JCZXDDDQSA-N	546.630	1.599	0	40	KDAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1	224252389	XNKYHUTWQRORAN-UHFFFAOYSA-N	523.555	1.917	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Br	1643916	RVHHUTDEYCUBRL-LBPRGKRZSA-N	533.343	1.031	0	40	KDAB	
COCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1	6904794	OWVAPOIZUKZMHE-LJQANCHMSA-N	535.623	1.739	0	40	KDAB	
O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	20109135	AJWGLVMILSDGAW-UHFFFAOYSA-N	509.625	1.901	0	40	KDAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59838189	SOSJVYQSJDJRRI-HNNXBMFYSA-N	532.040	1.353	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc2oc(=O)sc2c1C	62725292	WSIIBQIRXPPYHU-UNJWAJPSSA-N	511.505	1.198	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Br)cn4)[C@H]3SC2)s1	97947896	KFVBXQPEIFIBTM-QRPAFPMESA-N	545.466	1.897	0	40	KDAB	
Cn1c(=O)c2c(nc(Br)n2C[C@@H](O)COc2ccc(I)cc2)n(C)c1=O	97949548	GTLCCWBSIAFNSL-SNVBAGLBSA-N	535.136	1.241	0	40	KDAB	
CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	150340647	XKIGABBVUWYUSS-QORCZRPOSA-N	852.798	1.468	0	40	KDAB	
CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC	224389619	PZTICONNCWAQFM-UHFFFAOYSA-N	525.649	1.977	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567767	VMVDGCQDOWVDMF-UIOOFZCWSA-N	579.698	1.451	0	40	KDAB	
CC(=O)O[C@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1OC(C)=O	22066507	SXOZSDJHGMAEGZ-MHSGSNGISA-N	516.455	1.925	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	22525712	FPAIXGHTJOAMHL-UHFFFAOYSA-N	523.633	1.894	0	40	KDAB	
CC(=O)N[C@@H](CSCCN(CCSC[C@H](NC(C)=O)C(=O)O)c1ccc2c(c1)nc(CCCC(=O)O)n2C)C(=O)O	72130254	YSTNDPUOARKGRL-SFTDATJTSA-N	611.743	1.432	0	40	KDAB	in-vitro
COC(=O)COC(=O)COc1ccc(-c2coc3cc(OCC(=O)OCC(=O)OC)ccc3c2=O)cc1	141453621	LGFJLUQTLPIZTM-UHFFFAOYSA-N	514.439	1.650	0	40	KDAB	
C[C@H](N)C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc2ccccc2c1	150342225	VJBAWMTTYDQWBO-YRHPEDAXSA-N	817.992	1.754	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccncc5)CCN4C3=O)O2)cn1	253406170	UHONXJSCMSSWBD-QMMWJRKVSA-N	560.655	1.616	0	40	KDAB	
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C	253501973	SKHJNNFXCKTDBG-CAOXEYDKSA-N	708.886	2.000	0	40	KDAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)c3ccc(OCCNC(=O)OC(C)(C)C)cc3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257258208	KSUUHAPMKSRJLK-UAFMIMERSA-N	518.567	1.016	0	40	KDAB	
COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(N)=O)c3=O)cc2)cc1OC	9617208	KVHLSDMOHPLWJL-UHFFFAOYSA-N	516.554	1.687	0	40	KDAB	biogenic
COc1cc(C(=O)NCCN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	12951351	TVOKDLRZTFPKRJ-UHFFFAOYSA-N	517.579	1.926	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	44699741	GBHHLVBZMNCURY-PFKOEMKTSA-N	506.460	1.563	0	40	KDAB	biogenic,in-vitro
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	103101098	UYZSTZFLSGTTAH-UHFFFAOYSA-N	537.660	1.715	0	40	KDAB	
CC(=O)Oc1ccccc1C(=O)OCC(=O)OCCOC(=O)COC(=O)c1ccccc1OC(C)=O	140947564	FSJRHMJKMCUROI-UHFFFAOYSA-N	502.428	1.637	0	40	KDAB	
C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222702379	ONCIEWQTOLDEKN-URXFXBBRSA-N	545.658	1.799	0	40	KDAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccccc32)cc1	224477762	LHCQOLRGNWPXGT-MHZLTWQESA-N	617.702	1.868	0	40	KDAB	
CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)ccc21	225695599	RZOGJCISLXBRJS-UHFFFAOYSA-N	513.619	1.913	0	40	KDAB	
CCCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2	257279358	OGGBJSRZDNMTIX-LYZGTLIUSA-N	563.659	1.510	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCN(C)C1=O	643569117	LZYRVKDVUWGAIF-KQZHTCIUSA-N	502.612	1.193	0	40	KDAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@H](NC(C)=O)CC2	1075950134	IGDRBOZJSYPRRZ-FQELHTAISA-N	573.668	1.967	0	40	KDAB	biogenic
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(OC)ccc21	100876980	YIYUSNQSYFUCHQ-FCQUAONHSA-N	505.574	1.646	0	40	KDAB	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1	150601506	TVBJKPLTBPGHDJ-JTDIBOQZSA-N	660.669	1.447	0	40	KDAB	biogenic
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222786042	OYQHBIAHILMJMO-OAQYLSRUSA-N	551.109	1.967	0	40	KDAB	
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	224472257	GTNGFXOPKUSDAV-UHFFFAOYSA-N	565.714	1.753	0	40	KDAB	
CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccc(Cl)cc21	260892298	XLKGZNMVWRFULM-OAQYLSRUSA-N	560.050	1.083	0	40	KDAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)[C@H]2CCCN2)CCCCOC[C@@H](O)[C@H]1O	643551528	OWWOODOQJBYHBB-VEYUFSJPSA-N	537.673	1.812	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	15449127	VJJPUSNTGOMMGY-SMIRERDMSA-N	588.562	1.339	0	40	KDAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1OC	15956988	BWOSPXZFPDQYRC-CPVJYWEUSA-N	526.977	1.504	0	40	KDAB	biogenic
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1	72101857	SWPVUDKRCAUOMY-FQEVSTJZSA-N	533.585	1.679	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3C[C@@H](O)CC4=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]5[C@]43C)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253498643	GHUUTEXYFBCKSM-IVTAUIHBSA-N	738.912	1.361	0	40	KDAB	biogenic
C[C@@H](C(=O)N1CCOCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	4018345	TZYATJMWCMLGDI-PMACEKPBSA-N	576.606	1.060	0	40	KDAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H]1O[C@@H](OC2CCCCC2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5339416	IMCJHVQTBGINBO-DTILQVPTSA-N	502.513	1.351	0	40	KDAB	
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	12555625	NSSIZOLEZQMZND-UHFFFAOYSA-N	506.528	1.298	0	40	KDAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3cccc(C)c3)NC(C)=O)CC2)cc1	13565564	NCBKAAFCGFWIER-XMMPIXPASA-N	500.621	1.970	0	40	KDAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1	20032797	FAFRANZBKGVHFM-UHFFFAOYSA-N	525.649	1.399	0	40	KDAB	
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	67902732	YXSQSVWHKZZWDD-NVAPSSGUSA-N	680.832	1.498	0	40	KDAB	biogenic,in-vitro
Cc1c(CCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc(O)ccc12	70699920	JDNWYTILYCPBSU-HXUWFJFHSA-N	543.960	1.438	0	40	KDAB	biogenic
Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc21	101363444	QRJQNNVSPHQUOP-HAWMADMCSA-N	575.611	1.117	0	40	KDAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1O	214278852	ZTTGVWRQQWBTRN-MDWZMJQESA-N	504.302	1.901	0	40	KDAB	
COc1cc(CNC[C@]2(O)CCCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCOCC1	585274430	WLLUTLSWARNSSA-AREMUKBSSA-N	500.644	1.383	0	40	KDAB	
CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N1	643564672	ZPEXAKNLVUMIKS-GREBRCKQSA-N	503.644	1.061	0	40	KDAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCN(CC)CC)NC(=O)c2ccccc2OCCN(C)C1=O	643565357	DDZXGRZQFDMMCP-LEDOBFOHSA-N	503.644	1.015	0	40	KDAB	
CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1cccnc1	2037973539	ZGUXJKTXTDIXIO-XVOBZGQLSA-N	636.816	1.718	0	40	KDAB	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)CSC)CCN1S(=O)(=O)c1ccc(OC)cc1)C(C)C	4151712	OUCRTECVIORCHH-ZAAXVRCTSA-N	515.654	1.010	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccco1	6546334	ZNVQQSLWBBWNDZ-WMZHIEFXSA-N	526.550	1.370	0	40	KDAB	
COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)C1	12543317	PCZAWMAQXPUDCI-INIZCTEOSA-N	509.606	1.714	0	40	KDAB	
CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1C	15107512	SNCKPKINIHDDJM-SFHVURJKSA-N	509.567	1.469	0	40	KDAB	
COc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)c1	62728243	FUZQTYKEYRVZNN-UHFFFAOYSA-N	509.475	1.482	0	40	KDAB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	66166810	FQZKFNBACZEKGN-QHCPKHFHSA-N	547.033	1.945	0	40	KDAB	
CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[C@@H](n2cnc3c(=O)n(C)c(=O)n(C)c32)[C@@H]1O	257333681	YCPNHNMKJKPTSV-JBYIUTFZSA-N	528.013	1.520	0	40	KDAB	
CCn1c(SCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)COC)C[C@@H]2CC(C)C)nnc1-c1ccncc1	643913441	XSILJHMDSHJLHO-XVOBZGQLSA-N	636.816	1.718	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCNCC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548889615	IRQNUFAVQPNGFV-CTNGQTDRSA-N	501.605	1.507	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Br)c(C)nn4C)[C@H]3SC2)s1	2758674	LFLVEYPMNSAFLX-ZUZCIYMTSA-N	545.466	1.795	0	40	KDAB	
CSCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O	9209804	KTCGAIUTVCWFPT-PMACEKPBSA-N	513.682	1.859	0	40	KDAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	12467550	DUYKQHYREPJUKA-GOSISDBHSA-N	501.521	1.605	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)cc1	12527438	VWERQHLYVZCYBQ-UHFFFAOYSA-N	520.677	1.992	0	40	KDAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccnc4)n3N)cc2)nc(C)n1	16755909	YRSNRZXWQMHRBH-UHFFFAOYSA-N	511.593	1.992	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1	72139385	CURWIPUUJKXBSH-UHFFFAOYSA-N	540.616	1.370	0	40	KDAB	
COC(=O)[C@@]1(Cl)O[C@@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H]1Sc1ccccc1	77269855	UCRSUTGMKNMKAW-DAIKCYFLSA-N	618.057	1.517	0	40	KDAB	in-vitro
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	79228615	VJJPUSNTGOMMGY-ICDVFSKNSA-N	588.562	1.339	0	40	KDAB	biogenic
O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103092718	CXIBFANOJADLNG-BJLQDIEVSA-N	505.593	1.238	0	40	KDAB	
C[C@@H](C[C@@H](C)C(=O)O)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)C[C@@H](C)C(=O)O)CCOCCOCC1	584905898	XBBJVBAFVSRBOC-CIAFKFPVSA-N	546.658	1.217	0	40	KDAB	
CCCN(CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(C)=O)C[C@@H]1CC(C)C)C[C@@H]1CCCO1	643586676	MZSRZTFPWGSDCD-YAMPZCFJSA-N	543.746	1.516	0	40	KDAB	
CSCC[C@@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)O	4544727	RDQXFDPVOCUTTL-SQNIBIBYSA-N	563.458	1.802	0	40	KDAB	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1	8918244	XWLUXOXVBZWLST-PMACEKPBSA-N	511.666	1.709	0	40	KDAB	biogenic
CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)C1	67336919	OFUUCPPBBGALHE-LJQANCHMSA-N	533.651	1.745	0	40	KDAB	
CC(C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	100025347	YJJMWIGHLXQIJG-KMDXXIMOSA-N	598.701	1.657	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=c2\sc3ncnn3c2=O)cc1	101977760	JWIWVBQFRNHLOD-PXNMLYILSA-N	536.389	1.126	0	40	KDAB	
C[C@H](CNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1	105602897	WWIJDIQLBWASKR-QEVSYEORSA-N	632.761	1.076	0	40	KDAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCCCO)cc1	222963554	OVYDSYRCQOWLGU-IBGZPJMESA-N	517.648	1.984	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)[C@H](C)CC	245377518	MACRWUZSSFLAMW-ZXVLIZCJSA-N	585.702	1.852	0	40	KDAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)cc1OC	260890829	STFLVUDDVZNUCB-MRXNPFEDSA-N	529.637	1.304	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4CC4CC4)NC3=O)O2)cn1	514287541	JPFUTQMRBQIZPM-LVBBYBRXSA-N	523.634	1.477	0	40	KDAB	
CS(=O)(=O)N1CCN(C2CCOCC2)C[C@@H](C(=O)NCCN2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1	643561406	JUNQPHJYASNVNG-MUUNZHRXSA-N	647.883	1.869	0	40	KDAB	
CSc1ncnc2c1ncn2[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	5665539	ZUKZORCLTQPHLY-MNOXEHBPSA-N	586.645	1.700	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCCCc1ccccc1)c(=O)n2Cc1ccccc1	8685716	ZJXTXLNTRMGWON-UHFFFAOYSA-N	533.585	1.347	0	40	KDAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN3CCC(C(N)=O)(N4CCCCC4)CC3)cc2)n1	9972211	DLOZAQJZEWWPKL-UHFFFAOYSA-N	515.640	1.330	0	40	KDAB	
CC1(C)[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@H]2S1(=O)=O	16026113	BVLVIFMBEXJMPU-WWNPGLIZSA-N	508.600	1.646	0	40	KDAB	biogenic
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	94303229	TXOOBKBDBNRQCF-QNPWSHAKSA-N	719.910	1.443	0	40	KDAB	biogenic,in-vitro
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277275	TXBZVZJTIGDVTH-CUBQBAPOSA-N	611.675	1.694	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873624	GTNJXMQYAWLUTA-OONGNWCQSA-N	582.726	1.926	0	40	KDAB	
Cc1cc(Cc2cc(C)c(NC(=O)C(=O)C3C(=O)NC(=S)NC3=O)c(C(C)C)c2)cc(C(C)C)c1NC(=O)C(=O)C1C(=O)NC(=S)NC1=O	150436885	ZQSWSWQPYZXXFM-UHFFFAOYSA-N	706.803	1.450	0	40	KDAB	
C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222856573	LQDDXNDJHFTVPU-RDPSFJRHSA-N	563.648	1.938	0	40	KDAB	
O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408676362	CYXOWPHKFHBQNI-DWSTVDDDSA-N	521.614	1.435	0	40	KDAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CC(=O)N2CCC[C@@H]2C(=O)N1	643564909	MVIMNXFARUZLIU-XLGPZGCCSA-N	528.650	1.725	0	40	KDAB	
CCN(CC)Cc1nc2c(c(=O)n(CCOC(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)n2C)n1C	1305138	FMUQMLMBOWBVII-UHFFFAOYSA-N	503.556	1.158	0	40	KDAB	
COCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1	6904798	MOGBKRMLYVADHT-OAQYLSRUSA-N	557.629	1.996	0	40	KDAB	
CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCN(C)CC4)n3)CC2)c1	9620985	XIGCAKYCHNTNDH-UHFFFAOYSA-N	504.657	1.845	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2nc(C)cc(C)c2c(=O)[nH]1	12568338	VGJFNCSMHHOXPI-UHFFFAOYSA-N	519.605	1.695	0	40	KDAB	
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1OC	14157735	KYTGQPWQKFNPEF-DEOSSOPVSA-N	516.576	1.894	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)O)CC2)cc1	15997102	NUERHNCURYGMOC-PGRDOPGGSA-N	501.605	1.713	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC	22228369	WAEAXMHXRBFTOW-UHFFFAOYSA-N	503.621	1.896	0	40	KDAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)n1	44903791	BISWSYXTOLAKTC-UHFFFAOYSA-N	501.546	1.677	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838170	OAHDFOJKUMQXCM-OAHLLOKOSA-N	532.040	1.353	0	40	KDAB	
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CCOCC1	100892751	ACDSBGUUTNSCFL-UHFFFAOYSA-N	604.660	1.843	0	40	KDAB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O	252286753	HRKNNHYKWGYTEN-SMDHIDKFSA-N	734.969	1.559	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@@](C)(O)CO	299851153	ABPYUKBBMCBILQ-MTWOJAPMSA-N	737.939	1.538	0	40	KDAB	in-vitro
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN(C)C)CCC(=O)N[C@H](C(C)C)C(=O)N1	643564835	ITGFZJLUAWYMKW-YZUZCNPQSA-N	517.671	1.307	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCN2CCCCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643565876	KWBAQORWOXWINW-ZEQRLZLVSA-N	535.645	1.013	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567733	SZLRQECZMKDKHI-UIOOFZCWSA-N	576.625	1.957	0	40	KDAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)CN(C)C1=O	643569127	MFKZMISSHXCYEE-FYMVNZAOSA-N	664.804	1.210	0	40	KDAB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	5047694	VRWIMNXQXLLYDR-YTFSRNRJSA-N	529.590	1.411	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6547148	AMQSYVYIRBZXML-IBGZPJMESA-N	515.548	1.802	0	40	KDAB	
Cn1c(=O)c2c(nc(N3CCN(c4ccccn4)CC3)n2Cc2ccc(Br)cc2)n(C)c1=O	9327348	PSQPCOMWGOUBQS-UHFFFAOYSA-N	510.396	1.966	0	40	KDAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CSc2nnc3nc(C)cc(C)n23)cc1	19819756	BZTVMAMSVRDXHS-SFHVURJKSA-N	510.580	1.147	0	40	KDAB	
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccccc21	44885844	PZGYTLUWPJWZSI-IBGZPJMESA-N	503.562	1.833	0	40	KDAB	
COCCN(C(=O)COC(=O)c1ccc(Br)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	95571365	BKHCMBUTDQGUGP-UHFFFAOYSA-N	521.324	1.359	0	40	KDAB	
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc(C(C)=O)c4)CC3)C2=O)cc1	102851430	KGLLPYSQGNVQQS-RUZDIDTESA-N	528.587	1.198	0	40	KDAB	
O=C(OCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1	102939424	DPRWQAWGTKTCSZ-UHFFFAOYSA-N	604.751	1.870	0	40	KDAB	
CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccccc21	224397787	FUNXDHOOCUEPSQ-QFIPXVFZSA-N	523.633	1.583	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643565898	LILSZTWYDYTFQB-UIOOFZCWSA-N	563.699	1.794	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCN(C)C1=O	643569249	QCNMDVYPDXJBFC-MXNKGDRCSA-N	516.639	1.583	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CC(=O)NC(C)(C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643576601	VMTRAVJRVZBSKP-UIOOFZCWSA-N	622.767	1.154	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	9600411	SXEKETCPKOEHAN-JOCHJYFZSA-N	516.576	1.007	0	40	KDAB	
Cc1ccc(OC[C@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C	10274084	GYAPJQLFIXNQJD-OAQYLSRUSA-N	504.591	1.807	0	40	KDAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	222834673	WHBDKMIWJMKCTD-UHFFFAOYSA-N	520.029	1.047	0	40	KDAB	
CCOc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	224470482	FXTHNKVFTWBFHI-UHFFFAOYSA-N	541.648	1.067	0	40	KDAB	
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	247647530	KYWSCMDFVARMPN-VCIVXBGZSA-N	780.993	1.777	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@H]2CC3(CCN(C(=O)CCCN4Cc5ccccc5C4)CC3)OC[C@]2(C)O)n(C)c1=O	257216245	CTRKTQRHCDKARF-DWACAAAGSA-N	550.660	1.303	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	2037916287	USPLGDABFYRVGF-PLWWPAAYSA-N	552.628	1.095	0	40	KDAB	
C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@@]5(C)[C@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]45C)[C@@]3(C)CO)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000188	AMXYFWUYMQOLRN-ZHPBYVFHSA-N	913.108	1.345	0	40	KDAB	
COC[C@H](COCCCNC(=O)NCCCCCCNC(=O)NCCCOC[C@@H](COC)OC)OC	8767937	CLGSOXUFQBZHFW-FGZHOGPDSA-N	522.684	1.281	0	40	KDAB	
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1S(=O)(=O)N1CCOCC1	13141796	YQUHTLKREMJHEN-UHFFFAOYSA-N	504.590	1.694	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	15959570	RSYMITBROVGXDY-OQGNEYSTSA-N	526.977	1.586	0	40	KDAB	biogenic
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1	20032879	XHKUBWNVYKHMHL-UHFFFAOYSA-N	502.014	1.904	0	40	KDAB	
OC[C@@H]1O[C@H](CN(Cc2ccccn2)Cc2ccccn2)[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H]1O	67890387	CFTAATOEXPFXBH-WXIAYYLYSA-N	507.610	1.929	0	40	KDAB	biogenic,in-vitro
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712219	GDZJPAKEKJDVRZ-LBRNTXKHSA-N	564.617	1.451	0	40	KDAB	biogenic
CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(N)=O	85868006	LYDCRXQQBDNGOO-KVVRFYPFSA-N	775.901	1.181	0	40	KDAB	
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O	96019685	KSVSXQCOEZIXHY-RUZDIDTESA-N	564.567	1.426	0	40	KDAB	
O=C(NCCNC(=O)c1ccc2c(c1)OCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCO2	108292031	KRFQGWVZGQDPED-UHFFFAOYSA-N	560.600	1.455	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2	224453116	RPNNPIDQSBFYJY-UHFFFAOYSA-N	523.633	1.537	0	40	KDAB	
Cn1c(=O)c2c(ncn2[C@@H]2CN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)C[C@@H](O)C[C@@]2(C)O)n(C)c1=O	257282977	OWCVVTGLRDOTKA-AKQVGLANSA-N	577.564	1.168	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCC(N)=O)C(=O)O)C3=O	1775963860	GZQBLGGHXGVJRY-URTFOWQMSA-N	530.618	1.945	0	40	KDAB	biogenic,in-vitro
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1	2689505	UWPGEIUNMDXCHM-UHFFFAOYSA-N	559.582	1.236	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N	6546733	DSYRNPFQXAKIFB-GOSISDBHSA-N	501.521	1.186	0	40	KDAB	
COc1ccc(CN2C(=O)C[C@H](N3CCN([C@@H]4CC(=O)N(Cc5ccc(OC)cc5)C4=O)CC3)C2=O)cc1	103116177	BOYKBKWTWKIAOM-PSWAGMNNSA-N	520.586	1.277	0	40	KDAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224267826	JMAQYPIAUSGTGX-UHFFFAOYSA-N	513.638	1.324	0	40	KDAB	
COc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1	224994942	ZGHPGCSCDWMVGL-UHFFFAOYSA-N	513.594	1.129	0	40	KDAB	
Cc1ccc(C)c(S(=O)(=O)NCCN([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(C)ccc2C)c1	575420184	AFKBKOUUYKAYKO-PMACEKPBSA-N	530.690	1.047	0	40	KDAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	2037916316	LBZUKSTYIXDCER-WAKHXKBOSA-N	677.730	1.592	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6546839	MCWLSGRZBNOCNO-GOSISDBHSA-N	501.590	1.949	0	40	KDAB	
COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1	12538260	CCEMMOYCKPPUQT-FQEVSTJZSA-N	523.633	1.898	0	40	KDAB	
COCCN(C(=O)COC(=O)CCOc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12921829	OWVHUQXTGHQGDL-UHFFFAOYSA-N	510.547	1.467	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	97981476	VQSZHSINDDHDTF-UHFFFAOYSA-N	532.619	1.201	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	97990166	MAMQUBNNNVOLHE-QHCPKHFHSA-N	530.603	1.397	0	40	KDAB	
CNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1Cl	103070688	NOVMGNXUAKMPOQ-UHFFFAOYSA-N	566.441	1.718	0	40	KDAB	
CCn1c(COc2ccc(C)cc2)nnc1S[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	103507106	BAGALEQQJQOATL-DDBGIMTGSA-N	578.644	1.934	0	40	KDAB	
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4C(=O)CC4=C6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253532194	KHQMXKRETWUVJU-OJTRRYQQSA-N	911.092	1.694	0	40	KDAB	biogenic,in-vitro
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4C=CC4=C6CC(C)(C)CC[C@]6(CO)[C@@H](O)C[C@]45C)[C@]3(C)CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	256016895	ZXCJHOYFGJUMDY-KQMLCHPISA-N	780.993	1.681	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)[C@H](N)[C@H](C)[C@H](O)[C@@]1(C)O	306122633	XCLJRCAJSCMIND-BIZXWKKFSA-N	734.969	1.544	0	40	KDAB	biogenic
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)c2cnccn2)CC3=O)CC1	514287480	FUNLSYLTCODUGL-LIOVRKMKSA-N	532.645	1.696	0	40	KDAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Br)cnn4C)[C@@H]3SC2)s1	2752092	NQKUQAIUTHXBRS-XPTSAGLGSA-N	531.439	1.487	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N	6090071	MJMQDLOQCKGXFB-OAQYLSRUSA-N	540.602	1.681	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC	6547077	WZGPTCPNFHPWIB-NRFANRHFSA-N	557.585	1.614	0	40	KDAB	
C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O	8791556	WNXSMSHXVZMJEO-UHOSZYNNSA-N	521.636	1.807	0	40	KDAB	biogenic
CCC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(OC)c1	16029480	PRGWPEPFIYKYJJ-UDIRQSBCSA-N	510.492	1.750	0	40	KDAB	
COc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1OC	19941016	CSVXNZYXUYJBQV-UHFFFAOYSA-N	533.695	1.276	0	40	KDAB	
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCCN2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1	19941056	STSSECTWCXRNFY-HXUWFJFHSA-N	516.668	1.953	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)c(C)c(=O)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	70691731	VHGVNYJEZVVZRL-LEKAPFLCSA-N	520.487	1.872	0	40	KDAB	biogenic
Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2=O)cc1	101008260	BYUQAJZJLKXWQV-UHFFFAOYSA-N	536.614	1.401	0	40	KDAB	
CCN(C(=O)CN(CC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	150483657	BIGKPGZOLVWQOD-UHFFFAOYSA-N	697.753	1.149	0	40	KDAB	
O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)[C@@H](O)[C@H](O)[C@H]1O	254309074	PLORCKNHUZJPKH-ZWQLJSFDSA-N	580.542	1.953	0	40	KDAB	endogenous,in-man
C[C@]1(O)C[C@@H](O)CN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@@H]1n1cnc2c(N)ncnc21	257213144	CGIOSZIKYDNRDO-RKFVTTHHSA-N	504.473	1.363	0	40	KDAB	
O=C1NC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1ccccc1)CC2	1548891277	ZFUFLCOUBZYEIA-UXHICEINSA-N	514.604	1.776	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6547136	SNSRWWQNLLEVGD-SFHVURJKSA-N	503.512	1.932	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	20031494	GNUOAVGKJDGHMH-KRWDZBQOSA-N	511.622	1.089	0	40	KDAB	
COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1	20610071	HCAZLKHBNDYKGY-OZXSUGGESA-N	502.571	1.972	0	40	KDAB	biogenic
Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCCN3CCOCC3)cc2c1	26100154	GUKYSVXBIDRHIE-UHFFFAOYSA-N	501.697	1.958	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C	36387466	IIVQFXXEDPCTDV-GGAORHGYSA-N	517.604	1.446	0	40	KDAB	
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277281	TXBZVZJTIGDVTH-UFHPHHKVSA-N	611.675	1.694	0	40	KDAB	
COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	102865183	AQKPXOWLUQPPRH-HNNBLKHNSA-N	531.514	1.661	0	40	KDAB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c4c(c(OC)c5c3OCO5)CN(C)CC4)CC2)c(OC)c1	524731327	SVISWWCKSITQDW-UHFFFAOYSA-N	533.603	1.576	0	40	KDAB	biogenic
Cn1c(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	32994672	HLHBVHXDDSJFLX-UHFFFAOYSA-N	506.606	1.569	0	40	KDAB	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(=O)[nH]c1=O	38140799	PWBKWRNECWSDEH-NDEPHWFRSA-N	548.600	1.928	0	40	KDAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	1775963859	GZQBLGGHXGVJRY-OUVXZEMISA-N	530.618	1.945	0	40	KDAB	biogenic,in-vitro
NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	4016599	IJBJZNHVCMJTNM-DQEYMECFSA-N	548.596	1.182	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC	6547060	KKHFHSVGWMKLLE-NRFANRHFSA-N	557.585	1.614	0	40	KDAB	
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1=O	13140156	CENNVHQNBHOOMN-XMMPIXPASA-N	518.567	1.951	0	40	KDAB	
COC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccco1	34389353	GNLJLESLCWFQBT-KJCUYJGMSA-N	510.549	1.604	0	40	KDAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1	224367221	FWMBKSMKESVCHF-UHFFFAOYSA-N	513.613	1.962	0	40	KDAB	
CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C=O)CC4)[C@@H](C=CCOc4ccccc4C2)C3)CC1	958317729	IMEPWJSYQJSADM-DQEYMECFSA-N	537.705	1.687	0	40	KDAB	
CC(=O)N[C@@H](CC[S@@](C)=O)C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037829059	JZTIIXMOXOQOAA-TYKJXPIYSA-N	600.782	1.467	0	40	KDAB	
CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]12)n1nc(C)c(Cl)c1C	2730926	NXNMTXPUPIYCKG-ZUCKAHLUSA-N	527.032	1.159	0	40	KDAB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)NC[C@@H]1CCCO1	12546952	YNYDXJIMRIBXMN-NRFANRHFSA-N	505.568	1.789	0	40	KDAB	
COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc2ccccc12	85577200	FDRPHVPMXLXYNU-PUUVEUEGSA-N	690.806	1.598	0	40	KDAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1	101978065	AEZLOBACHXRBJC-MOSHPQCFSA-N	534.579	1.426	0	40	KDAB	
CC(=O)N1CCC(N2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253394459	BASSZYHYQMMQTK-KEQINOFFSA-N	594.713	1.032	0	40	KDAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2	253394947	BLIWAZZZQNGQHG-DEXHYYOUSA-N	560.648	1.326	0	40	KDAB	
O=C(O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409132771	RFROMICWNIFGPL-RIYZIHGNSA-N	532.312	1.650	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2)c(=O)n(C)c1=O	3376165	CYWZQBFHPFJLNG-LMKMVOKYSA-N	532.619	1.295	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3978073	VJJPUSNTGOMMGY-VGPMVMTPSA-N	588.562	1.339	0	40	KDAB	in-vitro
COc1ccc(CCn2c(-n3ncc4ccc(OC)c(OC)c4c3=O)nc3c2c(=O)n(C)c(=O)n3C)cc1	12550292	JYFSGWGABWWVCP-UHFFFAOYSA-N	518.530	1.401	0	40	KDAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1	59838512	WCQSSFZGQHFILP-UHFFFAOYSA-N	567.686	1.442	0	40	KDAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873633	JDLCGGBENVPERM-PNHLSOANSA-N	625.751	1.591	0	40	KDAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102327849	NOKCKQRHADLYOG-ZOUVKXEKSA-N	565.572	1.398	0	40	KDAB	
Cn1c(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(=O)c2ccccc21	103071298	BKSPOMYUJGEDDV-UHFFFAOYSA-N	533.006	1.596	0	40	KDAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	503922178	GECFLNOUXIAXFR-QTVCLEQKSA-N	568.630	1.395	0	40	KDAB	biogenic
CC1(C)NC(=O)N(CCOc2ccc(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O	585281896	SOIOVMLQGIYHNL-NVQXNPDNSA-N	501.555	1.912	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCCNC1=O	643566435	YINOITVOMHOIBT-WIOPSUGQSA-N	508.619	1.964	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CCC(=O)N[C@@H](CO)C1=O	643569016	JHUWTMJCPZGZGB-VXKWHMMOSA-N	542.608	1.126	0	40	KDAB	
O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	12645616	MHGLXRKEIDJFRY-UHFFFAOYSA-N	514.670	1.493	0	40	KDAB	
CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1	13525818	XSZRTWCWEGFIOI-MRXNPFEDSA-N	507.030	1.707	0	40	KDAB	
CCn1cc(C(=O)N2CCC(C(N)=O)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338362	RDZIPNGOCMQFGB-UHFFFAOYSA-N	502.641	1.368	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)OCCN3CCCCC3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70665544	BDUNELQYTLRTRJ-JBMSBTKCSA-N	579.599	1.791	0	40	KDAB	biogenic
COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc1cc(C)ccc1N(CC(=O)OC)CC(=O)OC	72131557	OWGVQVGXYFWIHF-UHFFFAOYSA-N	546.573	1.758	0	40	KDAB	in-vitro
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(C(=O)c2ccco2)CC1	72329750	DRLMVRJYTBVBCS-UHFFFAOYSA-N	506.475	1.369	0	40	KDAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)nc21	98000248	HPELODKUAVMOBM-UHFFFAOYSA-N	556.601	1.372	0	40	KDAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(O)cc3)n2)o1	100290862	YKLCRQYTCZYFCM-OZXSUGGESA-N	567.647	1.535	0	40	KDAB	
CCC[C@@H]1C[C@H](C(=O)N[C@@]2([C@@H](C)OC(C)=O)O[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)N(C)C1	100639948	DARVXQDVSMWTSV-CAJGBVIJSA-N	560.666	1.385	0	40	KDAB	
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1=O	103028726	RBFUYHINZIRMDS-HHHXNRCGSA-N	534.573	1.156	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3cccc(OCCN)c3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257334464	YFZUVWYVLAJZGK-AVRDEDQJSA-N	537.411	1.436	0	40	KDAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OC)c(I)c2)C1=O	408548996	PAVHCHBSEFJAGO-BJMVGYQFSA-N	542.067	1.970	0	40	KDAB	
C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)C[C@@H](C)O1	643568419	BEAHWVODJRHLDC-IKVMQTKTSA-N	566.655	1.485	0	40	KDAB	
C[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643568761	FTBDUTOFPWYYPJ-RDPSFJRHSA-N	568.646	1.924	0	40	KDAB	
COCCN1CCN(CC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c3ccccc3F)C[C@H]2CC(C)C)CC1	643586663	LJXIVNFODCCZGV-GSWOMDGUSA-N	624.795	1.322	0	40	KDAB	
Cc1noc(C)c1CN1CCC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888974	DMOAALNVTWDGBM-VWNXMTODSA-N	589.715	1.185	0	40	KDAB	
Cc1noc(C)c1CN1CCC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889073	GECAHYCNQSLMTJ-QUCCMNQESA-N	504.609	1.349	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	2049252027	IPWQJEONCUFCOR-VVYABWBPSA-N	710.821	1.952	0	40	KDAB	
Cn1c(N)c(C(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O	3268903	QYOKIYBKVZGCRS-UHFFFAOYSA-N	545.346	1.486	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@H](Sc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	4403155	OJVHDCHVHOISBO-NNFAQLGDSA-N	728.722	1.398	0	40	KDAB	
CSc1ncnc2c1ncn2[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	5665535	ZUKZORCLTQPHLY-KNCYDQBVSA-N	586.645	1.700	0	40	KDAB	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)C1	12483976	BNNMSUXZCPQJRL-QGZVFWFLSA-N	510.590	1.858	0	40	KDAB	
CCCOc1ccc(/C=c2/s/c(=C\C(=O)OCC)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1	33504818	VAOJRIZKZZZBSY-QTYYJASRSA-N	524.595	1.916	0	40	KDAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101575193	VOEBONRNAWTOGV-QJRASEFVSA-N	564.617	1.451	0	40	KDAB	
COc1cc(NC(=O)c2cc3ccccc3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(OC)cc1Cl	103665253	UJPWFVGXQNDAFV-LEKAPFLCSA-N	519.934	1.941	0	40	KDAB	
Cc1cc(C)c(S(=O)(=O)NCCN([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(C)c(C)cc2C)cc1C	575421205	HIEUBBLMDRKDBH-FGZHOGPDSA-N	558.744	1.664	0	40	KDAB	
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC	601014234	CLEGFGKFODRAPQ-TVFCKZIOSA-N	542.630	1.883	0	40	KDAB	
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	5273603	FAXGPCHRFPCXOO-SEFDSNMXSA-N	685.904	1.467	0	40	KDAB	in-vitro
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15957276	BXEZXMPVDQZFPE-LJZUKVSMSA-N	510.934	1.563	0	40	KDAB	biogenic
CCOC(=O)C1CCN(C(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)CC1	72332069	TWTRYLUETVZBLY-UHFFFAOYSA-N	524.574	1.770	0	40	KDAB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C23C=CC12[C@@H]1C=C[C@@H]3n2c(=O)n(-c3ccccc3)c(=O)n21	101044415	JSCBSEHJZKRCBV-HQBXBSJBSA-N	504.506	1.489	0	40	KDAB	
O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103099880	TWSYSFHLILCWCN-UHFFFAOYSA-N	616.114	1.496	0	40	KDAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	224482551	FMJOGQOWHCIESJ-UHFFFAOYSA-N	537.660	1.691	0	40	KDAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3cc(F)c(O)nc3=O)[C@@H](O)[C@@H]2O)cc1	257334064	YEJJBPIBZPLYFG-UAFMIMERSA-N	536.557	1.237	0	40	KDAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)N2CCOCC2)CC3=O)CC1	514287551	KOARMEKUKIZNEY-XTENPYMWSA-N	553.660	1.045	0	40	KDAB	
COc1ccc(S(=O)(=O)NCCN([C@@]2(C)CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)cc2)cc1	575426076	LWWKAEFABZXFMV-NRFANRHFSA-N	532.662	1.250	0	40	KDAB	
C[C@@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@H]1n1cc(Br)c(O)nc1=O	585284803	HXYIRABPKHEPIJ-NJNPRVFISA-N	537.411	1.061	0	40	KDAB	
CCCNC(=O)N1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889055	FMGYXNDZFNYCDF-YADHBBJMSA-N	564.705	1.557	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCNC1=O	1615155994	IRYGATXIEGQHCE-GOTSBHOMSA-N	529.682	1.549	0	40	KDAB	
COc1ccccc1CC(=O)N[C@H]1C[C@@H]2C(=O)N[C@H]3CCN(C(=O)c4cc(C)ccc4C)[C@@H]3C(=O)N2C1	1772595136	YZXPNIXBBHIXPF-ZNNUDVHBSA-N	504.587	1.353	0	40	KDAB	
COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(OC)c3)CN2C(=O)c2cccn2C)C(N)=O)cc1	4200927	GGCQDCNGBGTZME-OPHFCASCSA-N	562.627	1.660	0	40	KDAB	biogenic,in-vitro
CC1(C)O[C@H]2[C@@H](COC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)O[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1	8740021	NCRHFKAHKVXKCU-NXIXHYNASA-N	515.519	1.299	0	40	KDAB	
COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC	13133657	KTTYXLKTJPYJEF-WMLDXEAASA-N	519.576	1.461	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	20456903	DZHGVRHKMWEBJV-UHFFFAOYSA-N	511.622	1.964	0	40	KDAB	
O=C(O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	59103766	YNDHMOOYCXUWTB-YCRREMRBSA-N	525.049	1.494	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	104234723	IEPCYJLTAGEWNI-ZWPRAHBVSA-N	602.589	1.642	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643565150	DTRSQZYIZCHDMJ-NPAAKHOSSA-N	585.661	1.746	0	40	KDAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643568633	AVSOHXRLTMUVHM-UIOOFZCWSA-N	557.651	1.897	0	40	KDAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCC2=O)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574665	IFEHKPJAUFLWHT-XNFLFYSQSA-N	676.815	1.413	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1nccs1)CC2	1548889611	IHQQWKZSWWUAAG-RTWAWAEBSA-N	577.729	1.037	0	40	KDAB	
O=C1N[C@@H]2CCN(CC(=O)N3CCOCC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	1615130424	YJLJFNSGNBKABJ-JIMJEQGWSA-N	538.689	1.526	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)CC2)cc1	10289088	ZAKUGNUGMAPVSX-UHFFFAOYSA-N	523.633	1.803	0	40	KDAB	
CCCn1cc(C(=O)N2CCCN(C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	67337062	CKTXKJLWIKRXEA-UHFFFAOYSA-N	518.684	1.980	0	40	KDAB	
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@H]3[C@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	70665984	XNZOOKULEFZSKF-WRZGNNGBSA-N	556.656	1.716	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)c(Br)c3C)[C@H]2SC1	97948171	HVCYMXSWVDGCQW-BLLLJJGKSA-N	555.329	1.665	0	40	KDAB	
Cc1ccc(NC(=O)[C@H](C)N2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1S(=O)(=O)N1CCOCC1	103128615	JUWQUXXTHHVHQI-SSOJOUAXSA-N	528.587	1.573	0	40	KDAB	
COC(=O)[C@@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)[C@H](O)[C@H]1O	123279538	IVTQNSRENYRSBR-RRALITOESA-N	524.651	1.573	0	40	KDAB	
COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222855045	PZQPAGCRKQXPOJ-FQEVSTJZSA-N	551.637	1.795	0	40	KDAB	
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	253393420	KFXVNXQXPRPLQA-OPPCMUHXSA-N	668.784	1.789	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H]5[C@H](O[C@@]6(CC[C@@H](C)CN6)[C@@H]5C)[C@H](O)[C@H]43)C2)[C@@H](O)[C@H](O)[C@H]1O	253532295	RNUHPRWYDXEBOM-AUXQCQETSA-N	739.944	1.014	0	40	KDAB	biogenic,in-vitro
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC1=O	607857620	BSMORZQXPRJUEU-DOYWLLCJSA-N	777.920	1.109	0	40	KDAB	biogenic,in-vitro
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)CCC(=O)N(C)CC1=O	643569283	RNBZNXFWZKFXQO-SFHVURJKSA-N	552.554	1.296	0	40	KDAB	
CN(C)CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O	643577223	SMJSSQWNBRPYQM-MNUOIFNESA-N	621.735	1.587	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(C)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582727	VLAACDFSZRIFPH-VXKWHMMOSA-N	515.655	1.111	0	40	KDAB	
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Br	1643915	AKDWTVCYSZSYQZ-LBPRGKRZSA-N	567.788	1.684	0	40	KDAB	
CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)n(C)c1=O	2656533	ZIWLBGDKJYZPLN-UHFFFAOYSA-N	520.608	1.390	0	40	KDAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)c(OC)c1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6546934	MKRHJHCAFMUBQW-QFIPXVFZSA-N	555.613	1.904	0	40	KDAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(Br)cc2)cc1	8684074	QBSCALBWFZOATQ-LJQANCHMSA-N	526.409	1.280	0	40	KDAB	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc(O)c2cc(Br)cc(Br)c2n1	17466121	ZSEFFUVQEMHEOM-NSHDSACASA-N	536.246	1.986	0	40	KDAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	34876641	BJNLCTXPPRPFFK-VYJAJWGXSA-N	517.940	1.676	0	40	KDAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100872915	YGGIHOJLFWHCAW-LNVKXUELSA-N	524.646	1.522	0	40	KDAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101575458	QKPHMWUSYGCZRT-URYJJRPLSA-N	574.535	1.985	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(N)n(Cc2ccccc2)c1=O	103064177	HUSRAVOFZKSMKW-UHFFFAOYSA-N	538.561	1.723	0	40	KDAB	
Cc1cccc(C)c1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	224443402	CRZRBNGWXIAEJD-UHFFFAOYSA-N	525.649	1.286	0	40	KDAB	
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1	225875731	GMQXWGAGVFTRAO-UHFFFAOYSA-N	507.619	1.794	0	40	KDAB	
C[C@]1(O)CC2(CCN(C(=O)c3cccc(OCC(=O)O)c3)CC2)OC[C@@H]1n1cc(Br)c(O)nc1=O	257301037	RWRWUTLLFSEQJK-JTSKRJEESA-N	552.378	1.562	0	40	KDAB	
CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)N4CC[C@@H](O)C4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1	514287499	GQLXDPIENUHOOT-KDJQIBDVSA-N	510.679	1.979	0	40	KDAB	
COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c(OC)c1	9519760	UQIANRVYKCWYRL-UHFFFAOYSA-N	501.561	1.930	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)O)CC2)cc1	15997099	NUERHNCURYGMOC-XMSQKQJNSA-N	501.605	1.713	0	40	KDAB	
COCCCNC(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2sccc21	17434255	FXQDCLLBYWSWDU-UHFFFAOYSA-N	544.630	1.983	0	40	KDAB	
O=S(=O)(NCCCN1CCN(CCCNS(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1	20457998	NJQPZZLMCCKMSR-UHFFFAOYSA-N	516.636	1.619	0	40	KDAB	
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)c1	22609810	YBKUSBUMJYISOK-JOCHJYFZSA-N	513.570	1.321	0	40	KDAB	
CC(C)(C)OC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)OCCS(C)(=O)=O	98045068	KWWBDQJVWHHYRX-LEWJYISDSA-N	614.718	1.315	0	40	KDAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Br)cc1	102100738	BTDWTBNKOJQMNB-SFHVURJKSA-N	532.395	1.156	0	40	KDAB	
COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)s1	222549740	NDAPWYGBBRRZSG-UHFFFAOYSA-N	504.637	1.798	0	40	KDAB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CO)CC[C@]3(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C	253389341	IDUNGWJLADYQNW-FOSGHQEGSA-N	810.975	1.381	0	40	KDAB	biogenic,in-vitro
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N[C@@H]2CC[C@H](O)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)c1	257313938	UUTAKQWZMBHCRL-KOUHRCEDSA-N	541.609	1.557	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	408704181	YHVGQDBOYPRIGC-UHFFFAOYSA-N	509.606	1.753	0	40	KDAB	
COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1	15982160	SCCFHVYGANHZBI-DFFLPILJSA-N	507.609	1.692	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C	150340185	SICITCLFXRGKJW-IIZANFQQSA-N	652.837	1.654	0	40	KDAB	
COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222932605	NLFQWCVFDTXLGC-NRFANRHFSA-N	563.673	1.665	0	40	KDAB	
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	253617071	FPSVPAKQFLQRFE-UOIHILAWSA-N	752.675	1.257	0	40	KDAB	
Cc1cc(C(F)F)n2nc(C(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)nc2n1	257330368	XOBSEPLMNREDBM-IQMFZBJNSA-N	542.551	1.727	0	40	KDAB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCNC(=O)[C@H]3CC(=O)OC)nc3c(C)cccn3c2=O)SC1=S	2360772	OTHWZLAQZYDHQZ-KNODJDPOSA-N	529.644	1.871	0	40	KDAB	
O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4ccnc4)cc3)CO[C@H]12)c1cccs1	4147877	OCZHEWULGYTGAI-RNIPGJKVSA-N	501.550	1.398	0	40	KDAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6546765	PERUKXOZEXGYJE-LJQANCHMSA-N	515.523	1.736	0	40	KDAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@@H]2SC1	8715747	HNETYTVYQRECAI-UGSOOPFHSA-N	504.899	1.653	0	40	KDAB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCOCCOCC2)c2ccccc2)cc1	9873347	VDWJPDWEIGBVFU-XMMPIXPASA-N	506.621	1.923	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1OC	15969343	YWKGSECTELBOFJ-WYMULPSZSA-N	526.977	1.586	0	40	KDAB	biogenic
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5c(C)noc5C)CC4)C3=O)ccc2c1	96021393	BIYNQKHQRPZLOA-SANMLTNESA-N	555.613	1.753	0	40	KDAB	
Cc1nn(-c2ncnc3nc[nH]c23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc21	101363440	QRJQNNVSPHQUOP-WZQKQDCOSA-N	575.611	1.117	0	40	KDAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1	224272026	ZWZPPZDANAFBQA-UHFFFAOYSA-N	509.650	1.841	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(CN2CCOCC2)c1	224754231	PPNMPGNLBZWWFQ-UHFFFAOYSA-N	517.648	1.797	0	40	KDAB	
CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[C@@H](n2cnc3c(=O)n(C)c(=O)n(C)c32)[C@@H]1O	257320796	VYSCVBRFNQFTLU-CBGDNZLLSA-N	513.986	1.509	0	40	KDAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1OC	643567112	SCRAMMFTSUSCHV-WVWQGWJGSA-N	596.681	1.190	0	40	KDAB	
O=C1NC2(CCOc3cc(N4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1F)CC2	1548889326	GKWMAJQHAZAJLK-VWNXMTODSA-N	589.690	1.115	0	40	KDAB	
COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC	12703269	YJRIMYYOACGGAN-QHCPKHFHSA-N	512.567	1.880	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)[C@@H](C)O)cc1	35510827	SFTZKTMRGJIBQL-VFGMZZLHSA-N	521.617	1.889	0	40	KDAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CC(=O)O)C(=O)[C@H]45)[C@H]23)cc(OC)c1O	101174958	IHWRBHBKLZOBIG-UKJFSYANSA-N	518.569	1.717	0	40	KDAB	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1cccc2c(C)cc(=O)oc12	150350613	QHXZCPKSFRMFNL-CXZWWHDOSA-N	730.820	1.193	0	40	KDAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1F	224487954	USDBDQVDUPRNDM-UHFFFAOYSA-N	543.639	1.588	0	40	KDAB	
Cc1ccc(CN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)S(C)(=O)=O)cc1	224832615	FFMPXFQWQJCDMA-UHFFFAOYSA-N	508.666	1.640	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	225085140	TVUQMLIRZLWYLZ-UHFFFAOYSA-N	509.562	1.170	0	40	KDAB	
COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1	408578257	KOCIFMBRGRSZNS-FQEVSTJZSA-N	510.591	1.904	0	40	KDAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccncc4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	514287393	UCRRCIHVKCCPNM-DXLYGPJMSA-N	591.709	1.766	0	40	KDAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCOc2ccc(OC)cc2)CC(=O)N(C)CC1=O	643570904	XMWZLBGHAPDBTO-QHCPKHFHSA-N	540.617	1.468	0	40	KDAB	
CC(C)Cc1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)C3=CC[C@@H](C(C)(C)O)CC3)c2o1	1772591285	RCOKBEQNXSUVDZ-ZIZBOMAVSA-N	562.612	1.966	0	40	KDAB	
CC(=O)O[C@]12CO[C@H]1C[C@@H](O)[C@]1(C)C(=O)[C@@H](O)C3=C(C)[C@H](O)C[C@](O)([C@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C	4543727	YWLXLRUDGLRYDR-RSRQBNJTSA-N	544.597	1.082	0	40	KDAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	9494224	QVBZGGOZXMIRMA-CEMPLAKHSA-N	507.568	1.671	0	40	KDAB	
Cc1c(CCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc(O)ccc12	70699917	JDNWYTILYCPBSU-FQEVSTJZSA-N	543.960	1.438	0	40	KDAB	biogenic
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C)C(=O)O	70700912	LKTUJUDNQJTEHZ-YDFBLROQSA-N	519.558	1.685	0	40	KDAB	biogenic
COc1c2c(cc3c1OCO3)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H](C1(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C1=O)C2	70706366	OUVPTWDPFATDGC-FQEVSTJZSA-N	605.604	1.240	0	40	KDAB	biogenic
CSCC[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	98007026	VAQRAIRRIIFXAS-OSIQOQRZSA-N	534.638	1.618	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(NC(C)=O)sc3c2CCCC3)c(N)n(Cc2ccccc2)c1=O	103067390	SJWGARCXSFLMQC-UHFFFAOYSA-N	568.608	1.752	0	40	KDAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	222969210	TZVVYIJLJXLHFX-SFHVURJKSA-N	521.636	1.680	0	40	KDAB	
C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1	245190581	TYNQWWGVEGFKRU-OHIAVPKISA-N	852.072	1.183	0	40	KDAB	
CCN1C[C@@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34[C@H]1[C@](O)([C@H](OC)[C@H]32)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC	249693073	NNDHDYDFEDRMGH-SVWCWQDCSA-N	586.726	1.718	0	40	KDAB	biogenic,in-vitro
C[C@]1(O)COC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21	257221131	DNQDRAWVZPVZPB-UUOWRZLLSA-N	505.583	1.504	0	40	KDAB	
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(OC)c(OC)c3)C2)c(OC)c1	408650139	ARXMAFKEJQTGIA-OAHLLOKOSA-N	501.492	1.396	0	40	KDAB	
CS(=O)(=O)Nc1ccn(CCNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)n1	643584208	IPRGMUOQEGCWHZ-UHFFFAOYSA-N	513.620	1.774	0	40	KDAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6546760	NVADBPPWIZNUAV-HXUWFJFHSA-N	541.542	1.326	0	40	KDAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1	23077829	FUEDVVGVLOSDMF-UHFFFAOYSA-N	504.609	1.687	0	40	KDAB	
COc1cc(CCNS(C)(=O)=O)c(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1OC	100228412	BICYNVLNTQRAFC-UHFFFAOYSA-N	569.746	1.845	0	40	KDAB	
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O	150339219	YGXCETJZBDTKRY-GFHIVLMGSA-N	866.973	1.270	0	40	KDAB	in-vitro
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253389323	HRDMCVCODUFPBQ-FRIGPNEMSA-N	941.118	1.826	0	40	KDAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1c2c(c(OC)c3c1OCO3)C(=O)N(C)CC2	604404501	HYNBVKJTYURQJD-UHFFFAOYSA-N	505.549	1.241	0	40	KDAB	biogenic
CC(=O)N1CCC(CC(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)CC1	643566032	OFKDVXQYJGCNLT-XZOQPEGZSA-N	501.624	1.107	0	40	KDAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566127	PQNNPKSWGZNZOT-UWJYYQICSA-N	512.582	1.764	0	40	KDAB	
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)=O)C2	2725220	GNOAZZAIKQTMAV-UHFFFAOYSA-N	506.606	1.286	0	40	KDAB	
Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1C	19824307	KDZMXKUXFAPZAQ-UHFFFAOYSA-N	501.697	1.876	0	40	KDAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O	23078389	LZCDMICKWJRQHX-UHFFFAOYSA-N	500.021	1.882	0	40	KDAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c(C)c1C	62725243	AEDVJDMITHPZNB-WVNMJAPOSA-N	525.532	1.506	0	40	KDAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4Br)C3=O)CC2)cc1	102896080	UAGLGBLCWHWKNO-XMMPIXPASA-N	577.457	1.952	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1	224421577	LGKIAVISQSNVTA-UHFFFAOYSA-N	523.589	1.943	0	40	KDAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4nccn4C)NC3=O)O2)cn1	514287488	GANUCFRULVYBKV-LVBBYBRXSA-N	563.659	1.001	0	40	KDAB	
C[C@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(CC[C@]5(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	605851156	UPADPCUOTDTWHH-LRNCMHNDSA-N	768.982	1.752	0	40	KDAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccccc3)CC2)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1	643571879	MAMWMRLKOAUETQ-QKDODKLFSA-N	634.782	1.195	0	40	KDAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)N2CCCN(Cc3ccccn3)CC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O	643574941	CKPRNEFIADNBEG-NKNKRSNTSA-N	732.927	1.833	0	40	KDAB	
C[C@H](C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)N1C(=O)c2ccccc2C1=O	2694927	VRZVQLODLINKBB-CYBMUJFWSA-N	500.558	1.940	0	40	KDAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1	20676548	INBGWBUFMNCIKL-OAQYLSRUSA-N	528.009	1.542	0	40	KDAB	
COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)C(C)C)cc1	102837298	WVXKFQOKRARDFH-NRFANRHFSA-N	539.632	1.229	0	40	KDAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1	226020798	HERHWRMAQJSZFG-UHFFFAOYSA-N	504.428	1.473	0	40	KDAB	
C[C@@H](CC[C@@H](O[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C	257498118	NWPTUAQJIALPLJ-ZFIRPFBXSA-N	801.024	1.120	0	40	KDAB	biogenic,in-vitro
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)S(C)(=O)=O	260722553	PSUWTDVGHGMSQV-XMMPIXPASA-N	534.654	1.105	0	40	KDAB	
CN(C)CCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643574871	WWAZIUMMYUWSSI-GHPAMLPFSA-N	684.838	1.939	0	40	KDAB	
CCn1nc(C)c(CCC(=O)N2CCCOc3ccccc3CCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C2)c1C	1615153541	FLIARIPRKJWRPJ-WPUBFDFZSA-N	547.693	1.547	0	40	KDAB	
CC(C)NCCOc1cc(Cl)ccc1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	2037879517	BBEANDJFNSRPRX-SFTDATJTSA-N	533.025	1.893	0	40	KDAB	
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O	12620992	AVVYGKQOJIBMGR-QFIPXVFZSA-N	506.968	1.767	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1OC	70700139	YFTHXKRDOWJZIO-GPNHVJLWSA-N	526.977	1.504	0	40	KDAB	biogenic
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)O	70700859	GCYUBLCJWCARQS-RXYZOABWSA-N	517.542	1.535	0	40	KDAB	biogenic
O=C(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	102816915	KWKPKIWULDQULX-UHFFFAOYSA-N	555.682	1.739	0	40	KDAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)c(N)n(Cc2ccccc2)c1=O	103072521	DFGZLCGIAKAVEP-UHFFFAOYSA-N	534.598	1.892	0	40	KDAB	
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O	253387423	CMZFNIMQBCBHEX-LWOALSSHSA-N	666.849	1.406	0	40	KDAB	biogenic,in-vitro
COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(C)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1	253406883	VEUSOWNPLSBUSZ-RBYFDUNASA-N	550.656	1.973	0	40	KDAB	
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2	257198700	GHUUTEXYFBCKSM-XKWMZSBWSA-N	738.912	1.361	0	40	KDAB	
COCCCNC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21	409136259	YEUBBJZGPWFMMT-MOSHPQCFSA-N	500.577	1.689	0	40	KDAB	
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)O)CC(=O)N1C	643551257	YHBRVCYDXXKXTF-JLEJFLCFSA-N	518.611	1.171	0	40	KDAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CO)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1OC	643568222	QNVCCMNUYCUUKB-PKXQUSJVSA-N	646.741	1.928	0	40	KDAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN(C)Cc2nonc2C)CCCCOC[C@@H](O)[C@H]1O	643586646	INHXYXWMIASORS-XGELUGHYSA-N	607.724	1.882	0	40	KDAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534612146	HLBRYEBYZNYWAY-FBILRYNDSA-N	524.643	1.974	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3ccncc3)n2CC)c(=O)[nH]c1=O	12850526	CKSXUSJNHSYRHG-UHFFFAOYSA-N	502.601	1.364	0	40	KDAB	
CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1C	15107509	SNCKPKINIHDDJM-GOSISDBHSA-N	509.567	1.469	0	40	KDAB	
CCc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	19961869	FWCOMWYXWZPYCV-QHCPKHFHSA-N	521.618	1.451	0	40	KDAB	
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCOCC1	66128929	YKAITDLAMZQEBD-UHFFFAOYSA-N	539.632	1.298	0	40	KDAB	
Cc1ccc(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)N6CCOCC6)cc5)CC4)nc32)cc1	100445951	JTNFJYSDJWWALG-UHFFFAOYSA-N	613.722	1.873	0	40	KDAB	
O=C(O)c1cccc(CN2CCOCCOCCN(Cc3cccc(C(=O)O)n3)CCOCCOCC2)n1	200501276	AHJIXPVAMVLFOG-UHFFFAOYSA-N	532.594	1.257	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1	225498146	FKZPFTDRQBTRHT-UHFFFAOYSA-N	507.634	1.629	0	40	KDAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1ccc(Br)cc1)[C@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1	575421488	JMKKUVQINGMCLO-LWYYNNOASA-N	704.462	1.238	0	40	KDAB	
O=C(CCc1cccnc1)N1CCCOc2ccccc2CCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	1615152535	BWUKINUEWOPLAG-FKDDUOCFSA-N	502.608	1.108	0	40	KDAB	
CN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCCCCCCOc3ccccc3C(=O)N2)CC1	1615160677	QTPVWLXHCVHBLF-UIOOFZCWSA-N	579.698	1.451	0	40	KDAB	
CCN(C(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)[C@H]1CCS(=O)(=O)C1	12529057	PIGWWQDIZYWHTP-INIZCTEOSA-N	516.544	1.958	0	40	KDAB	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)c(=O)[nH]c1=O	12545198	LENJKQRKSICAGK-UHFFFAOYSA-N	517.612	1.588	0	40	KDAB	
CN(C)S(=O)(=O)c1cccc(COC(=O)[C@H]2[C@H]3CC[C@@H](C3)N2S(=O)(=O)c2ccc3c(c2)OCCO3)c1	101007764	XDIRGMMRSSHZSD-IUKKYPGJSA-N	536.628	1.993	0	40	KDAB	
COCCN(C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	102956658	YKIJVXKWDBRJSQ-HXUWFJFHSA-N	549.584	1.051	0	40	KDAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1	140751496	XYZOMPCEZFRTOR-MOPGFXCFSA-N	564.644	1.127	0	40	KDAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1S(=O)(=O)N1CCOCC1	223260208	BRNUGYWUNDAXPI-UHFFFAOYSA-N	553.644	1.929	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@]6(O)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@H](O)[C@H]1O	252507338	WHWWQGPCTUQCMN-JDDKMXSSSA-N	738.912	1.505	0	40	KDAB	biogenic,in-vitro
CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@H](OC(C)=O)C[C@]1(O)CC[C@H]1[C@H]2[C@@H](OC(C)=O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O	254414612	LWEDMLOAXCZSBB-WXNPLWJFSA-N	606.665	1.916	0	40	KDAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2C[C@H](C)O[C@H](C)C2)NC(=O)c2ccccc2OCCCNC1=O	643566780	WBTQMIHKSHLLAN-YHELAOLJSA-N	502.612	1.241	0	40	KDAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CC(=O)N2CCC[C@H]2C1=O	643574612	DNSTYXUXNLONDO-FGUUHEIUSA-N	640.741	1.498	0	40	KDAB	
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC)NS(=O)(=O)c2ccc(C)cc2)CCOCCOCC1	4018364	LHEYSHVCIFZJHZ-ROJLCIKYSA-N	740.942	1.855	0	40	KDAB	
COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(=O)N1CCOCC1	13669269	HTELLXRODTZQAD-UHFFFAOYSA-N	509.606	1.169	0	40	KDAB	
CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O	70700922	CHXCMDQKIORBRU-FSSWDIPSSA-N	540.642	1.937	0	40	KDAB	biogenic
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CCOCC1	97990147	SFMQGGPDMYPKEB-UHFFFAOYSA-N	620.659	1.080	0	40	KDAB	
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1cc(F)ccc1F)c(=O)n2Cc1ccccc1	103054422	CUDZQJOMECLINV-UHFFFAOYSA-N	527.484	1.515	0	40	KDAB	
CC1(C)S[C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@@H]1NC(=O)N[C@@H]1N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2SC1(C)C	150379385	QOHBYLZHUZCIDD-RLWUZDICSA-N	660.734	1.655	0	40	KDAB	
COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1	9694769	LBOZWDGIGKUYSM-UHFFFAOYSA-N	512.610	1.211	0	40	KDAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	20031528	YGYWESQGUZMHGH-SFHVURJKSA-N	525.649	1.398	0	40	KDAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1OC	35806916	RSYMITBROVGXDY-WUABMQKPSA-N	526.977	1.586	0	40	KDAB	biogenic
CC(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Sc3ccccc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	150663642	OJVHDCHVHOISBO-UYGMHVKISA-N	728.722	1.398	0	40	KDAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565538	IZCQFHJDSQGIDB-LBNVMWSVSA-N	579.698	1.315	0	40	KDAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643566909	ZGTPGLVEXWGKBX-UIOOFZCWSA-N	574.682	1.463	0	40	KDAB	
COc1ccccc1CN1CCC2(CCOc3ccccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889029	DYZOAEOYJVZCOM-RTWAWAEBSA-N	515.632	1.753	0	40	KDAB	
CC(C)(NC(=O)N1CCC(C(N)=O)CC1)c1cccc(C(C)(C)NC(=O)N2CCC(C(N)=O)CC2)c1	6133879	BMMJMDDPDWDTIA-UHFFFAOYSA-N	500.644	1.971	0	40	KDAB	
COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	8740145	ZXUDXDLNWSRHAE-YPAWHYETSA-N	513.591	1.500	0	40	KDAB	biogenic
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	12644869	NOFVGPKNWJDUJP-DEOSSOPVSA-N	510.528	1.436	0	40	KDAB	
CCN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1	17466376	VTOCMODRXLGAQR-CYBMUJFWSA-N	543.447	1.207	0	40	KDAB	
CCN(C(=O)CSc1nnc(COc2ccccc2F)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	102955771	NUDGDZGPBSXVCR-UHFFFAOYSA-N	540.581	1.336	0	40	KDAB	
C[C@@H]1O[C@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O	253499160	WPVGSIBYLZQSIK-ZJWFJJOWSA-N	536.662	1.429	0	40	KDAB	biogenic
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C=C3[C@H](OC(C)=O)C[C@@]4(O)[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]54O)[C@@]3(C)CC2)[C@@H]1O	253500626	DPFSNFFFCPHBOW-NCTVFTRNSA-N	606.709	1.687	0	40	KDAB	biogenic,in-vitro
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C	253533794	URJQSMIFSMHWSP-NUGKAUEOSA-N	572.765	1.484	0	40	KDAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc2ccccc2C(=O)N1	643565819	KDHOOWHPLQJWJX-BVSLBCMMSA-N	515.655	1.205	0	40	KDAB	
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643567884	BTKHTHLBBKNJNT-DQEYMECFSA-N	592.653	1.070	0	40	KDAB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	6093251	PSUOQPPIQJRCAB-NSHDSACASA-N	522.486	1.173	0	40	KDAB	
CC[C@@H](C)[C@H](C(=O)N1CCOCCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O	39988424	NNTKCANJLUEGJP-NFBKMPQASA-N	506.596	1.623	0	40	KDAB	
CCn1cc(C(=O)N2CCN(C(C)=O)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337562	SSAXNBPCWSTOOA-UHFFFAOYSA-N	509.032	1.372	0	40	KDAB	
O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)NCc1ccccc1	72103063	AGXALDIAFGLCIY-KSSFIOAISA-N	530.386	1.687	0	40	KDAB	
COc1ccccc1-n1c(O)c(C(c2ccncc2)c2c(O)n(-c3ccccc3OC)c(=O)[nH]c2=O)c(=O)[nH]c1=O	98008230	KBDGLDCWBUBBCI-UHFFFAOYSA-N	557.519	1.369	0	40	KDAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	201698331	VJJPUSNTGOMMGY-DBGCVQPRSA-N	588.562	1.339	0	40	KDAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224288621	TUHLLRSIMOFHFS-UHFFFAOYSA-N	511.622	1.441	0	40	KDAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1	225609827	IVBJZSDGXBWJHQ-UHFFFAOYSA-N	511.578	1.845	0	40	KDAB	
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C	245380328	WLYZGKRYLZBQQG-CDNNERCOSA-N	571.675	1.462	0	40	KDAB	
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br	408547903	AQWLXNPRQYYZPA-VZUCSPMQSA-N	506.103	1.829	0	40	KDAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1	3006961	CKFCKWJYBFDTNH-UHFFFAOYSA-N	510.638	1.371	0	40	KDAB	
CCOC(=O)[C@H](O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1	4683266	IKELOMNOWOLYKT-LPDXNUGJSA-N	510.492	1.391	0	40	KDAB	
CC[C@@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1	16050382	NHUFBRORLCGDBJ-NVXWUHKLSA-N	506.668	1.506	0	40	KDAB	
O=C(CSC[C@@H](O)[C@@H](O)CSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2	18284518	HDDCPASALXCSCE-IYBDPMFKSA-N	508.574	1.909	0	40	KDAB	
COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O	22698610	VSCRZXVAXCJLGX-UHFFFAOYSA-N	508.531	1.818	0	40	KDAB	
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c(OC)c1	67903079	URBFANMWRODMRT-IWBXGFBMSA-N	729.688	1.155	0	40	KDAB	biogenic,in-vitro
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(N)=O	79204082	IRZIRGSTEJPVHR-WWPVKYPJSA-N	678.784	1.190	0	40	KDAB	biogenic
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)c(C(F)(F)F)c3Br)[C@H]2SC1	97945448	WSCPUQTYWBJXKL-YMTOWFKASA-N	527.275	1.117	0	40	KDAB	
COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@H](C)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	100023538	VJJPUSNTGOMMGY-IAIVLDBGSA-N	588.562	1.339	0	40	KDAB	in-vitro
C[C@@H]1CN(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)C[C@@H](C)O1	105621150	CSFXNNNPOCCERY-ZJJGVRJWSA-N	537.616	1.327	0	40	KDAB	
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)O2	224324303	DFXUNHAIZFRANG-QFIPXVFZSA-N	523.633	1.502	0	40	KDAB	
O=S(=O)(Cc1cccc(Br)c1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224492869	XRHKKUYBLCLDAN-UHFFFAOYSA-N	519.439	1.968	0	40	KDAB	
CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21	224501401	QMPZFJZJHWJBEU-UHFFFAOYSA-N	541.673	1.851	0	40	KDAB	
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@H]6C[C@@H]7O[C@@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O	253534744	VNONINPVFQTJOC-OEROPHKQSA-N	869.055	1.242	0	40	KDAB	biogenic,in-vitro
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)C(C)(C)n3cncn3)CCO2)ccc1Cl	585285590	LRZBDMSMGULSKO-VWLOTQADSA-N	519.046	1.816	0	40	KDAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)CN(C)CCc2ccccn2)CCCCOC[C@@H](O)[C@H]1O	643551756	LEHCRFVESGGVNM-QALYSUAOSA-N	536.714	1.195	0	40	KDAB	
C[C@@H](O)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569225	OJQUCKKYGJGDCS-MOADCYBESA-N	556.635	1.515	0	40	KDAB	
COCCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643574829	UAZPPQZRMLPTOM-DGPALRBDSA-N	657.768	1.935	0	40	KDAB	
Nc1cccc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)n1	643580902	YBFPRLACGNUPGS-XZOQPEGZSA-N	511.623	1.622	0	40	KDAB	
CC(=O)O[C@H]1CO[C@H](Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5940397	AYHXGRCDXNVITL-SFFNPBHPSA-N	517.495	1.354	0	40	KDAB	
Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	22933528	KYJIQIWIKYIMCN-QFIPXVFZSA-N	507.591	1.197	0	40	KDAB	
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(=O)OC)cc3)c2=O)cc1	35377781	AAYCSYYCGBOYJR-UHFFFAOYSA-N	500.511	1.866	0	40	KDAB	
CC(C)(C)OC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCOc1cccc(C(=O)O)c1	72130493	GXQWMSFJRGMWGC-DEOSSOPVSA-N	641.715	1.671	0	40	KDAB	in-vitro
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1	100277295	CVOKLYCZQMLUER-OZXSUGGESA-N	569.638	1.968	0	40	KDAB	
COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc1cc(N)ccc1N(CC(=O)OC)CC(=O)OC	100359379	VDHJTLKEPCKBAQ-UHFFFAOYSA-N	547.561	1.031	0	40	KDAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](NS(=O)(=O)c3ccc(OC)cc3)C(C)C)CC2)cc1	103019038	YKWHFDDRUIRGSX-HSZRJFAPSA-N	567.686	1.708	0	40	KDAB	
Cn1c(CCCC(=O)N2CCC3(CC2)C[C@@](C)(O)[C@H](n2cnc4c(N)nc(N)nc42)CO3)nc2ccccc21	257231029	GEXMVNIULHBVLH-NIYFSFCBSA-N	533.637	1.974	0	40	KDAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	257623881	XOEUHCONYHZURQ-AAKBMJOTSA-N	751.927	1.878	0	40	KDAB	
C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H](O)CC[C@]43C)[C@]2(C)CC[C@H]1O	514287914	IEDTVFQRYOEXGI-VCYSWGCTSA-N	512.684	1.574	0	40	KDAB	biogenic,in-vitro
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565232	DXOINFPNWLPIGX-XUZZJYLKSA-N	528.581	1.501	0	40	KDAB	
O=C1C[C@@H](C(=O)NCCCn2ccnc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643580262	AKOCDJKIKJSGBN-CPCREDONSA-N	709.804	1.637	0	40	KDAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCO[C@@H](c3cc(O)n(C)n3)C2)c1	643584775	KCCYESDBKLAWSN-AVCJEZOISA-N	689.851	1.745	0	40	KDAB