smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H](C)/C=N/NC(=O)c1ccc(O)cc1	28863484	SZWOXAGXOCIVAM-ITTMYVLYSA-N	220.272	2.154	50	1	BEGF	
Cl[C@@H]1C[C@H](Br)C2=CCO[C@@H]2C1	2356508555	ZLVFPOXMCKFIOH-MHSYXAOVSA-N	237.524	2.476	50	1	BEGF	
C=C(CCCO)[C@@H]1COC2(CCCCC2)OO1	43683228	BICLSROTUNJFPB-LBPRGKRZSA-N	242.315	2.323	50	1	BEGF	
O=C(N/N=C/c1ccccc1)c1cc(Cl)c[nH]1	64539762	KIUHNLCMCKKYOJ-VIZOYTHASA-N	247.685	2.432	50	1	BEGF	
N#C/C(=C\c1cnc[nH]1)C(=O)OC1CCCCC1	1772614143	GPDGWLBFBMJXFR-UXBLZVDNSA-N	245.282	2.193	50	1	BEGF	
NNC(=O)c1cc2c(cn1)sc1ccccc12	26841067	PGTOTULPMOXLNA-UHFFFAOYSA-N	243.291	2.053	50	1	BEGF	
N[C@H](CCl)c1nc2ccc3ncccc3c2[nH]1	587011267	QPRIEQKKLGCYEH-MRVPVSSYSA-N	246.701	2.350	50	1	BEGF	
C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N	13981567	YWXWRCMYHIYBSJ-JTQLQIEISA-N	239.319	2.399	50	1	BEGF	
Cc1ccnc2[nH]c(CBr)nc12	586972347	NDGLWGBKUIOCJG-UHFFFAOYSA-N	226.077	2.161	50	1	BEGF	
C=CC#Cc1ccc(C#CC=CC=O)s1	2356423901	FTPBGNZLXXGRQB-UHFFFAOYSA-N	212.273	2.392	50	1	BEGF	
CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	195410907	IHLZMAMVGXEIGC-LZQZFOIKSA-N	234.295	2.170	50	1	BEGF	
FC(F)(C1N=N1)[C@H](Cl)Br	29553247	VLLPOYNQVHHILJ-SFOWXEAESA-N	219.416	2.373	50	1	BEGF	
Cc1cc(NNC(=O)CCl)nc2ccccc12	27996627	JFBYMWHJXFNYIF-UHFFFAOYSA-N	249.701	2.225	50	1	BEGF	
O=C(N/N=C/Cc1ccccc1)c1ccccn1	5682016	FDKANRWHASRQCL-LFIBNONCSA-N	239.278	2.040	50	1	BEGF	
C=C(C#N)[C@H](O)c1cc(CC)cnc1Cl	40556537	KTILHWUZCZYCFX-JTQLQIEISA-N	222.675	2.411	50	1	BEGF	
N#C/C(=C\c1ccccn1)c1nc2cccnc2[nH]1	40828860	SOAWKHXLKZRVRB-CSKARUKUSA-N	247.261	2.417	50	1	BEGF	
CC(C)=CC(=O)Oc1ccc([N+](=O)[O-])cc1	1613616	UWHFXNUVALKMIU-UHFFFAOYSA-N	221.212	2.466	50	1	BEGF	
CO[C@@H]1O[C@]2(CF)CC[C@H]3CCCC[C@@]31OO2	38153530	NMJYOCBKMCXIQW-DDHJBXDOSA-N	246.278	2.326	50	1	BEGF	
CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)OC(=O)[C@H]12	253484587	IHLZMAMVGXEIGC-OSUNSFLBSA-N	234.295	2.170	50	1	BEGF	
CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	253484588	IHLZMAMVGXEIGC-RNWYCLNJSA-N	234.295	2.170	50	1	BEGF	
CCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1	3814213	LXLRTTHROGSMBS-UHFFFAOYSA-N	238.243	2.483	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1c1ccc(Cl)cn1	64437744	ZPKKOJLUUAEVOV-UHFFFAOYSA-N	245.669	2.435	50	1	BEGF	
O/N=C/C1=CC=C(/C=N/O)SS1	21766	PKWBGUKZOSMOIJ-FCXRPNKRSA-N	202.260	2.069	50	1	BEGF	
COc1cc2nc([C@H](N)CCl)[nH]c2cc1C	587010519	LEOHIQGZCARQNQ-SSDOTTSWSA-N	239.706	2.119	50	1	BEGF	
CSCSSC[S@](C)=O	13378334	VPVZUGOYFPCRCQ-SECBINFHSA-N	202.391	2.024	50	1	BEGF	biogenic
COc1cc(O)c2c(c1)[C@@H](Cl)[C@@H](C)OC2=O	13459812	HRWTZNIONMJBRK-FWOIEVBISA-N	242.658	2.240	50	1	BEGF	biogenic
Cc1ccc(C)c2[nH]c([C@H](N)CCl)nc12	587012007	WBQVOHFULAMZLE-MRVPVSSYSA-N	223.707	2.418	50	1	BEGF	
CC(=O)c1ccc2nc([C@H](N)CCl)[nH]c2c1	587012519	YHDKFMGVDFUGAV-MRVPVSSYSA-N	237.690	2.004	50	1	BEGF	
C=C(CCCO)[C@H]1COC2(CCCCC2)OO1	43683230	BICLSROTUNJFPB-GFCCVEGCSA-N	242.315	2.323	50	1	BEGF	
C=CCSSC/C=C/[S@@](C)=O	33978746	LHHYEJCLCDLZBV-ZPMKCOPCSA-N	208.373	2.446	50	1	BEGF	
CC(=O)OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	115864693	ZPOWYPZRKUPXRH-NXEZZACHSA-N	210.273	2.315	50	1	BEGF	
C[C@@H]1C=C(C=O)C(C=O)=C[C@]2(O)CC(C)(C)C[C@H]12	1997370	ABDLNDXNWOFSAT-YVLXSGLVSA-N	248.322	2.054	50	1	BEGF	biogenic
COc1ccc2[nH]cc(C=CC=O)c2c1	2356484257	ONSRRKPJZKYJJU-UHFFFAOYSA-N	201.225	2.389	50	1	BEGF	
C1CCC(C2OOCCCOO2)CC1	43273843	OUHNIZRAWNMJDW-UHFFFAOYSA-N	202.250	2.193	50	1	BEGF	
C[C@H](Br)c1nc2cccnc2[nH]1	587007590	ARYILTBVGJNZHJ-YFKPBYRVSA-N	226.077	2.414	50	1	BEGF	
C[C@H]1CCC[C@@]2(C1)C[C@@](C)(CCO)OO2	44418508	HTHVOCNQVSIUPB-QJPTWQEYSA-N	214.305	2.428	50	1	BEGF	
CC12CCC3(CCC#N)[C@](C)(OO[C@@]3(C)O1)O2	95556288	BHRHYSYVMOLMPV-WSVSKBAQSA-N	239.271	2.228	50	1	BEGF	
CC=CC#CC#CC#C[C@@H]1[C@@H](Cl)[C@H]1COC	2356601270	PTJMURWWHKKZJF-MELADBBJSA-N	232.710	2.073	50	1	BEGF	
C[C@@H]1Nc2ccccc2N[C@H]1C=C(C#N)C#N	1622969	QCGCVKUZGQLQCR-ZANVPECISA-N	224.267	2.255	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1[C@H]1C[C@H]2CC[C@@H]1C2	64574079	MDEOLCVQZSSTKB-LOWVWBTDSA-N	228.295	2.371	50	1	BEGF	
Cl[C@H]1C[C@@H]2OCC=C2[C@H](Br)C1	2356508557	ZLVFPOXMCKFIOH-NJUXHZRNSA-N	237.524	2.476	50	1	BEGF	
CC1(C)[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(C=O)CC[C@H]21	2356469605	UOBZWMPWXPIGBV-CXTNEJHOSA-N	248.322	2.294	50	1	BEGF	
CCCCC[C@]1(OC)CC[C@H](CC(=O)O)OO1	43379826	FMBJHARNHJNVLJ-ZYHUDNBSSA-N	246.303	2.495	50	1	BEGF	
CCCCC[C@@H](O)/C=C/C#CC#C/C=C/C=O	14502319	DKHGWZAGTJTORV-KZLMLFTGSA-N	230.307	2.246	50	1	BEGF	
CC(C=O)=C1C(=O)C[C@@]1(C)[C@@H]1CC(C)(C)CC1=O	2356854363	RNWUCASUYIJNMB-BMIGLBTASA-N	248.322	2.486	50	1	BEGF	
CSCSSc1cccc[n+]1[O-]	43068596	MUHWXZGNCHKLDY-UHFFFAOYSA-N	219.356	2.381	50	1	BEGF	
O=NN(CCCl)C(=O)N[C@H]1C=CCCC1	5133552	QRKPIRZTUBAFCF-QMMMGPOBSA-N	231.683	2.027	50	1	BEGF	
N#C/C(=C/c1ccccc1)c1nc2cnncc2[nH]1	587188051	NZUKBKLCQOSCQI-WDZFZDKYSA-N	247.261	2.417	50	1	BEGF	
CC(C)=CCC[C@@H](C)C/C=N\NC(N)=O	219674348	VSSPMICKPHHIES-GARZTLJTSA-N	211.309	2.413	50	1	BEGF	
O=CC=CC#CC#CC=CC=CCCCCCO	2356401027	RBBXQZDMGRGAFJ-UHFFFAOYSA-N	242.318	2.413	50	1	BEGF	
CC/C=C\C[C@H]1C(=O)C(C#N)=C[C@@H]1CC(=O)OC	101682461	MWQIYELTOPSEOL-ZHLVKLTDSA-N	247.294	2.171	50	1	BEGF	
C=C/C(C)=N/NC(=O)c1ccc(F)cc1	103293463	KDYAHNFDHDACHZ-MDWZMJQESA-N	206.220	2.117	50	1	BEGF	
Oc1cccc2nc(CBr)[nH]c12	586972460	RXQVWZKWHZWICK-UHFFFAOYSA-N	227.061	2.163	50	1	BEGF	
CC1(C)[C@H](O)CC[C@@]2(C)C[C@@H]3C=C[C@]12OO3	43938773	GJIMAPYWZKTGNB-LFSVMHDDSA-N	224.300	2.203	50	1	BEGF	
C=C(C=O)[C@@H]1[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H]1C=O)C2(C)C	238734626	KVEHDOQHKIFXDS-WHRXGGIHSA-N	248.322	2.008	50	1	BEGF	
Nc1ccnc2[nH]c([C@@H](Cl)CCl)nc12	587008699	QQJGKRUDYDATMG-BYPYZUCNSA-N	231.086	2.059	50	1	BEGF	
CCC/C=C1/OC(=O)C2=C1CC[C@@H](O)[C@@H]2Cl	13380513	QHFASJHNXWAWLY-XGAIZFGOSA-N	242.702	2.286	50	1	BEGF	biogenic,in-vitro
CC(C)=NNC(=O)Nc1ccc([N+](=O)[O-])cc1	34062938	XBOWKFFJMDFKOW-UHFFFAOYSA-N	236.231	2.112	50	1	BEGF	
C[C@H](O)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C	2356696695	MHYJCJBCANXJND-DCAQKATOSA-N	248.439	2.386	50	1	BEGF	
Cc1cc2nc([C@H](N)CCl)[nH]c2cc1C	587010894	NZXALSVERIBCRC-MRVPVSSYSA-N	223.707	2.418	50	1	BEGF	
CO[C@@H]1O[C@@]2(C)CC[C@H]3CCCC[C@]31OO2	43845610	JNHCSROJNLHADZ-KKOKHZNYSA-N	228.288	2.376	50	1	BEGF	
CC1(C)[C@H]2/C=C(/C=O)CC[C@H]3O[C@@]3(C=O)CC[C@H]21	207010738	UOBZWMPWXPIGBV-PWTOKBEUSA-N	248.322	2.294	50	1	BEGF	
CCCC=C1OC(=O)C2=C1CC[C@H](O)[C@@H]2Cl	2356651521	QHFASJHNXWAWLY-KWQFWETISA-N	242.702	2.286	50	1	BEGF	
C=C(C)[C@H](OO)[C@@H]1[C@H](COC(C)=O)C1(C)C	2356718681	CEQHLAVWIQXFHI-DCAQKATOSA-N	228.288	2.256	50	1	BEGF	
C[C@]12CCC[C@H](Cl)[C@@]1(O)C[C@H](C(=O)O)CC2	5812720	GHQBJDKDNJSWFB-DMWPJOQESA-N	246.734	2.400	50	1	BEGF	
C[C@@H](CO)CCOc1ccc(/C=C/C=O)cc1	14504847	JAJOZKSFIGKKGT-QAVQXKDTSA-N	234.295	2.296	50	1	BEGF	
CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N	13981565	VCANIUOBHBAPJH-LBPRGKRZSA-N	247.298	2.062	50	1	BEGF	
COc1cc(O)c2c(c1)[C@H](Cl)[C@H](C)OC2=O	13459818	HRWTZNIONMJBRK-XUOSJQGZSA-N	242.658	2.240	50	1	BEGF	biogenic
CC/C(=N/NC(N)=O)[C@H](C)CC=C(C)C	40863468	MCBUGSCYFMVYBK-BLKPKJALSA-N	211.309	2.413	50	1	BEGF	
CCCC[S@@](=O)CCCCN=C=S	96922879	WJYGVJJHEVMGBN-ZDUSSCGKSA-N	219.375	2.418	50	1	BEGF	
CN(CCCl)[C@H]1CCc2cc(O)ccc2C1	29556837	SBYUTULXARFVAV-LBPRGKRZSA-N	239.746	2.420	50	1	BEGF	
CC/C=C\C[C@@H]1C(=O)C(C#N)=C[C@@H]1CC(=O)OC	40391804	MWQIYELTOPSEOL-SFLCEZBHSA-N	247.294	2.171	50	1	BEGF	
C=C(C)[C@H]1C[C@H]2OO[C@@H]1C(OC(C)=O)=C2C	103287457	SJYNFEXOOFNDQP-FOGDFJRCSA-N	224.256	2.119	50	1	BEGF	
OC12C[C@H]3C[C@@H](C1)CC(N=C=S)(C3)C2	45389541	BDOVZNVLJFTWKB-IXBNRNDTSA-N	209.314	2.173	50	1	BEGF	
CO[C@@H]1O[C@]2(C)CC[C@H]3CCCC[C@]31OO2	101266686	JNHCSROJNLHADZ-WYUUTHIRSA-N	228.288	2.376	50	1	BEGF	
C=CC#Cc1ccc(C#C/C=C/C=O)s1	13380427	FTPBGNZLXXGRQB-GQCTYLIASA-N	212.273	2.392	50	1	BEGF	
N#C/C(=C/c1ccccc1)c1nc2cncnc2[nH]1	587187488	IARIAZNVFNPNJI-WDZFZDKYSA-N	247.261	2.417	50	1	BEGF	
C[C@H]1CC[C@H](NC(=O)N(CCF)N=O)CC1	299846658	JHSQNRZJTAOPRU-KYZUINATSA-N	231.271	2.228	50	1	BEGF	
C[P@@]1(=O)O[C@H](CCl)C[C@H](CCl)O1	299847841	HBDDJBCRCOKUOU-WBJSUWOBSA-N	233.031	2.461	50	1	BEGF	
COc1cccc2nc(CBr)[nH]c12	586972067	FFNZOHPTJQMTKB-UHFFFAOYSA-N	241.088	2.466	50	1	BEGF	
CCCCC[C@H](O)C=CC#CC#CC=CC=O	2356544128	DKHGWZAGTJTORV-HNNXBMFYSA-N	230.307	2.246	50	1	BEGF	
CC(C)=NNC(=O)c1nc(C(C)C)cs1	45260825	RGQPCKPCRNPSLN-UHFFFAOYSA-N	225.317	2.392	50	1	BEGF	
CC1(C)[C@@H]2C=C(C=O)CC[C@@H]3O[C@@]3(C=O)CC[C@H]21	2356469606	UOBZWMPWXPIGBV-GUIRCDHDSA-N	248.322	2.294	50	1	BEGF	
C=C(CC[C@@H](O)C(=C)C)[C@H]1COC(C)(C)OO1	42784660	BLEJYCHZDKNWBT-VXGBXAGGSA-N	242.315	2.343	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@]2(C)C[C@@H]3CC[C@@]12OO3	101193069	LYOJMOXGTZZPFW-YRRQLQLVSA-N	226.316	2.427	50	1	BEGF	
CC(=O)C(C)=CC=CC=CC1=C(C)C(=O)OC1=O	2356708824	DPZNQXPHRMGJIG-UHFFFAOYSA-N	246.262	2.034	50	1	BEGF	
CCC(=O)Nc1nc(CN=C=S)cs1	27298485	ITCWBWIPRCHGHX-UHFFFAOYSA-N	227.314	2.094	50	1	BEGF	
CC#Cc1ccc(C#CC#C[C@@H](Cl)CO)s1	14680552	IMSAQZRRHRRYTP-LLVKDONJSA-N	248.734	2.074	50	1	BEGF	
Cc1ccc2c(c1)C=C(C(=O)Cl)C(=O)C2	27192861	QVOYZXHTFPOKJV-UHFFFAOYSA-N	220.655	2.269	50	1	BEGF	
N#C/C(=C/Sc1ccccc1)C(=O)O	1613331	YVQBZIVOOVECGT-FPLPWBNLSA-N	205.238	2.271	50	1	BEGF	
C=C1[C@H](C)CC[C@]2(C)[C@@H]1CC=C(C=O)[C@]2(O)C=O	5493042	LDAIOVKPAKFZHM-JUDXGUMMSA-N	248.322	2.054	50	1	BEGF	biogenic
COc1ccc2nc(/C(N)=C\C#N)ccc2c1	13216180	KHALSODSJYZRDR-IZZDOVSWSA-N	225.251	2.067	50	1	BEGF	
Cc1ccc2nc(CBr)[nH]c2n1	586972335	MPVVGAJHAQWYCY-UHFFFAOYSA-N	226.077	2.161	50	1	BEGF	
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=O	13303502	RIKWDZWVHUIUAM-SQGBXOFWSA-N	248.322	2.364	50	1	BEGF	in-vitro
C=C1[C@@H]2CC=C(C=O)[C@](O)(C=O)[C@]2(C)CC[C@H]1C	238749382	LDAIOVKPAKFZHM-AQNFWKISSA-N	248.322	2.054	50	1	BEGF	
C=C(C)[C@H](OO)[C@H]1[C@@H](COC(C)=O)C1(C)C	238734904	CEQHLAVWIQXFHI-MXWKQRLJSA-N	228.288	2.256	50	1	BEGF	
CC=C[C@@H](O)[C@@H]1C=Cc2cccc(O)c2COO1	2356550396	FEBWDEBUAVAUDH-KGLIPLIRSA-N	248.278	2.173	50	1	BEGF	
CC1CCC(=NNC(=O)Cc2cccn2C)CC1	5603130	RUNCWIJMJGUJAB-UHFFFAOYSA-N	247.342	2.250	50	3	BEGF	
CO/N=C/C1=CC=C(/C=N/OC)SS1	2002001	BYHHUHYNDNXHJO-NXZHAISVSA-N	230.314	2.414	50	1	BEGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CCl)O2	587373487	DONSAWCXTSHWMA-SSDOTTSWSA-N	225.675	2.150	50	1	BEGF	
CC=C[C@H](O)[C@H]1C=Cc2cccc(O)c2COO1	2356550397	FEBWDEBUAVAUDH-UONOGXRCSA-N	248.278	2.173	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1[C@@H]1C[C@@H]2CC[C@@H]1C2	101736711	MDEOLCVQZSSTKB-NQBHXWOUSA-N	228.295	2.371	50	1	BEGF	
C=C1C(=O)O[C@H]2[C@H]1CCC(C=O)=C1CC=C(C)[C@@H]12	14619560	CDWIZINAAVFHAS-UBHSHLNASA-N	244.290	2.340	50	1	BEGF	
CC(C=CC1=C(C)C(=O)[C@H](O)CC1(C)C)=CC=O	2356720699	GXLJMSJMXSSYQD-CYBMUJFWSA-N	248.322	2.364	50	1	BEGF	
C[P@@](=O)(c1ccccc1)c1ccc(O)cc1	136991527	YOPXHFOSEDBETP-MRXNPFEDSA-N	232.219	2.336	50	1	BEGF	
CC(C=O)=CC=C[C@@]1(C)CC[C@H](C(C)(C)O)O1	2356394363	AHFPSTAAKRDXFK-OCCSQVGLSA-N	238.327	2.396	50	1	BEGF	
Oc1ccc2nc(CBr)[nH]c2c1	586972257	KYLRNGOLIJHPAK-UHFFFAOYSA-N	227.061	2.163	50	1	BEGF	
C=C(C#N)[C@@H](O)c1cc(CC)cnc1Cl	40556536	KTILHWUZCZYCFX-SNVBAGLBSA-N	222.675	2.411	50	1	BEGF	
CCCCNNC(=O)c1ccc(Cl)cc1	146529205	SOFXANVWFFBJSR-UHFFFAOYSA-N	226.707	2.375	50	1	BEGF	
CCCCC[C@@]1(OC)CC[C@H](CC(=O)O)OO1	43379828	FMBJHARNHJNVLJ-PWSUYJOCSA-N	246.303	2.495	50	1	BEGF	
C/C=C/C=C/C(=O)N/N=C/c1ccccc1	53296659	IFFKKMHXEXDDIZ-BOWJWROISA-N	214.268	2.269	50	1	BEGF	
NNC(=O)/C=C/c1ccc(-c2ccccc2)cc1	473120494	DGUXGBQRBYBUOV-DHZHZOJOSA-N	238.290	2.357	50	1	BEGF	
CCCCC[C@@H](O)C=CC#CC#CC=CC=O	2356544129	DKHGWZAGTJTORV-OAHLLOKOSA-N	230.307	2.246	50	1	BEGF	
CC(C)[C@@H]1[C@@H]2C[C@@]3(C)C(C=O)=CC[C@H]3[C@H]1C(=O)O2	201780218	VUUDJWFHCPXMBE-WHPHWUKISA-N	248.322	2.355	50	1	BEGF	
O=CC=CC=CCC=CCCCC(=O)O	2356421229	ZRIOISYGDYRQIK-UHFFFAOYSA-N	208.257	2.499	50	1	BEGF	
C=C(C=O)[C@H]1CCC(C)=C2C(=O)C=C(C)[C@]2(O)C1	2356743335	UAVZAAKPJIWGKU-SWLSCSKDSA-N	246.306	2.118	50	1	BEGF	
CC(C)[C@@H]1[C@H]2C[C@@]3(C)C(C=O)=CC[C@@H]3[C@H]1C(=O)O2	2356561240	VUUDJWFHCPXMBE-HVNMYJMUSA-N	248.322	2.355	50	1	BEGF	
CC(C)(C)OC(=O)/N=N/C(=O)NCCCl	28948512	NGVRZUMPWXKTPI-VAWYXSNFSA-N	235.671	2.322	50	1	BEGF	
C1COOC2(OOC1)C1CC3CC(C1)CC2C3	43274089	IZFGHMIHSCLMCZ-UHFFFAOYSA-N	240.299	2.439	50	1	BEGF	
CC[C@H](SS[C@H](CC)C(=O)O)C(=O)O	59285015	YPISROXAISJWDA-OLQVQODUSA-N	238.330	2.094	50	1	BEGF	
CC(C)[S@](=O)CCCCN=C=S	96922882	BAXOKRWCEZXWMX-LBPRGKRZSA-N	205.348	2.027	50	1	BEGF	
FC(F)(C1N=N1)[C@@H](Cl)Br	29553243	VLLPOYNQVHHILJ-PVQJCKRUSA-N	219.416	2.373	50	1	BEGF	
CC1(C)[C@H](O)CC[C@@]2(C)C[C@@H]3CC[C@@]12OO3	101193066	LYOJMOXGTZZPFW-JULQROHOSA-N	226.316	2.427	50	1	BEGF	
O=C(NN/C=C1/C=CC=N1)c1ccc(Cl)cc1	13126823	YXBDIJRPZPHESQ-FLIBITNWSA-N	247.685	2.056	50	3	BEGF	
COc1cc(O)c2c(c1)[C@H](Cl)[C@@H](C)OC2=O	13459816	HRWTZNIONMJBRK-GPXNAGAYSA-N	242.658	2.240	50	1	BEGF	biogenic
CC1(C)[C@H]2/C=C(\C=O)CC[C@H]3O[C@]3(C=O)CC[C@H]21	169356791	UOBZWMPWXPIGBV-RIKHKFDZSA-N	248.322	2.294	50	1	BEGF	
N[C@H](CCl)c1nc2cccc(Cl)c2[nH]1	587010426	KHBSYFQOCMLYSR-ZCFIWIBFSA-N	230.098	2.455	50	1	BEGF	
CCSSC(=S)N1CCOCC1	169323026	SPDGPZLRGFIWLW-UHFFFAOYSA-N	223.388	2.005	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@@]2(C)C[C@@H]3CC[C@]12OO3	253694996	LYOJMOXGTZZPFW-UKJIMTQDSA-N	226.316	2.427	50	1	BEGF	
CCO[C@H](C)OCC#CCCBr	5839938	UEMPDGMNEICTBQ-VIFPVBQESA-N	235.121	2.174	50	1	BEGF	
CC1=C[C@H](O)C([C@H](C)CC/C=C(\C)C=O)=CC1=O	14496356	UZLYFZDXWGWUGA-RAXPMSKZSA-N	248.322	2.364	50	1	BEGF	endogenous,in-man
C=CCSSC=CC[S@](C)=O	2356399723	FPQGSXSLZNUUFB-NSHDSACASA-N	208.373	2.446	50	1	BEGF	
C=C(C)[C@@H](O)CCC(=C)[C@@H]1COC(C)(C)OO1	42784659	BLEJYCHZDKNWBT-RYUDHWBXSA-N	242.315	2.343	50	1	BEGF	
CC1(C)[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(C=O)CC[C@@H]21	2356469608	UOBZWMPWXPIGBV-XFMPKHEZSA-N	248.322	2.294	50	1	BEGF	
O=C[C@@H](Cl)[C@H]1NCCc2cc(Cl)ccc21	963391060	PGIIXVKJTUNELI-MNOVXSKESA-N	244.121	2.333	50	1	BEGF	
CC(C=O)=CCC[C@@H](C)C1=CC(=O)C(C)=C[C@@H]1O	2356398536	UZLYFZDXWGWUGA-ABAIWWIYSA-N	248.322	2.364	50	1	BEGF	
C=C(C=O)[C@H]1CCC(C)=C2C(=O)C=C(C)[C@@]2(O)C1	2356743336	UAVZAAKPJIWGKU-WFASDCNBSA-N	246.306	2.118	50	1	BEGF	
O=NN(CCCl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2	17355267	VGFFLHYAQABHTR-DJLDLDEBSA-N	245.710	2.107	50	1	BEGF	
C[C@@]12CC[C@@]3(CCC#N)[C@](C)(OO[C@@]3(C)O1)O2	254091667	BHRHYSYVMOLMPV-NEBACSHRSA-N	239.271	2.228	50	1	BEGF	
N[C@H](CCl)c1nc2ccc(Cl)cc2[nH]1	587010645	MCMFGYFAWYMHQP-ZCFIWIBFSA-N	230.098	2.455	50	1	BEGF	
CP1(=O)O[C@H](CCl)C[C@@H](CCl)O1	169341843	HBDDJBCRCOKUOU-WDSKDSINSA-N	233.031	2.461	50	1	BEGF	
N[C@H](CCl)c1nc2cnc3ccccc3c2[nH]1	587011008	PVIZJCIZOHKPQV-MRVPVSSYSA-N	246.701	2.350	50	1	BEGF	
CC1(C)C[C@@H](CCBr)C(=O)O1	64634076	MNAISORFCPZIGZ-ZCFIWIBFSA-N	221.094	2.113	50	1	BEGF	in-vitro
COc1cc(CC/C=C/C=O)ccc1O	85648368	NJDMKYLEPGXOIO-DUXPYHPUSA-N	206.241	2.089	50	1	BEGF	biogenic,in-vitro
O=C[C@@H](Cl)[C@@H]1NCCc2cc(Cl)ccc21	963391059	PGIIXVKJTUNELI-GHMZBOCLSA-N	244.121	2.333	50	1	BEGF	
CC[C@@H](C)C1=C(c2ccc(O)cc2)C(=O)OC1=O	2356788389	WXPZEPUXWIIWJB-MRVPVSSYSA-N	246.262	2.275	50	1	BEGF	
CC=CC#CC#CC#C[C@@H]1[C@H](Cl)[C@H]1COC	2356601269	PTJMURWWHKKZJF-IHRRRGAJSA-N	232.710	2.073	50	1	BEGF	
CC1(C)COP(=O)([C@@](C)(O)CCl)OC1	103235367	UYGGJMUNHBNMTP-MRVPVSSYSA-N	242.639	2.200	50	1	BEGF	
CC(=O)C/C(C)=N/NC(=O)Nc1ccc(C)cc1	103172901	YIMQHHYBCVZARZ-XNTDXEJSSA-N	247.298	2.472	50	1	BEGF	
CC1(C)[C@@H]2C=C(C=O)CC[C@@H]3O[C@@]3(C=O)CC[C@@H]21	2356469607	UOBZWMPWXPIGBV-SFDCQRBFSA-N	248.322	2.294	50	1	BEGF	
CCC[S@@](=O)CCCCN=C=S	96922877	KLMPBPKOIXQKHU-LBPRGKRZSA-N	205.348	2.028	50	1	BEGF	
CC(C)[S@@](=O)CCCCCN=C=S	96922909	OANDHRUUMWSNFR-CYBMUJFWSA-N	219.375	2.417	50	1	BEGF	
CC(C=O)=C1C(=O)C[C@]1(C)[C@@H]1CC(C)(C)CC1=O	2356854365	RNWUCASUYIJNMB-MEBBXXQBSA-N	248.322	2.486	50	1	BEGF	
CC(=O)N/N=C/c1cc(C(C)(C)C)ccc1O	28565333	YJEUDWDONMZJBH-RIYZIHGNSA-N	234.299	2.160	50	1	BEGF	
CO[C@@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2	169314440	OXIYTJNOZQXQDD-UMSGYPCISA-N	242.315	2.360	50	1	BEGF	
O=C(Cl)c1cccc(OCCl)n1	12359243	MGZPYFCPDIMVTD-UHFFFAOYSA-N	206.028	2.036	50	1	BEGF	
O=C(NCBr)c1ccc(Cl)cc1	1857767595	CUKDWLCWKNRWQD-UHFFFAOYSA-N	248.507	2.422	50	1	BEGF	
C/C(C=O)=C\c1c(C=O)cc(C)c(CCO)c1C	13413460	QQQDFWJDGZDCQP-UXBLZVDNSA-N	246.306	2.253	50	1	BEGF	
C=C1CC[C@@H]2[C@@H](C=C(C=O)CCC1=O)[C@@]2(C)CO	2356727329	DSSKHUXSDPLUFL-NFAWXSAZSA-N	248.322	2.056	50	1	BEGF	
Cc1ccc2c(c1)N/C(=C(\C#N)N=O)N2	104031495	WPGNUVFHNFLKCX-MDZDMXLPSA-N	200.201	2.292	50	3	BEGF	
OC12C[C@H]3C[C@H](C1)CC(N=C=S)(C3)C2	101982771	BDOVZNVLJFTWKB-SAAXCQNUSA-N	209.314	2.173	50	1	BEGF	
N#CSCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	169332073	JBPCXNDEPCTEEQ-UHFFFAOYSA-N	239.212	2.217	50	1	BEGF	
O=C1O[C@H](C#CCCl)Cc2ccccc21	103279618	HIULLKVUQCDVBL-SNVBAGLBSA-N	220.655	2.010	50	1	BEGF	
CC=CC=CCC[C@@H]1NCC[C@H](Cl)[C@H]1O	2356790911	GEGGODVKMZQIOL-SDDRHHMPSA-N	229.751	2.229	50	1	BEGF	
COn1cc(CN=C=S)c2ccccc21	34247484	FLURSKCCKANNKS-UHFFFAOYSA-N	218.281	2.303	50	1	BEGF	endogenous,in-man
CC1(C)[C@H](O)CC[C@]2(C)C[C@@H]3C=C[C@]12OO3	43938777	GJIMAPYWZKTGNB-YGNMPJRFSA-N	224.300	2.203	50	1	BEGF	
CCCCC[C@@]1(OC)CC[C@@H](CC(=O)O)OO1	43379831	FMBJHARNHJNVLJ-JQWIXIFHSA-N	246.303	2.495	50	1	BEGF	
C=C(C#N)[C@H](O)c1cc(C)cnc1Cl	40548306	QLAXXIGEJNGORS-VIFPVBQESA-N	208.648	2.157	50	1	BEGF	
CC(C)C[S@](=O)CCCCN=C=S	96922884	PWZIGQBKOZNVPS-ZDUSSCGKSA-N	219.375	2.274	50	1	BEGF	
CC(C)[C@@H]1CC[C@@H]2C=C(C=O)[C@H]1[C@H]2CO	238737028	AHRZQDHJIUYION-LPTSXCQYSA-N	208.301	2.032	50	1	BEGF	
Nc1ccnc2[nH]c([C@H](Cl)CCl)nc12	587008703	QQJGKRUDYDATMG-SCSAIBSYSA-N	231.086	2.059	50	1	BEGF	
C=C1[C@@H](C)CC[C@]2(C)C=C(C=O)[C@@H](O)C[C@@H]12	38587692	ZZDVLDJXXQZPTF-NZPIUUIZSA-N	220.312	2.485	50	1	BEGF	
CSCS[S@@](=O)CSC	13378336	OLGUWIFTRJBTOD-VIFPVBQESA-N	202.391	2.024	50	1	BEGF	biogenic
N#Cc1ccc2nc(CBr)[nH]c2c1	586972447	RLOIRZQRJVDOLZ-UHFFFAOYSA-N	236.072	2.329	50	1	BEGF	
C[C@@H]1[C@H]2O[C@H]3CC(=CC=O)[C@@H](C)[C@](C)(C2=O)[C@]31C	2356673289	FOASRDYNANTUAV-DYCBXVLNSA-N	248.322	2.150	50	1	BEGF	
CC1(C)[C@H](O)CC[C@]2(C)C[C@H]3C=C[C@]12OO3	194983535	GJIMAPYWZKTGNB-WFFHOREQSA-N	224.300	2.203	50	1	BEGF	
CO[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@]1(O)OO2	43101200	OXIYTJNOZQXQDD-RNJOBUHISA-N	242.315	2.360	50	1	BEGF	
COc1cc(CCC=CC=O)ccc1O	2356526850	NJDMKYLEPGXOIO-UHFFFAOYSA-N	206.241	2.089	50	1	BEGF	
CCC/C=C/C=N/NC(=O)c1ccncc1	45283458	DGWGOFAOVAFLLG-DLBFRJOTSA-N	217.272	2.154	50	1	BEGF	
COc1nccc2nc([C@@H](Cl)CCl)[nH]c12	587007333	CFDNKMJFINPHBN-YFKPBYRVSA-N	246.097	2.485	50	1	BEGF	
CCCC[S@](=O)CCCCN=C=S	96922880	WJYGVJJHEVMGBN-CYBMUJFWSA-N	219.375	2.418	50	1	BEGF	
CN1CCCC[C@@H]1C1CSSC1	103280557	FVJLBIAIHJAXPA-SECBINFHSA-N	203.376	2.482	50	1	BEGF	
CO[C@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2	169314446	OXIYTJNOZQXQDD-RVMXOQNASA-N	242.315	2.360	50	1	BEGF	
CC=C[C@H](O)[C@@H]1C=Cc2cccc(O)c2COO1	2356550393	FEBWDEBUAVAUDH-KBPBESRZSA-N	248.278	2.173	50	1	BEGF	
BrC/C=C/c1nc2cccnc2[nH]1	586972950	CZNIOABKANMOOM-DAFODLJHSA-N	238.088	2.366	50	1	BEGF	
CC(=O)C=Cc1cc(C=CC=O)ccc1O	2356655113	YGDHGTJERWVRJC-UHFFFAOYSA-N	216.236	2.207	50	1	BEGF	
CO[C@H]1O[C@]2(CF)CC[C@H]3CCCC[C@@]13OO2	101347520	NMJYOCBKMCXIQW-KXNHARMFSA-N	246.278	2.326	50	1	BEGF	
O=C1CCC2(CC1)OOC1(CCCCC1)O2	43470172	GEWIRNPCVKWKGK-UHFFFAOYSA-N	226.272	2.465	50	1	BEGF	
C=CC[S@@](=O)C/C=C\SSC	33830680	AHJWMSQZOWKKJQ-WYGGZMRJSA-N	208.373	2.446	50	1	BEGF	biogenic,in-vitro
CC/C=C\C[C@@H]1C(=O)C(C#N)=C[C@H]1CC(=O)OC	40391800	MWQIYELTOPSEOL-CKUGJSDZSA-N	247.294	2.171	50	1	BEGF	
Cc1cc2[nH]c(CBr)nc2c(C)n1	586972106	GPATVPYADIOGPQ-UHFFFAOYSA-N	240.104	2.470	50	1	BEGF	
Cc1ccc(-c2nnn(CCCCl)n2)cc1	1857635349	UOMHNMRMLIGOEK-UHFFFAOYSA-N	236.706	2.277	50	1	BEGF	
C[C@H]1CCCC[C@H]1NC(=O)N(CCCl)N=O	169347863	GRGUGSLFQHEMGO-DTWKUNHWSA-N	247.726	2.497	50	1	BEGF	
CCCC=C1OC(=O)C2=C1CC[C@@H](O)[C@H]2Cl	2356651522	QHFASJHNXWAWLY-LDYMZIIASA-N	242.702	2.286	50	1	BEGF	
C[C@H](NNC(=O)c1ccncc1)c1ccccc1	1856520	BNFYDDNWBRYWHT-NSHDSACASA-N	241.294	2.077	50	1	BEGF	
CC#CC#Cc1ccc(C#C[C@H](Cl)CO)s1	14639389	OIMRGFPTZIUKNX-NSHDSACASA-N	248.734	2.074	50	1	BEGF	
CCO[Si](CCCN=O)(OCC)OCC	196472723	VXZMUTNSHWBROE-UHFFFAOYSA-N	235.356	2.191	50	1	BEGF	
CC(C)[C@H]1CC[C@H]2C=C(C=O)[C@H]1[C@@H]2CO	2356427424	AHRZQDHJIUYION-WKSBVSIWSA-N	208.301	2.032	50	1	BEGF	
CN1C=CN(COCCCCCl)C1=CN=O	1857535335	UCFYRHSICPROPO-UHFFFAOYSA-N	245.710	2.263	50	1	BEGF	
C[C@@H]1CCC[C@@]2(C1)C[C@@](C)(CCO)OO2	44418504	HTHVOCNQVSIUPB-IJLUTSLNSA-N	214.305	2.428	50	1	BEGF	
O=C(Cl)c1ccc2occc(=O)c2c1	169315174	FDNJBRJSASWHMA-UHFFFAOYSA-N	208.600	2.172	50	1	BEGF	
CC[C@H](C)C1=C(c2ccc(O)cc2)C(=O)OC1=O	2356788390	WXPZEPUXWIIWJB-QMMMGPOBSA-N	246.262	2.275	50	1	BEGF	
CCCCSC1=C(C#N)C(=O)NCS1	6720949	STLSQPPOJPXMPB-UHFFFAOYSA-N	228.342	2.075	50	1	BEGF	
C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CC=C(C=O)[C@H]21	238764934	BCKGVLDSIHXXML-XUXIUFHCSA-N	244.290	2.196	50	1	BEGF	
C[C@@H]1C(=CC=O)C[C@@H]2O[C@H]3C(=O)[C@]1(C)[C@@]2(C)[C@H]3C	2356673290	FOASRDYNANTUAV-HWFUVBANSA-N	248.322	2.150	50	1	BEGF	
C/C(C=O)=C1\C(=O)C[C@]1(C)[C@H]1CC(C)(C)CC1=O	34773301	RNWUCASUYIJNMB-KHPIQFKPSA-N	248.322	2.486	50	1	BEGF	
O=C(N/N=C/c1ccccc1)Nc1ccncc1	38418191	AZVZKBWWICYDKQ-XNTDXEJSSA-N	240.266	2.237	50	1	BEGF	
CC[C@@H](C)SN1C[C@H](CCl)OC1=O	40763449	JYKPONOQVDZBOS-RQJHMYQMSA-N	223.725	2.493	50	1	BEGF	
CCC/C=C1\OC(=O)C2=C1CC[C@H](O)[C@H]2Cl	238748489	QHFASJHNXWAWLY-JXQVETIVSA-N	242.702	2.286	50	1	BEGF	
C[C@H]1Nc2ccccc2N[C@@H]1C=C(C#N)C#N	1622968	QCGCVKUZGQLQCR-NOZJJQNGSA-N	224.267	2.255	50	1	BEGF	
FC[C@@H]1Cc2ccc(N=C=S)cc2CN1	13517624	VKQGFYVCKLGQHW-NSHDSACASA-N	222.288	2.405	50	1	BEGF	
CC(C)[C@@H]1[C@H]2C[C@]3(C)C(C=O)=CC[C@@H]3[C@H]1C(=O)O2	2356561239	VUUDJWFHCPXMBE-FTQJZPFOSA-N	248.322	2.355	50	1	BEGF	
O=C(OC1CSSC1)c1ccoc1	96283322	FOTUVNAWCTXBDR-UHFFFAOYSA-N	216.283	2.200	50	1	BEGF	
CC(C)C[S@@](=O)CCCCN=C=S	96922883	PWZIGQBKOZNVPS-CYBMUJFWSA-N	219.375	2.274	50	1	BEGF	
CO[C@@H]1O[C@@]2(C)CC[C@H]3CCCC[C@@]31OO2	101266685	JNHCSROJNLHADZ-DDHJBXDOSA-N	228.288	2.376	50	1	BEGF	
CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]12	253484585	IHLZMAMVGXEIGC-KZZRWZIVSA-N	234.295	2.170	50	1	BEGF	
N#CC(C#N)=Cc1coc2ccccc2c1=O	169318362	LRNLGONTMLHVCU-UHFFFAOYSA-N	222.203	2.224	50	1	BEGF	
C=C(C#N)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	40585228	IRNFOTRSQWBEDU-GFCCVEGCSA-N	246.222	2.279	50	1	BEGF	
C[C@H](O)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C	2356696696	MHYJCJBCANXJND-GARJFASQSA-N	248.439	2.386	50	1	BEGF	
CC(C=O)=C1C(=O)C[C@@]1(C)[C@H]1CC(C)(C)CC1=O	2356854364	RNWUCASUYIJNMB-BONVTDFDSA-N	248.322	2.486	50	1	BEGF	
Cc1ccccc1/C=C/S(=O)(=O)F	143405673	PIFUQEKLQKRTHC-VOTSOKGWSA-N	200.234	2.265	50	1	BEGF	
O=[S@](CCCCN=C=S)c1ccncc1	1857597331	OXXLSNYNQXAXAX-OAHLLOKOSA-N	240.353	2.072	50	1	BEGF	
CN(CCCl)[C@@H]1CCc2cc(O)ccc2C1	29556833	SBYUTULXARFVAV-GFCCVEGCSA-N	239.746	2.420	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1C1CCCC1	64491790	BQZZJSNTUVEUAU-UHFFFAOYSA-N	202.257	2.125	50	1	BEGF	
C=CC#Cc1ccc(C#C/C=C\C=O)s1	238783273	FTPBGNZLXXGRQB-XQRVVYSFSA-N	212.273	2.392	50	1	BEGF	
CCNC(=O)Oc1ccc([N+](=O)[O-])c(C)c1	103166783	DDJITWNOXCHBKL-UHFFFAOYSA-N	224.216	2.012	50	1	BEGF	
CCCCNNC(=O)c1cc2ccccc2[nH]1	96907813	GSTPEQMAKPVZFU-UHFFFAOYSA-N	231.299	2.202	50	1	BEGF	
BrC/C=C\c1nc2cnccc2[nH]1	586973314	HIAZDNNSKWZIAF-UPHRSURJSA-N	238.088	2.366	50	1	BEGF	
CC(C)[C@@H]1[C@H]2C[C@]3(C)C(C=O)=CC[C@H]3[C@H]1C(=O)O2	2356561241	VUUDJWFHCPXMBE-KMCWBVRRSA-N	248.322	2.355	50	1	BEGF	
C=C(C)[C@H](OO)[C@H]1[C@H](COC(C)=O)C1(C)C	238732406	CEQHLAVWIQXFHI-AXFHLTTASA-N	228.288	2.256	50	1	BEGF	
COc1cncc2nc([C@@H](Cl)CCl)[nH]c12	587007531	FHKBTPKTFURKGP-YFKPBYRVSA-N	246.097	2.485	50	1	BEGF	
N#C/C(=C\c1ccccc1)c1nc2ncc[nH]c-2n1	587187319	FVFCGNYODRDZJN-DHZHZOJOSA-N	247.261	2.369	50	1	BEGF	
C#C[C@]1(C)C=C(C#N)C(=O)c2ccccc21	473134429	CEMDRILHOUAXQY-CQSZACIVSA-N	207.232	2.224	50	1	BEGF	
Cc1nccc2[nH]c(CBr)nc12	586972425	QOUIHUJDGHMTEF-UHFFFAOYSA-N	226.077	2.161	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1[C@@H]1C[C@H]2CC[C@@H]1C2	64574078	MDEOLCVQZSSTKB-DMDPSCGWSA-N	228.295	2.371	50	1	BEGF	
CC=C[C@@H](O)[C@H]1C=Cc2cccc(O)c2COO1	2356550403	FEBWDEBUAVAUDH-ZIAGYGMSSA-N	248.278	2.173	50	1	BEGF	
COc1cc2nc([C@H](Cl)CCl)[nH]c2cn1	587007850	HWRPFOOLFVJEBF-RXMQYKEDSA-N	246.097	2.485	50	1	BEGF	
BrC/C=C/c1nc2cnccc2[nH]1	586973313	HIAZDNNSKWZIAF-OWOJBTEDSA-N	238.088	2.366	50	1	BEGF	
C=C1CC[C@@H]2[C@H](C=C(C=O)CCC1=O)[C@]2(C)CO	2356727331	DSSKHUXSDPLUFL-VNHYZAJKSA-N	248.322	2.056	50	1	BEGF	
O=C/C=C/C#CC#C/C=C/C=C/CCCCCO	14454677	RBBXQZDMGRGAFJ-ZRTWCMPSSA-N	242.318	2.413	50	1	BEGF	
C=C(C=O)[C@@H]1CC[C@@]2(C)C[C@H](O)C(=O)C(C)=C2C1	14497842	CKBLLHCTGOMDQL-ZLDLUXBVSA-N	248.322	2.198	50	1	BEGF	
C=C1CC[C@@H]2[C@H](C=C(C=O)CCC1=O)[C@@]2(C)CO	2356727328	DSSKHUXSDPLUFL-IPYPFGDCSA-N	248.322	2.056	50	1	BEGF	
C=C1[C@@H](C)CC[C@@]2(C)[C@@H]1CC=C(C=O)[C@@]2(O)C=O	105371261	LDAIOVKPAKFZHM-PUPMMZHASA-N	248.322	2.054	50	1	BEGF	
C[C@@H]1C(=CC=O)C[C@@H]2O[C@@H]3C(=O)[C@H](C)[C@]2(C)[C@@]31C	2356415714	TVBJKONGMMNVLM-AHWRLCTMSA-N	248.322	2.150	50	1	BEGF	
C/C=N/NC(=O)c1oc2ccccc2c1C	49054552	SCKAJTUHYRHVGL-QLKAYGNNSA-N	216.240	2.477	50	1	BEGF	
C[C@@H]1C=C(C=O)C(C=O)=C[C@]2(O)CC(C)(C)C[C@@H]12	2356386913	ABDLNDXNWOFSAT-DGFSRKRXSA-N	248.322	2.054	50	1	BEGF	
C=CCC12CCC3(C)O[C@@]1(C)OO[C@@]2(C)O3	95555513	FNJAAHCMZMJAGH-WSVSKBAQSA-N	226.272	2.500	50	1	BEGF	
CCNC(=O)/C(C#N)=C/c1cc2ccccc2[nH]1	1772582055	KTFLDOAJDLALHZ-DHZHZOJOSA-N	239.278	2.211	50	1	BEGF	
CC1(C)C=C[C@](O)(c2ccccc2)OO1	43242412	PLVMVWFTFOMIOI-GFCCVEGCSA-N	206.241	2.128	50	1	BEGF	
COc1cc2nc([C@@H](Cl)CCl)[nH]c2cn1	587007851	HWRPFOOLFVJEBF-YFKPBYRVSA-N	246.097	2.485	50	1	BEGF	
CC(C)[C@@H]1CC[C@H]2C=C(C=O)[C@H]1[C@@H]2CO	2356427423	AHRZQDHJIUYION-FTYKPCCVSA-N	208.301	2.032	50	1	BEGF	
CC1=CC(C)(C)[C@@H]2C1=C(C=O)[C@@H](C)C[C@H]2O	2356564382	MUCYVPPEJHYFEC-KDDOJWQBSA-N	220.312	2.485	50	1	BEGF	
C1C2CC3CC1CC([C@@]14COOC[C@@H]1O4)(C2)C3	44069697	ANVCZTNHZMVTKU-GSYQSQFHSA-N	236.311	2.302	50	1	BEGF	
O=C(CCl)N1C(=O)CCC12CCCCC2	653762850	VYXPBHPGBKBTNS-UHFFFAOYSA-N	229.707	2.077	50	1	BEGF	
CC1=CC(=O)C(/C(C)=C/C/C=C(\C)C=O)=CC1=O	85647918	TUGXTSKUBLGSJF-YOYBCKCWSA-N	244.290	2.493	50	1	BEGF	endogenous,in-man
CC(C)C(=O)Nc1nc(CN=C=S)cs1	27215309	JREPXVDFXAXHBT-UHFFFAOYSA-N	241.341	2.340	50	1	BEGF	
O=[S@@](CCCCN=C=S)c1ccccn1	1857604838	XLWRCOPDGNQBJE-HNNXBMFYSA-N	240.353	2.072	50	1	BEGF	
CC1CCN(COOC(C)(C)C)CC1	43422725	FULMLZAHYNIOSU-UHFFFAOYSA-N	201.310	2.423	50	1	BEGF	
CC#CC#CC#CC=C1C=C[C@@H](CCl)O1	2356468764	PTIDHJFLFJDWJT-ZDUSSCGKSA-N	216.667	2.094	50	1	BEGF	
C/C(=C\C=C(C#N)C#N)c1cc(C#N)c(N)o1	13125997	KWNHPLRWRWAJHX-KRXBUXKQSA-N	224.223	2.110	50	3	BEGF	
CC(C)[C@H]1C[C@@H](O)[C@@]2(C)[C@H]3CC=C(C=O)[C@H]2[C@H]31	2356462033	CQSJUZJHBVNZEX-BYGOPZEFSA-N	234.339	2.421	50	1	BEGF	
Cc1ccc2nc([C@H](N)CCl)[nH]c2c1	587010421	KGHNHCXXOXRXCX-SSDOTTSWSA-N	209.680	2.110	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@]2(C)C[C@@H]3C=C[C@]12OO3	43938778	GJIMAPYWZKTGNB-DJIHRAIXSA-N	224.300	2.203	50	1	BEGF	
CC1=C(O)S[C@](C)(/C=C(\C)C#N)C1=O	101283395	SQVKMPVJADQKGT-DFVUYQKZSA-N	209.270	2.320	50	1	BEGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCCC[C@]13OO2	100860109	JNHCSROJNLHADZ-WRWGMCAJSA-N	228.288	2.376	50	1	BEGF	
CCNC(=S)SSC(=S)NCC	33985801	AMFIBVNSEBYBAM-UHFFFAOYSA-N	240.444	2.157	50	1	BEGF	
CCCNP(=O)([N@@]1CC1(C)C)[N@@]1CC1(C)C	1857564511	OYZIFORQTFNXMP-KBPBESRZSA-N	245.307	2.283	50	1	BEGF	
CS(=O)(=O)/C(C#N)=C/c1c[nH]c2ccccc12	140043752	LAULQALZYLVPOH-UXBLZVDNSA-N	246.291	2.077	50	1	BEGF	
O=C[C@H](Cl)[C@H]1NCCc2cc(Cl)ccc21	963391061	PGIIXVKJTUNELI-QWRGUYRKSA-N	244.121	2.333	50	1	BEGF	
C=CCSSC=CC[S@@](C)=O	2356399722	FPQGSXSLZNUUFB-LLVKDONJSA-N	208.373	2.446	50	1	BEGF	
C=C(C=O)[C@@H]1CCC(C)=C2C(=O)C=C(C)[C@]2(O)C1	2356743334	UAVZAAKPJIWGKU-IUODEOHRSA-N	246.306	2.118	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1[C@H]1C[C@H]2CC[C@H]1C2	299809324	MDEOLCVQZSSTKB-GVXVVHGQSA-N	228.295	2.371	50	1	BEGF	
C1CC([C@@H]2OO[C@H](C3CCC3)[C@H]3O[C@@H]23)C1	38158596	DOWUEXUMQYAXGZ-BKUVIOGVSA-N	210.273	2.053	50	1	BEGF	
O=[S@@](CCCCN=C=S)Cc1ccco1	96922901	QPGFOMUAMLCYAQ-OAHLLOKOSA-N	243.353	2.411	50	1	BEGF	
COc1nccc2nc([C@H](Cl)CCl)[nH]c12	587007330	CFDNKMJFINPHBN-RXMQYKEDSA-N	246.097	2.485	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@@]2(C)C[C@@H]3CC[C@@]12OO3	101193067	LYOJMOXGTZZPFW-XRRVDJEJSA-N	226.316	2.427	50	1	BEGF	
C=C1[C@H](C)CC[C@]2(C)[C@@H]1CC=C(C=O)[C@@]2(O)C=O	169396531	LDAIOVKPAKFZHM-QZKOUSHUSA-N	248.322	2.054	50	1	BEGF	
COP(=O)(CCCCN=C=S)OC	217831566	HVMWKUNRFHVGNX-UHFFFAOYSA-N	223.234	2.355	50	1	BEGF	
CC(C)[C@@H]1CC[C@H]2C=C(C=O)[C@H]1[C@H]2CO	2356427425	AHRZQDHJIUYION-XYJRDEOASA-N	208.301	2.032	50	1	BEGF	
COP(=S)(OC)Oc1ccc(C#N)cc1	2035982	SCKHCCSZFPSHGR-UHFFFAOYSA-N	243.224	2.454	50	1	BEGF	in-vitro
CC1(C)[C@H](O)CC[C@@]2(C)C[C@@H]3CC[C@]12OO3	253694986	LYOJMOXGTZZPFW-LFSVMHDDSA-N	226.316	2.427	50	1	BEGF	
C1C2CC3CC1CC([C@H]1OOC[C@@H]4O[C@@H]41)(C2)C3	38158599	YUNJSAQZHMLGMT-OEEHZJHCSA-N	236.311	2.301	50	1	BEGF	
OC12C[C@@H]3C[C@@H](C1)CC(N=C=S)(C3)C2	101982765	BDOVZNVLJFTWKB-NKVNRFPTSA-N	209.314	2.173	50	1	BEGF	
CO/N=C/C(C#N)=C/c1ccc(OC)cc1	3046919	RMMMTHRTXMHGCI-BUVQNNFMSA-N	216.240	2.234	50	3	BEGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCCC[C@@]13OO2	43260695	JNHCSROJNLHADZ-KXNHARMFSA-N	228.288	2.376	50	1	BEGF	
CO[C@@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2	169314444	OXIYTJNOZQXQDD-WUHRBBMRSA-N	242.315	2.360	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1[C@@H]1C[C@H]2CC[C@H]1C2	299809321	MDEOLCVQZSSTKB-GMXVVIOVSA-N	228.295	2.371	50	1	BEGF	
C=CCN(CCC)C(=O)C(Cl)Cl	103284695	OJUXZSJOJZIWDH-UHFFFAOYSA-N	210.104	2.215	50	1	BEGF	
O=C1C=CC(=NC2=C(Cl)NSS2)C=C1	70454700	WMABSRWNOQDNLW-UHFFFAOYSA-N	244.728	2.388	50	1	BEGF	
C=CCSSc1nnc(N)s1	1772580565	PDMYZSMDXHJOKS-UHFFFAOYSA-N	205.333	2.047	50	1	BEGF	
C[C@@H]1CCC[C@]2(C1)C[C@](C)(CCO)OO2	253665836	HTHVOCNQVSIUPB-WOPDTQHZSA-N	214.305	2.428	50	1	BEGF	
C[P@](=O)(c1ccccc1)c1ccc(O)cc1	136991575	YOPXHFOSEDBETP-INIZCTEOSA-N	232.219	2.336	50	1	BEGF	
CC(C)(C)C12COP(=S)(OC1)OC2	2534459	VTBHBNXGFPTBJL-UHFFFAOYSA-N	222.246	2.320	50	1	BEGF	in-vitro
CC(C)C[C@@H]1C(=O)OC(=O)[C@@H]1c1ccc(O)cc1	116296276	KZLFRVFXQHOHPP-NWDGAFQWSA-N	248.278	2.222	50	1	BEGF	
C[C@H](O)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C	2356696698	MHYJCJBCANXJND-VWYCJHECSA-N	248.439	2.386	50	1	BEGF	
CCCC[C@@]1(OC)OOC(C)(C)C[C@@H]1CO	103287391	UOTZDYOVCZVGEE-ZYHUDNBSSA-N	232.320	2.258	50	1	BEGF	
CC(C)[C@H]1C[C@H](O)[C@@]2(C)[C@H]3CC=C(C=O)[C@H]2[C@H]31	2356462034	CQSJUZJHBVNZEX-HCDMYHGNSA-N	234.339	2.421	50	1	BEGF	
CC(C=O)=CC=C[C@]1(C)CC[C@H](C(C)(C)O)O1	2356394364	AHFPSTAAKRDXFK-TZMCWYRMSA-N	238.327	2.396	50	1	BEGF	
Cc1cnc2[nH]c(CBr)nc2c1	586972072	FLZQUKGBKLYQSY-UHFFFAOYSA-N	226.077	2.161	50	1	BEGF	
CC#CC#Cc1ccc(C#CC[C@@H](O)Cl)s1	2356673615	RNVZPKZKKZLCEC-CYBMUJFWSA-N	248.734	2.422	50	1	BEGF	
CC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N	40891878	IMCCLRGLBLUHSE-UHFFFAOYSA-N	240.266	2.016	50	1	BEGF	
C[C@@H]1CCC[C@]2(C1)C[C@@](C)(CCO)OO2	44418510	HTHVOCNQVSIUPB-UTUOFQBUSA-N	214.305	2.428	50	1	BEGF	
O=[S@](CCCCN=C=S)c1ccccn1	1857604839	XLWRCOPDGNQBJE-OAHLLOKOSA-N	240.353	2.072	50	1	BEGF	
O=C(N/N=C/c1ccco1)c1ccnc(Cl)c1	653710205	NAVXUOWFASTGPH-VGOFMYFVSA-N	249.657	2.092	50	1	BEGF	
COc1ccc2nc([C@@H](Cl)CCl)[nH]c2n1	587008609	PVBVPUDCLAMJFH-YFKPBYRVSA-N	246.097	2.485	50	1	BEGF	
CO[C@H]1O[C@]2(CF)CC[C@H]3CCCC[C@]13OO2	38153531	NMJYOCBKMCXIQW-WRWGMCAJSA-N	246.278	2.326	50	1	BEGF	
CC[C@@H](C)SN1C[C@@H](CCl)OC1=O	40763451	JYKPONOQVDZBOS-RNFRBKRXSA-N	223.725	2.493	50	1	BEGF	
CSCSSC[S@@](C)=O	13378335	VPVZUGOYFPCRCQ-VIFPVBQESA-N	202.391	2.024	50	1	BEGF	biogenic
O=C1O[C@@H](C#CCCl)Cc2ccccc21	2356465796	HIULLKVUQCDVBL-JTQLQIEISA-N	220.655	2.010	50	1	BEGF	
N#C/C(C(=O)CCl)=C1\Nc2ccccc2O1	5597101	WMOFSJXDBXTGAL-XFFZJAGNSA-N	234.642	2.034	50	1	BEGF	
C#C[C@@]1(C)C=C(C#N)C(=O)c2ccccc21	473134428	CEMDRILHOUAXQY-AWEZNQCLSA-N	207.232	2.224	50	1	BEGF	
CCOC(=O)N/N=C1\CCc2ccccc21	1020914	PARHFVIPXPMCNT-ACCUITESSA-N	218.256	2.083	50	3	BEGF	
CCC(=O)c1ccc(OCC(=O)CCl)cc1	169334100	XDFGFTJMSMDRRK-UHFFFAOYSA-N	240.686	2.466	50	1	BEGF	
CCOC1=C2C(=O)OC(=O)[C@H]2[C@@H]2CCCCC2=C1	73410688	XXIFVSPMJQCNLY-KOLCDFICSA-N	248.278	2.107	50	1	BEGF	
CO[C@@]1(C)CC[C@H]2[C@H](C)CCC[C@]2(C=O)OO1	43845660	CTEZQKIKUXZZFX-YVECIDJPSA-N	242.315	2.465	50	1	BEGF	
CCCNP(=O)(N1CC1(C)C)N1CC1(C)C	43692897	OYZIFORQTFNXMP-UHFFFAOYSA-N	245.307	2.283	50	1	BEGF	
CO[C@]1(C)CC[C@H]2[C@H](C)CCC[C@]2(C=O)OO1	43888606	CTEZQKIKUXZZFX-MROQNXINSA-N	242.315	2.465	50	1	BEGF	
CC1(C)CNP(=O)(Nc2ccccc2)NC1	103202635	AGUHYZOTIQMHFJ-UHFFFAOYSA-N	239.259	2.426	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@]2(C)C[C@@H]3CC[C@]12OO3	58555891	LYOJMOXGTZZPFW-DJIHRAIXSA-N	226.316	2.427	50	1	BEGF	
CC(C=CC1=C(C)C(=O)[C@@H](O)CC1(C)C)=CC=O	2356720700	GXLJMSJMXSSYQD-ZDUSSCGKSA-N	248.322	2.364	50	1	BEGF	
N#C/C(=C\c1ccccc1)c1nc2cnncc2[nH]1	587188049	NZUKBKLCQOSCQI-IZZDOVSWSA-N	247.261	2.417	50	1	BEGF	
CSCS[S@](=O)c1ccccn1	238747299	DITAIUNGQQWDEA-LBPRGKRZSA-N	219.356	2.158	50	1	BEGF	
CC(C=O)=Cc1c(C=O)cc(C)c(CCO)c1C	2356386642	QQQDFWJDGZDCQP-UHFFFAOYSA-N	246.306	2.253	50	1	BEGF	
C=CC[C@@]12CC[C@@]3(C)O[C@@]1(C)OO[C@@]2(C)O3	254091770	FNJAAHCMZMJAGH-HUVAQWKNSA-N	226.272	2.500	50	1	BEGF	
CN(C)C(=O)Oc1ccc([N+](=O)[O-])cc1Cl	103183604	OELFGZWNLWXMBS-UHFFFAOYSA-N	244.634	2.309	50	1	BEGF	
C[C@@H](CO)CCOc1ccc(C=CC=O)cc1	2356634511	JAJOZKSFIGKKGT-GFCCVEGCSA-N	234.295	2.296	50	1	BEGF	
C=CC#CC#CC1=CC=C(C#CCO)SS1	3790982	XSKTUQQPJKSVTR-UHFFFAOYSA-N	244.340	2.338	50	1	BEGF	biogenic
CC#CC#CC#CC=C1C=C[C@H](CCl)O1	2356468763	PTIDHJFLFJDWJT-CYBMUJFWSA-N	216.667	2.094	50	1	BEGF	
O=c1oc(C#CCCl)cc2ccccc12	103279616	GKFUWYMNGFBDGF-UHFFFAOYSA-N	218.639	2.383	50	1	BEGF	
CC1=C[C@@H](O)C([C@@H](C)CC/C=C(\C)C=O)=CC1=O	14496359	UZLYFZDXWGWUGA-XNRWGZKLSA-N	248.322	2.364	50	1	BEGF	endogenous,in-man
CC1(C)[C@H]2C=C(C=O)CC[C@H]3O[C@]3(C=O)CC[C@H]21	255271772	UOBZWMPWXPIGBV-COMQUAJESA-N	248.322	2.294	50	1	BEGF	
CCC(=O)c1cc2c(c(OC)c1)OOC2	70454503	YBMQSXBKQSYRTO-UHFFFAOYSA-N	208.213	2.112	50	1	BEGF	biogenic,in-vitro
Nc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1N	587009169	YDKQZEONGQUTPI-BYPYZUCNSA-N	245.113	2.246	50	1	BEGF	
C[C@@H]1C=C[C@H](COCc2ccccc2)OO1	43552912	MONNHGUUAWMHEM-DGCLKSJQSA-N	220.268	2.478	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@]2(C)C[C@H]3C=C[C@]12OO3	194983562	GJIMAPYWZKTGNB-DNIRFERGSA-N	224.300	2.203	50	1	BEGF	
Nc1cc2nc([C@H](Cl)CCl)[nH]c2cc1N	587009170	YDKQZEONGQUTPI-SCSAIBSYSA-N	245.113	2.246	50	1	BEGF	
CC(C=O)=CCC[C@H](C)C1=CC(=O)C(C)=C[C@H]1O	2356398539	UZLYFZDXWGWUGA-XHDPSFHLSA-N	248.322	2.364	50	1	BEGF	
CN1C=CN(COCCCCCl)/C1=C\N=O	148140563	UCFYRHSICPROPO-NTMALXAHSA-N	245.710	2.263	50	1	BEGF	
C=C1[C@@H](C)CC[C@@]2(C)[C@@H]1CC=C(C=O)[C@]2(O)C=O	5493046	LDAIOVKPAKFZHM-OADPDTJPSA-N	248.322	2.054	50	1	BEGF	
C[C@@H](CC(=O)NN)Nc1ccc2ccccc2c1	5929389	FEHWKSGXLHFLME-JTQLQIEISA-N	243.310	2.020	50	1	BEGF	
CP1(=O)O[C@@H](CCl)C[C@H](CCl)O1	169341845	HBDDJBCRCOKUOU-PHDIDXHHSA-N	233.031	2.461	50	1	BEGF	
CCN(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1	5952349	UTZKBUVTKANYLK-UHFFFAOYSA-N	238.243	2.435	50	1	BEGF	
C=CCSS/C=C/C[S@@](C)=O	14593404	FPQGSXSLZNUUFB-MALLOTDXSA-N	208.373	2.446	50	1	BEGF	endogenous,in-man
[C-]#[N+]CCN1CCC(CCN2CCCC2)CC1	95698012	LJEQWSYWGXOXMZ-UHFFFAOYSA-N	235.375	2.104	50	1	BEGF	
C[C@H]1C=C(C=O)C(C=O)=C[C@@]2(O)CC(C)(C)C[C@H]12	111381391	ABDLNDXNWOFSAT-PSOPSSQASA-N	248.322	2.054	50	1	BEGF	
COC(=O)/C(=C/c1ccccc1)CSC#N	95561209	WURRNMHDHBCEOL-YRNVUSSQSA-N	233.292	2.457	50	1	BEGF	
N[C@H](CCl)c1nc2ccc(F)c(F)c2[nH]1	587010055	FHYJQNVDKTXGRY-RXMQYKEDSA-N	231.633	2.080	50	1	BEGF	
CC(C)[C@@H]1C[C@@H](O)[C@@]2(C)[C@H]3CC=C(C=O)[C@H]2[C@@H]13	2356462035	CQSJUZJHBVNZEX-RODWMJHOSA-N	234.339	2.421	50	1	BEGF	
CC=CC#CC#CC#C[C@H]1[C@@H](COC)[C@@H]1Cl	2356601268	PTJMURWWHKKZJF-BFHYXJOUSA-N	232.710	2.073	50	1	BEGF	
CCOC1=C2C(=O)OC(=O)[C@@H]2[C@@H]2CCCCC2=C1	73410685	XXIFVSPMJQCNLY-MWLCHTKSSA-N	248.278	2.107	50	1	BEGF	
CCC[S@](=O)CCCCN=C=S	96922878	KLMPBPKOIXQKHU-GFCCVEGCSA-N	205.348	2.028	50	1	BEGF	
C[C@H]1CCC[C@]2(C1)C[C@@](C)(CCO)OO2	44418514	HTHVOCNQVSIUPB-TUAOUCFPSA-N	214.305	2.428	50	1	BEGF	
CCc1ccc2nc([C@H](N)CCl)[nH]c2c1	587009604	AHOIDAPPIOTNRF-MRVPVSSYSA-N	223.707	2.364	50	1	BEGF	
Cl[C@@H]1C[C@H](Br)C2=CCO[C@H]2C1	2356508551	ZLVFPOXMCKFIOH-DTLFHODZSA-N	237.524	2.476	50	1	BEGF	
C[C@H](Br)c1nc2ccnc(O)c2[nH]1	587008756	NZQYHVMOWCCGMT-BYPYZUCNSA-N	242.076	2.119	50	1	BEGF	
C[C@H]1C=C(C=O)C(C=O)=C[C@@]2(O)CC(C)(C)C[C@@H]12	95912266	ABDLNDXNWOFSAT-VZJVUDMVSA-N	248.322	2.054	50	1	BEGF	biogenic,in-vitro
C[C@@H]1[C@H]2O[C@H]3CC(=CC=O)[C@@H](C)[C@@](C)(C2=O)[C@]31C	2356673292	FOASRDYNANTUAV-PFJQPICRSA-N	248.322	2.150	50	1	BEGF	
O=P(O)(O)Cc1ccc(CCl)cc1	473093464	UHNFAXNZOPGTMU-UHFFFAOYSA-N	220.592	2.103	50	1	BEGF	
O=[S@@](CCCCN=C=S)c1ccncc1	1857597330	OXXLSNYNQXAXAX-HNNXBMFYSA-N	240.353	2.072	50	1	BEGF	
CC[C@H](C)SN1C[C@@H](CCl)OC1=O	40763452	JYKPONOQVDZBOS-NKWVEPMBSA-N	223.725	2.493	50	1	BEGF	
O=C(C(Cl)Cl)[C@H](Cl)Br	85857219	IJVAPODNWOMMSL-REOHCLBHSA-N	240.311	2.319	50	1	BEGF	
CC1(C)[C@H]2/C=C(\C=O)CC[C@H]3O[C@@]3(C=O)CC[C@H]21	207010785	UOBZWMPWXPIGBV-SIDZDQGZSA-N	248.322	2.294	50	1	BEGF	
C/C(=C\COc1ccc(/C=C/C=O)cc1)CO	220616185	WTPJBDXPQRVSMI-NQPRBDNZSA-N	232.279	2.216	50	1	BEGF	
C/C(C=O)=C\C=C\[C@]1(C)CC[C@@H](C(C)(C)O)O1	238789039	AHFPSTAAKRDXFK-DBSXAOGKSA-N	238.327	2.396	50	1	BEGF	
C=C1[C@@H](C)CC[C@]2(C)C=C(C=O)[C@@H](O)C[C@H]12	14611538	ZZDVLDJXXQZPTF-GSVCSZOMSA-N	220.312	2.485	50	1	BEGF	
O=[S@@](CCCN=C=S)Cc1ccccc1	96922903	DXEVAWYZGFEGGX-OAHLLOKOSA-N	239.365	2.428	50	1	BEGF	
O=NC=C1C=CN(CCOCCCl)C=C1	199451411	OZPAVNTUQDMAEH-UHFFFAOYSA-N	228.679	2.235	50	1	BEGF	
CC(C=O)=CCC[C@@H](C)C1=CC(=O)C(C)=C[C@H]1O	2356398537	UZLYFZDXWGWUGA-IAQYHMDHSA-N	248.322	2.364	50	1	BEGF	
CCOC(=O)[C@]1(C/C=C/CCl)CCCC1=O	1860176	OZLXONPGYMUEBE-AAOUONPWSA-N	244.718	2.474	50	1	BEGF	
CC#CC#Cc1ccc(C#CC[C@H](O)Cl)s1	238763366	RNVZPKZKKZLCEC-ZDUSSCGKSA-N	248.734	2.422	50	1	BEGF	
BrC/C=C\c1nc2cccnc2[nH]1	586972951	CZNIOABKANMOOM-RJRFIUFISA-N	238.088	2.366	50	1	BEGF	
CO[C@]12CCCC[C@@H]1[C@H]1CCCC[C@]1(O)OO2	58528672	OXIYTJNOZQXQDD-NDBYEHHHSA-N	242.315	2.360	50	1	BEGF	
O=[S@](Sc1ccccn1)c1ccccn1	214081021	PGSKEBNWYGTEOK-OAHLLOKOSA-N	236.321	2.292	50	1	BEGF	
O=c1ccc2c(C(Cl)Cl)nccc2[nH]1	27551296	IOPIEMKIPCMEEO-UHFFFAOYSA-N	229.066	2.399	50	1	BEGF	
CCCCC[C@]1(OC)CC[C@@H](CC(=O)O)OO1	43379829	FMBJHARNHJNVLJ-CMPLNLGQSA-N	246.303	2.495	50	1	BEGF	
O=NN(CCCl)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2	100060224	VGFFLHYAQABHTR-IWSPIJDZSA-N	245.710	2.107	50	1	BEGF	
C=CC[S@](=O)C/C=C\SSC	33830679	AHJWMSQZOWKKJQ-DOGVGXBMSA-N	208.373	2.446	50	1	BEGF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC=C(C=O)[C@@H]3C[C@H]12	238736428	QHZJDZMUOAWFAX-QVHKTLOISA-N	246.306	2.420	50	1	BEGF	
C#C[C@@]12C=C(C#N)C(=O)C=C1C(C)(C)CC2	473136554	SGUQBHILIIKLEZ-CQSZACIVSA-N	211.264	2.385	50	1	BEGF	
CCCC=C1OC(=O)C2=C1CC[C@H](O)[C@H]2Cl	2356651519	QHFASJHNXWAWLY-GZMMTYOYSA-N	242.702	2.286	50	1	BEGF	
COCc1cccc(NC(=O)NCCCl)c1	28650553	VKRRRSVEMGOZPI-UHFFFAOYSA-N	242.706	2.193	50	1	BEGF	
CN1C=CN(COCCCCCl)/C1=C/N=O	209140092	UCFYRHSICPROPO-CSKARUKUSA-N	245.710	2.263	50	1	BEGF	
CC1(C)C[C@H](CCBr)C(=O)O1	64634075	MNAISORFCPZIGZ-LURJTMIESA-N	221.094	2.113	50	1	BEGF	in-vitro
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@H]1C2)c1ccco1	342414	OECOHRVWINQQES-BHMMGSGCSA-N	232.283	2.431	50	1	BEGF	
S=C=Nc1ccc(CCC2=NCCN2)cc1	13601113	JRDREDQXRRTRPA-UHFFFAOYSA-N	231.324	2.355	50	1	BEGF	
CC1(C)C=C[C@@](O)(c2ccccc2)OO1	43242415	PLVMVWFTFOMIOI-LBPRGKRZSA-N	206.241	2.128	50	1	BEGF	
CC(=O)OCCCCCCN=C=S	39018439	ZRGOPUNDFRXXPE-UHFFFAOYSA-N	201.291	2.213	50	1	BEGF	
CCCCCCCCCCNNC(=O)COC	96940446	XDRYVFUMEDDDGS-UHFFFAOYSA-N	244.379	2.394	50	1	BEGF	
CC(=O)N/N=C1\CC(C)(C)[C@H]2CC[C@H]1C2	102935051	WUEKNJXUHBWDRN-HWRGLRSYSA-N	208.305	2.325	50	1	BEGF	
COc1nn(-c2ccccc2)cc1C=CC=O	2356846057	OJUAVLWCKJGZTN-UHFFFAOYSA-N	228.251	2.093	50	1	BEGF	
CC(C)NNC(=O)c1ccc(C(C)C)cc1	169334283	SPHXYKCADZKCOA-UHFFFAOYSA-N	220.316	2.453	50	1	BEGF	
C[C@H]1Nc2ccccc2N[C@H]1C=C(C#N)C#N	1622970	QCGCVKUZGQLQCR-RNCFNFMXSA-N	224.267	2.255	50	1	BEGF	
C[C@H](CO)CCOc1ccc(C=CC=O)cc1	2356634513	JAJOZKSFIGKKGT-LBPRGKRZSA-N	234.295	2.296	50	1	BEGF	
ClCc1nnc(Cn2cnc3ccccc32)o1	45318048	BBOVMVHJGTVAPB-UHFFFAOYSA-N	248.673	2.206	50	1	BEGF	
CN(C)C[C@@H]1CC[C@H](CN(C)C)SS1	103280441	RSSBUSVBHLUXMM-AOOOYVTPSA-N	234.434	2.022	50	1	BEGF	
O[C@@H](CCl)CNc1cccc(Cl)c1	29126306	ASFMLBDJHGCHHN-VIFPVBQESA-N	220.099	2.352	50	1	BEGF	
Oc1nccc2nc([C@@H](Cl)CCl)[nH]c12	587009321	ZYLMWHVABIZUGM-BYPYZUCNSA-N	232.070	2.182	50	1	BEGF	
CC12OOC(C)(OO1)C2Cc1ccccc1	95556645	TVGVWELHIIVWJV-UHFFFAOYSA-N	222.240	2.201	50	1	BEGF	
O=CC1=C(Cl)c2cc3c(cc2C1)OCO3	72170861	BOYAQSAORXTVND-UHFFFAOYSA-N	222.627	2.120	50	1	BEGF	
CO[C@@H]1O[C@]2(C)CC[C@H]3CCCC[C@@]31OO2	43845609	JNHCSROJNLHADZ-WISYIIOYSA-N	228.288	2.376	50	1	BEGF	
O=[S@](CCCCN=C=S)Cc1ccco1	96922902	QPGFOMUAMLCYAQ-HNNXBMFYSA-N	243.353	2.411	50	1	BEGF	
NC(=O)c1cccc(OCCCCCl)c1	96923053	MJSBGVPYHDTKEZ-UHFFFAOYSA-N	227.691	2.183	50	1	BEGF	
CC1=CC(C)(C)[C@@H]2C1=C(C=O)[C@H](C)C[C@@H]2O	2356564384	MUCYVPPEJHYFEC-WLTAIBSBSA-N	220.312	2.485	50	1	BEGF	
CC=CC=CCC[C@@H]1NCC[C@@H](Cl)[C@@H]1O	2356790913	GEGGODVKMZQIOL-WOPDTQHZSA-N	229.751	2.229	50	1	BEGF	
C=CC#CC#CC1=CC=C(C#CC)[S@](=O)S1	14766014	BSMKHCHYHFVZRI-INIZCTEOSA-N	244.340	2.381	50	1	BEGF	
C/C=C/[C@H](O)[C@@H]1C=Cc2cccc(O)c2COO1	85966630	FEBWDEBUAVAUDH-YLELEZQGSA-N	248.278	2.173	50	1	BEGF	
CC1=CC(C)(C)[C@@H]2C1=C(C=O)[C@@H](C)C[C@@H]2O	2356564383	MUCYVPPEJHYFEC-QWRKXWFKSA-N	220.312	2.485	50	1	BEGF	
CC/C=C\C[C@H]1C(=O)C(C#N)=C[C@H]1CC(=O)OC	40391797	MWQIYELTOPSEOL-HDTYDHQFSA-N	247.294	2.171	50	1	BEGF	
C[C@@H]1C(=O)[C@H]2O[C@H]3CC(=CC=O)[C@@H](C)[C@@]2(C)[C@]31C	2356415716	TVBJKONGMMNVLM-SQHAMXNJSA-N	248.322	2.150	50	1	BEGF	
C[C@@H]1Nc2ccccc2N[C@@H]1C=C(C#N)C#N	5551691	QCGCVKUZGQLQCR-TVQRCGJNSA-N	224.267	2.255	50	1	BEGF	
N#C/C(C(=O)Nc1ccc(O)cc1)=C(/O)C1CC1	100785135	KMXGGVOBBSAFMO-QXMHVHEDSA-N	244.250	2.076	50	1	BEGF	
CCO[C@@H](C)OCC#CCCBr	1616184	UEMPDGMNEICTBQ-SECBINFHSA-N	235.121	2.174	50	1	BEGF	
O=C(OCC1=CC=C(CO)SS1)C1CC1	19675	ZHRBZLRVFMRXRM-UHFFFAOYSA-N	244.337	2.095	50	1	BEGF	
C=CC[S@@](=O)CC=CSSC	2356681914	AHJWMSQZOWKKJQ-LLVKDONJSA-N	208.373	2.446	50	1	BEGF	
Cc1c(F)ccc2nc([C@H](N)CCl)[nH]c12	587010568	LSBFMANMIHRACM-SSDOTTSWSA-N	227.670	2.249	50	1	BEGF	
CN(C)C(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1	103183607	XJRFQBNLDUCRMP-UHFFFAOYSA-N	244.634	2.309	50	1	BEGF	
CN(C)C[C@@H]1CC[C@@H](CN(C)C)SS1	103280445	RSSBUSVBHLUXMM-UWVGGRQHSA-N	234.434	2.022	50	1	BEGF	
CC=CC=CCC[C@@H]1NCC[C@@H](Cl)[C@H]1O	2356790910	GEGGODVKMZQIOL-GRYCIOLGSA-N	229.751	2.229	50	1	BEGF	
C[C@H](CO)CCOc1ccc(/C=C/C=O)cc1	14504850	JAJOZKSFIGKKGT-JDGPPOGSSA-N	234.295	2.296	50	1	BEGF	
O=C/C=C\C=C\C/C=C/CCCC(=O)O	14619256	ZRIOISYGDYRQIK-JDNZBGOLSA-N	208.257	2.499	50	1	BEGF	
CO[C@]12CCCC[C@@H]1[C@H]1CCCC[C@@]1(O)OO2	253634131	OXIYTJNOZQXQDD-LPWJVIDDSA-N	242.315	2.360	50	1	BEGF	
Oc1nccc2nc([C@H](Cl)CCl)[nH]c12	587009325	ZYLMWHVABIZUGM-SCSAIBSYSA-N	232.070	2.182	50	1	BEGF	
C=C(C)[C@@H](O)CCC(=C)[C@H]1COC(C)(C)OO1	42784661	BLEJYCHZDKNWBT-NWDGAFQWSA-N	242.315	2.343	50	1	BEGF	
CC(C=O)=CC=C[C@@]1(C)CC[C@@H](C(C)(C)O)O1	2356394362	AHFPSTAAKRDXFK-JSGCOSHPSA-N	238.327	2.396	50	1	BEGF	
CCOC(=O)/C=C/C1=CC=C(CO)SS1	21768	XLUZJQMKIOCZQK-AATRIKPKSA-N	244.337	2.261	50	1	BEGF	
CC(C=O)=CC=C[C@]1(C)CC[C@@H](C(C)(C)O)O1	2356394361	AHFPSTAAKRDXFK-GXTWGEPZSA-N	238.327	2.396	50	1	BEGF	
C=CCSS/C=C\C[S@@](C)=O	34381071	FPQGSXSLZNUUFB-QZPNVGJNSA-N	208.373	2.446	50	1	BEGF	
Cc1ccc2nc([C@H](N)CCl)[nH]c2c1C	587012768	YYWYFCVWEZLTTO-MRVPVSSYSA-N	223.707	2.418	50	1	BEGF	
CC(C)[S@](=O)CCCCCN=C=S	96922910	OANDHRUUMWSNFR-ZDUSSCGKSA-N	219.375	2.417	50	1	BEGF	
CC(C)[C@H]1CC[C@H]2C=C(C=O)[C@H]1[C@H]2CO	2356427426	AHRZQDHJIUYION-ZBAXXZLZSA-N	208.301	2.032	50	1	BEGF	
CCCCC[C@H]1C=C[C@@H](CC(=O)O)OO1	66258667	LJIZBAKOYGIJOL-UWVGGRQHSA-N	214.261	2.297	50	1	BEGF	
COc1cc2c3c(c1)O[C@H](CCl)[C@@H](C2)C3=O	587419463	DJNNRONPBZUYIA-PSASIEDQSA-N	238.670	2.050	50	1	BEGF	
C1CCCC2(CC1)OOCCCOO2	43273891	SPCNABWCMWGTRQ-UHFFFAOYSA-N	202.250	2.337	50	1	BEGF	
COC(=O)/C(C#N)=C1\Nc2ccccc2S1	33836290	SEIUOPPGQAMYGB-JXMROGBWSA-N	232.264	2.112	50	1	BEGF	in-vitro
CC(C)C[C@H]1C(=O)OC(=O)[C@@H]1c1ccc(O)cc1	116296282	KZLFRVFXQHOHPP-VXGBXAGGSA-N	248.278	2.222	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1c1ccccc1OC	64391082	UUOPVWMQRCZLPF-UHFFFAOYSA-N	240.262	2.396	50	1	BEGF	
C[C@@H]1[C@H]2O[C@@H]3C/C(=C\C=O)[C@@H](C)[C@](C)(C2=O)[C@]13C	238774790	FOASRDYNANTUAV-KCCHWHNQSA-N	248.322	2.150	50	1	BEGF	
Cc1ccc2c(c1)[C@]1(C[C@H]1CCl)C(=O)N2	71316049	KCTPNMHLRPREJC-QPUJVOFHSA-N	221.687	2.444	50	1	BEGF	
COc1cc2c3c(c1)O[C@@H](CCl)[C@@H](C2)C3=O	587419477	DJNNRONPBZUYIA-SCZZXKLOSA-N	238.670	2.050	50	1	BEGF	
C=C(C#N)[C@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	40585230	IRNFOTRSQWBEDU-LBPRGKRZSA-N	246.222	2.279	50	1	BEGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCl)O2	587373495	DONSAWCXTSHWMA-ZETCQYMHSA-N	225.675	2.150	50	1	BEGF	
C[C@H]1C(=CC=O)C[C@@H]2O[C@@H]3C(=O)[C@H](C)[C@]2(C)[C@]13C	2356415717	TVBJKONGMMNVLM-UBNCOWTISA-N	248.322	2.150	50	1	BEGF	
C=C(C#N)[C@@H](O)c1cc(C)cnc1Cl	40548304	QLAXXIGEJNGORS-SECBINFHSA-N	208.648	2.157	50	1	BEGF	
C=CC[C@](C#N)(OOC(C)(C)C)C(=O)OCC	95556928	LZQGLWZRIFIRRR-GFCCVEGCSA-N	241.287	2.135	50	1	BEGF	
C[C@@H]1C(=O)[C@H]2O[C@@H]3C/C(=C\C=O)[C@@H](C)[C@@]2(C)[C@]13C	238777926	TVBJKONGMMNVLM-FILAGMQUSA-N	248.322	2.150	50	1	BEGF	
CCOC1=C2C(=O)OC(=O)[C@H]2[C@H]2CCCCC2=C1	73410693	XXIFVSPMJQCNLY-ONGXEEELSA-N	248.278	2.107	50	1	BEGF	
C[C@@H]1CCC[C@@]2(C1)C[C@](C)(CCO)OO2	253665828	HTHVOCNQVSIUPB-GRYCIOLGSA-N	214.305	2.428	50	1	BEGF	
O=C(OC1CSSC1)c1ccco1	96283355	AXISALDHMCHFNL-UHFFFAOYSA-N	216.283	2.200	50	1	BEGF	
COC(=O)Nc1nc(CCCl)cs1	27213328	LVFKMBIAPBZYTQ-UHFFFAOYSA-N	220.681	2.103	50	1	BEGF	
C=C(C)[C@H](O)CCC(=C)[C@@H]1COC(C)(C)OO1	42784658	BLEJYCHZDKNWBT-NEPJUHHUSA-N	242.315	2.343	50	1	BEGF	
CC1(C)[C@H](O)CC[C@]2(C)C[C@@H]3CC[C@@]12OO3	101193068	LYOJMOXGTZZPFW-XKAARJIMSA-N	226.316	2.427	50	1	BEGF	
N#C/C(=C/c1ccccc1)c1nc2ncc[nH]c-2n1	587187327	FVFCGNYODRDZJN-FLIBITNWSA-N	247.261	2.369	50	1	BEGF	
C=CC[C@@](C#N)(OOC(C)(C)C)C(=O)OCC	95556929	LZQGLWZRIFIRRR-LBPRGKRZSA-N	241.287	2.135	50	1	BEGF	
CCC/C=C1\OC(=O)C2=C1CC[C@H](O)[C@@H]2Cl	138924301	QHFASJHNXWAWLY-RCBCECLLSA-N	242.702	2.286	50	1	BEGF	
C#C[C@@]12C=C(C#N)C(=O)C=C1c1ccccc1C2	473136373	QKSWQQCACLLDFS-MRXNPFEDSA-N	231.254	2.278	50	1	BEGF	
N[C@H](CCl)c1nc2cc(F)cc(F)c2[nH]1	587011264	QKDKHBFXHHSRGO-ZCFIWIBFSA-N	231.633	2.080	50	1	BEGF	
CCCN[P@@](=O)([N@]1CC1(C)C)[N@@]1CC1(C)C	1857564512	OYZIFORQTFNXMP-MIFYACCESA-N	245.307	2.283	50	1	BEGF	
COc1cncc2nc([C@H](Cl)CCl)[nH]c12	587007530	FHKBTPKTFURKGP-RXMQYKEDSA-N	246.097	2.485	50	1	BEGF	
N=P(N)(c1ccccc1)c1ccccc1	59549171	SCTLOBNXCWHAJH-UHFFFAOYSA-N	216.224	2.291	50	1	BEGF	in-vitro
ClC[C@@H](Cl)c1nc2cccnc2[nH]1	587008626	PWNFNWKNNMPNTR-RXMQYKEDSA-N	216.071	2.477	50	1	BEGF	
O=CNNC1c2ccccc2Oc2ccccc21	28230794	IBOZHCWPFYTSLT-UHFFFAOYSA-N	240.262	2.132	50	1	BEGF	
C#C[C@]12C=C(C#N)C(=O)C=C1c1ccccc1C2	473136372	QKSWQQCACLLDFS-INIZCTEOSA-N	231.254	2.278	50	1	BEGF	
CCCCCCC[C@H]1OOC[C@H]2O[C@@H]12	43552916	FKPFKZWYWCPLBX-MXWKQRLJSA-N	200.278	2.445	50	1	BEGF	
C[C@H]1CC[C@@H](NC(=O)N(CCCl)N=O)CC1	101611619	FVLVBPDQNARYJU-KYZUINATSA-N	247.726	2.497	50	1	BEGF	
CC#CC#CC#CC=C1C=C[C@H](Cl)CO1	2356543046	KSDSGWWDSHLQBZ-LBPRGKRZSA-N	216.667	2.094	50	1	BEGF	
N#C/C(=C\c1ccc[nH]1)n1nc2ccccc2n1	6584418	PMIUVAOYLXGUHD-DHZHZOJOSA-N	235.250	2.281	50	1	BEGF	
C#CCN(C(=O)NCCCl)C1CCCCC1	26393966	YEWWAQGRUVGDDJ-UHFFFAOYSA-N	242.750	2.203	50	1	BEGF	
O=[S@](CCCN=C=S)Cc1ccccc1	96922904	DXEVAWYZGFEGGX-HNNXBMFYSA-N	239.365	2.428	50	1	BEGF	
Cc1cccc2nc([C@H](N)CCl)[nH]c12	587012803	ZPEHKYDWLROBCK-SSDOTTSWSA-N	209.680	2.110	50	1	BEGF	
FC[C@H]1Cc2ccc(N=C=S)cc2CN1	13517628	VKQGFYVCKLGQHW-LLVKDONJSA-N	222.288	2.405	50	1	BEGF	
CC#CC#CC#CC=C1C=C[C@@H](Cl)CO1	2356543043	KSDSGWWDSHLQBZ-GFCCVEGCSA-N	216.667	2.094	50	1	BEGF	
CC(C)[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3CC=C(C=O)[C@H]2[C@@H]13	2356462036	CQSJUZJHBVNZEX-WCBJTDJXSA-N	234.339	2.421	50	1	BEGF	
C=CCSSCC=C[S@](C)=O	2356546451	LHHYEJCLCDLZBV-NSHDSACASA-N	208.373	2.446	50	1	BEGF	
O=CC(=Cc1ccc(CO)o1)c1ccc(O)cc1	2356643976	OJVIEKKWOFPOJY-UHFFFAOYSA-N	244.246	2.217	50	1	BEGF	
Oc1cc(CCl)nc2nc3ccccc3n12	13637908	CMYXXHJAYOVLPZ-UHFFFAOYSA-N	233.658	2.327	50	3	BEGF	
CC(=O)c1ccc(O)c(CC=C(C)C=O)c1	2356641067	ZDMKUBRRBGKXQT-UHFFFAOYSA-N	218.252	2.283	50	1	BEGF	
N#Cc1cccc2nc(CBr)[nH]c12	586972076	FQRVDPYQBMXJAQ-UHFFFAOYSA-N	236.072	2.329	50	1	BEGF	
ClC[C@@H](Cl)c1nc2cnccc2[nH]1	587008660	QDSHCWCWOYEJEP-RXMQYKEDSA-N	216.071	2.477	50	1	BEGF	
CCOP(=O)(CCN=C=S)OCC	1772653804	AGQUXTHZUMBSGG-UHFFFAOYSA-N	223.234	2.355	50	1	BEGF	
CCC(=O)Oc1ccccc1/C=C/C=O	26501804	SXBDXXLIPJKWHN-FNORWQNLSA-N	204.225	2.214	50	1	BEGF	
C=C1[C@@H]2CC=C(C=O)[C@@](O)(C=O)[C@]2(C)CC[C@H]1C	14611540	LDAIOVKPAKFZHM-KAOXEZKKSA-N	248.322	2.054	50	1	BEGF	
CCOC1=C2C(=O)OC(=O)[C@@H]2[C@H]2CCCCC2=C1	73410690	XXIFVSPMJQCNLY-GXSJLCMTSA-N	248.278	2.107	50	1	BEGF	
O=C(NCCCCN=C=S)NC1CCCC1	1857566310	NQUTZQFDTIRNDF-UHFFFAOYSA-N	241.360	2.111	50	1	BEGF	
CC(=O)OC1=C(C#N)Cn2ccc3cccc1c32	493041	FEHRBWAOGBNWOI-UHFFFAOYSA-N	238.246	2.453	50	3	BEGF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21	195410900	IHLZMAMVGXEIGC-VSSNEEPJSA-N	234.295	2.170	50	1	BEGF	
C=CCSS/C=C/C[S@](C)=O	14593405	FPQGSXSLZNUUFB-DUMNWFOQSA-N	208.373	2.446	50	1	BEGF	endogenous,in-man
C[C@H](CC(=O)NN)Nc1ccc2ccccc2c1	5929857	FEHWKSGXLHFLME-SNVBAGLBSA-N	243.310	2.020	50	1	BEGF	
CCCCCCC[C@H]1OOC[C@@H]2O[C@@H]21	44069730	FKPFKZWYWCPLBX-OUAUKWLOSA-N	200.278	2.445	50	1	BEGF	
C=CCC/C=N/NC(=O)CCCCCC(=O)O	95808663	QCZSIOCCDUQWMV-JLHYYAGUSA-N	240.303	2.090	50	1	BEGF	
CC[C@H](C)SN1C[C@H](CCl)OC1=O	40763450	JYKPONOQVDZBOS-BQBZGAKWSA-N	223.725	2.493	50	1	BEGF	
COc1ccc2nc([C@H](Cl)CCl)[nH]c2n1	587008606	PVBVPUDCLAMJFH-RXMQYKEDSA-N	246.097	2.485	50	1	BEGF	
C=C(C#CC=C(C)C)[C@H]1CC=C(C=O)C[C@@H]1O	14444433	JCCZAMSVRSKGTD-CABCVRRESA-N	230.307	2.408	50	1	BEGF	
Cc1cc(F)c2[nH]c([C@H](N)CCl)nc2c1	587011533	SHWGCBJQBNQFBS-SSDOTTSWSA-N	227.670	2.249	50	1	BEGF	
C=C(C)[C@H](OO)[C@@H]1[C@@H](COC(C)=O)C1(C)C	2356718682	CEQHLAVWIQXFHI-VWYCJHECSA-N	228.288	2.256	50	1	BEGF	
CC=CC#CC#CC#C[C@@H]1[C@H](Cl)[C@@H]1COC	2356601271	PTJMURWWHKKZJF-MJBXVCDLSA-N	232.710	2.073	50	1	BEGF	
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC=C(C=O)[C@H]3C[C@H]12	238759988	QHZJDZMUOAWFAX-RGCMKSIDSA-N	246.306	2.420	50	1	BEGF	
O=C[C@H](Cl)[C@@H]1NCCc2cc(Cl)ccc21	963391062	PGIIXVKJTUNELI-WDEREUQCSA-N	244.121	2.333	50	1	BEGF	
Cl[C@H]1C[C@@H](Br)C2=CCO[C@@H]2C1	238767406	ZLVFPOXMCKFIOH-UIISKDMLSA-N	237.524	2.476	50	1	BEGF	
C[C@@H](NNC(=O)c1ccncc1)c1ccccc1	6443359	BNFYDDNWBRYWHT-LLVKDONJSA-N	241.294	2.077	50	1	BEGF	
CC(C)CC1=C(c2ccc(O)cc2)C(=O)OC1=O	42850795	FJGYSGJBIYTUFG-UHFFFAOYSA-N	246.262	2.275	50	1	BEGF	
CCOC(=O)[C@@]1(C/C=C/CCl)CCCC1=O	1860173	OZLXONPGYMUEBE-PCAWENJQSA-N	244.718	2.474	50	1	BEGF	
C=C(C=O)[C@@H]1CCC(C)=C2C(=O)C=C(C)[C@@]2(O)C1	238734033	UAVZAAKPJIWGKU-DOMZBBRYSA-N	246.306	2.118	50	1	BEGF	
Cc1ccc(/C=N\NC(=O)c2ccncc2)s1	1651791	PWAZOSYCMVBHKQ-ZSOIEALJSA-N	245.307	2.215	50	1	BEGF	
C=CCSSc1ncnc2nc[nH]c12	40833708	HSQBKWFKQCEING-UHFFFAOYSA-N	224.314	2.279	50	1	BEGF	
CC1(C)[C@H](O)CC[C@@]2(C)C[C@H]3C=C[C@]12OO3	194983521	GJIMAPYWZKTGNB-AAXDQBDMSA-N	224.300	2.203	50	1	BEGF	
NC(=O)c1c(F)ccc(OCCCCl)c1F	203653434	FPJZAQSAWXZTJP-UHFFFAOYSA-N	249.644	2.071	50	1	BEGF	
CC1=C[C@H](O)C([C@@H](C)CC/C=C(\C)C=O)=CC1=O	14496353	UZLYFZDXWGWUGA-CVVUCRMCSA-N	248.322	2.364	50	1	BEGF	endogenous,in-man
Cl[C@H]1C[C@H](Br)C2=CCO[C@@H]2C1	238750679	ZLVFPOXMCKFIOH-APQOSEDMSA-N	237.524	2.476	50	1	BEGF	
CC(C=O)=CCC[C@H](C)C1=CC(=O)C(C)=C[C@@H]1O	2356398538	UZLYFZDXWGWUGA-NHYWBVRUSA-N	248.322	2.364	50	1	BEGF	
C=CCSSCC=C[S@@](C)=O	2356546450	LHHYEJCLCDLZBV-LLVKDONJSA-N	208.373	2.446	50	1	BEGF	
N[C@H](CCl)c1nc2cc(F)c(F)c(F)c2[nH]1	587009879	CIQYXWYWHJARTC-SCSAIBSYSA-N	249.623	2.219	50	1	BEGF	
CC1=CC(C)(C)[C@@H]2C1=C(C=O)[C@H](C)C[C@H]2O	2356564381	MUCYVPPEJHYFEC-DYLAAIIWSA-N	220.312	2.485	50	1	BEGF	
CCCC=C1OC(=O)C2=C1CC[C@@H](O)[C@@H]2Cl	2356651520	QHFASJHNXWAWLY-KCJUWKMLSA-N	242.702	2.286	50	1	BEGF	
CCCCC[C@H]1C=C[C@@H](CCO)OO1	66258665	NTVYMEVEHCBOOJ-QWRGUYRKSA-N	200.278	2.204	50	1	BEGF	
C=C1C(C)=C(C#N)C(=O)N1[C@H]1C[C@@H]2CC[C@@H]1C2	101736713	MDEOLCVQZSSTKB-WZRBSPASSA-N	228.295	2.371	50	1	BEGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCCC[C@]13OO2	38153507	JNHCSROJNLHADZ-NOOOWODRSA-N	228.288	2.376	50	1	BEGF	
O=C(N/N=C\C=C/c1ccco1)c1ccccn1	15986423	HANYBAJJUQPCHB-RXUKWROMSA-N	241.250	2.104	50	1	BEGF	
CN(C)C[C@H]1CC[C@H](CN(C)C)SS1	103280442	RSSBUSVBHLUXMM-NXEZZACHSA-N	234.434	2.022	50	1	BEGF	
COc1cc(O)c2c(c1)[C@@H](Cl)[C@H](C)OC2=O	13459814	HRWTZNIONMJBRK-RRAGMBSWSA-N	242.658	2.240	50	1	BEGF	biogenic
CC1=CC(=O)C(/C(C)=C\C/C=C(\C)C=O)=CC1=O	238744628	TUGXTSKUBLGSJF-NJWBCTSZSA-N	244.290	2.493	50	1	BEGF	
C[C@@H]1C(=CC=O)C[C@@H]2O[C@H]3C(=O)[C@@]1(C)[C@@]2(C)[C@H]3C	2356673291	FOASRDYNANTUAV-IZQWYWGWSA-N	248.322	2.150	50	1	BEGF	
Cc1cncc2nc(CBr)[nH]c12	586972391	OYXVQEZFRKIBRI-UHFFFAOYSA-N	226.077	2.161	50	1	BEGF	
C=C(C#Cc1cc(Cl)ccc1OC)C=O	587898995	QLWCDYKUDFFUDJ-UHFFFAOYSA-N	220.655	2.455	50	1	BEGF	
O=C(CCl)c1ccc2[nH]c(O)cc2c1	200917457	TYDIPUYORZVLAF-UHFFFAOYSA-N	209.632	2.295	50	1	BEGF	
ClC[C@H](Cl)c1nc2cccnc2[nH]1	587008636	PWNFNWKNNMPNTR-YFKPBYRVSA-N	216.071	2.477	50	1	BEGF	
CC(=O)N/N=C1\CC(C)(C)[C@@H]2CC[C@H]1C2	5813498	WUEKNJXUHBWDRN-LVPYYYGJSA-N	208.305	2.325	50	1	BEGF	
C[C@H]1CC[C@H](NC(=O)N(CCCl)N=O)CC1	102955468	FVLVBPDQNARYJU-DTORHVGOSA-N	247.726	2.497	50	1	BEGF	
C1CC([C@@H]2OO[C@H](C3CCC3)[C@@H]3O[C@H]23)C1	38158600	DOWUEXUMQYAXGZ-IWDIQUIJSA-N	210.273	2.053	50	1	BEGF	
COC(C)=C(C#N)c1ccccc1[N+](=O)[O-]	2356872438	YHQNCTAMUBGFBL-UHFFFAOYSA-N	218.212	2.496	50	1	BEGF	
CC1(C)[C@H]2/C=C(/C=O)CC[C@H]3O[C@]3(C=O)CC[C@H]21	102154604	UOBZWMPWXPIGBV-MKGHMRODSA-N	248.322	2.294	50	1	BEGF	
CN1CCCC[C@H]1C1CSSC1	103280559	FVJLBIAIHJAXPA-VIFPVBQESA-N	203.376	2.482	50	1	BEGF	
Cl[C@@H]1C[C@@H](Br)C2=CCO[C@@H]2C1	2356508553	ZLVFPOXMCKFIOH-LPBLVHEISA-N	237.524	2.476	50	1	BEGF	
CC(C=O)=CCC=C(C)C1=CC(=O)C(C)=CC1=O	2356753110	TUGXTSKUBLGSJF-UHFFFAOYSA-N	244.290	2.493	50	1	BEGF	
CCO/C(O)=C(\C#N)c1cnc2ccccc2n1	101869136	PQCBMVOHQMFWHW-UKTHLTGXSA-N	241.250	2.416	50	1	BEGF	
Cc1cc(C)c2[nH]c([C@H](N)CCl)nc2c1	587010153	HEOHGWUYZNSIJI-MRVPVSSYSA-N	223.707	2.418	50	1	BEGF	
C=C1CC[C@@H]2[C@@H](C=C(C=O)CCC1=O)[C@]2(C)CO	2356727330	DSSKHUXSDPLUFL-UMVBOHGHSA-N	248.322	2.056	50	1	BEGF	
CO[C@@H]1O[C@]2(CF)CC[C@H]3CCCC[C@]31OO2	100991199	NMJYOCBKMCXIQW-KKOKHZNYSA-N	246.278	2.326	50	1	BEGF	
N[C@H](CCl)c1nc2cc(F)c(F)cc2[nH]1	587011718	UEJMXAADEGUANF-ZCFIWIBFSA-N	231.633	2.080	50	1	BEGF	
CC(C)[C@@H]1[C@H]2C[C@@]3(C)C(C=O)=CC[C@H]3[C@H]1C(=O)O2	2356561238	VUUDJWFHCPXMBE-BGPZULBFSA-N	248.322	2.355	50	1	BEGF	
CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21	253484586	IHLZMAMVGXEIGC-MJDLHHQISA-N	234.295	2.170	50	1	BEGF	
CC1=C[C@@H](O)C([C@H](C)CC/C=C(\C)C=O)=CC1=O	14496361	UZLYFZDXWGWUGA-BRZAVAFHSA-N	248.322	2.364	50	1	BEGF	endogenous,in-man
C[C@H](O)[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C	2356696697	MHYJCJBCANXJND-OUAUKWLOSA-N	248.439	2.386	50	1	BEGF	
CC/C(=N/NC(N)=O)[C@@H](C)CC=C(C)C	40863466	MCBUGSCYFMVYBK-FWSONLODSA-N	211.309	2.413	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@@]2(C)C[C@@H]3C=C[C@]12OO3	43938775	GJIMAPYWZKTGNB-UKJIMTQDSA-N	224.300	2.203	50	1	BEGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCCC[C@@]13OO2	100860114	JNHCSROJNLHADZ-RHYQMDGZSA-N	228.288	2.376	50	1	BEGF	
Cc1ccc(NP(=O)(N2CC2)N2CC2)cc1	70455329	BCWZSSQMWZZGBM-UHFFFAOYSA-N	237.243	2.146	50	1	BEGF	biogenic,in-vitro
CCNC(=O)C[C@@]1(C)CC2(CCCCC2)OO1	44387976	WDQWJAGZWSQXGH-LBPRGKRZSA-N	241.331	2.326	50	1	BEGF	
O=S=C(CCl)c1ccc(Cl)cc1	653793684	PWZFOSHRUFOAFR-UHFFFAOYSA-N	221.108	2.312	50	1	BEGF	
N#C/C(C(=O)Oc1ccccc1)=C1\C=CC=CN1	13125421	IJQKKPJSAKNJRZ-SEYXRHQNSA-N	238.246	2.043	50	3	BEGF	
CC[C@@H](C)/C=N/NC(=O)c1ccc(O)cc1	28863482	SZWOXAGXOCIVAM-TVNQGELYSA-N	220.272	2.154	50	1	BEGF	
CC(C=O)=C1C(=O)C[C@]1(C)[C@H]1CC(C)(C)CC1=O	2356854366	RNWUCASUYIJNMB-ZUZCIYMTSA-N	248.322	2.486	50	1	BEGF	
CC1(C)[C@@H](O)CC[C@@]2(C)C[C@H]3C=C[C@]12OO3	194983547	GJIMAPYWZKTGNB-URBCHYCLSA-N	224.300	2.203	50	1	BEGF	
CC=CC=CCC[C@@H]1NCC[C@H](Cl)[C@@H]1O	2356790912	GEGGODVKMZQIOL-SRVKXCTJSA-N	229.751	2.229	50	1	BEGF	
CSCS[S@@](=O)c1ccccn1	2356375583	DITAIUNGQQWDEA-GFCCVEGCSA-N	219.356	2.158	50	1	BEGF	
N#C/C(C(=O)Nc1ccccc1)=C(/O)C1CC1	38978142	ODGYCRANMNGGJW-QXMHVHEDSA-N	228.251	2.371	50	1	BEGF	
CC(C)[S@@](=O)CCCCN=C=S	96922881	BAXOKRWCEZXWMX-GFCCVEGCSA-N	205.348	2.027	50	1	BEGF	
O[C@H](CCl)CNc1cccc(Cl)c1	29126307	ASFMLBDJHGCHHN-SECBINFHSA-N	220.099	2.352	50	1	BEGF	
C[C@H]1C(=CC=O)C[C@@H]2O[C@@H]3C(=O)[C@@H](C)[C@]2(C)[C@]13C	2356415715	TVBJKONGMMNVLM-CWABAENDSA-N	248.322	2.150	50	1	BEGF	
C=CC[S@](=O)CC=CSSC	2356681915	AHJWMSQZOWKKJQ-NSHDSACASA-N	208.373	2.446	50	1	BEGF	
C=C1CC[C@@H]2[C@H](/C=C(/C=O)CCC1=O)[C@@]2(C)CO	14496324	DSSKHUXSDPLUFL-SBHPQNJWSA-N	248.322	2.056	50	1	BEGF	
Cc1cc2nc([C@H](N)CCl)[nH]c2cc1F	587009587	ABRPTCOLNRDTIG-SSDOTTSWSA-N	227.670	2.249	50	1	BEGF	
C/C=C/C#CC#CC#C[C@@H]1[C@@H](COC)[C@@H]1Cl	238743586	PTJMURWWHKKZJF-FGCBAJGYSA-N	232.710	2.073	50	1	BEGF	
C[C@H](Br)c1nc2cnccc2[nH]1	587008467	LGGIHRGQCPZIBK-YFKPBYRVSA-N	226.077	2.414	50	1	BEGF	
CCNC(=O)C[C@]1(C)CC2(CCCCC2)OO1	44387973	WDQWJAGZWSQXGH-GFCCVEGCSA-N	241.331	2.326	50	1	BEGF	
CO[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2	169314441	OXIYTJNOZQXQDD-LOWDOPEQSA-N	242.315	2.360	50	1	BEGF	
N#C/C(=C\c1ccccc1)c1nc2cncnc2[nH]1	587187487	IARIAZNVFNPNJI-IZZDOVSWSA-N	247.261	2.417	50	1	BEGF	
C/C(C=O)=C\C=C\[C@]1(C)CC[C@H](C(C)(C)O)O1	238787327	AHFPSTAAKRDXFK-GYLMXEEGSA-N	238.327	2.396	50	1	BEGF	
C[C@@H]1C=C(C=O)C(C=O)=C[C@@]2(O)CC(C)(C)C[C@@H]12	2356386914	ABDLNDXNWOFSAT-RIEGTJTDSA-N	248.322	2.054	50	1	BEGF	
ClC[C@H](Cl)c1nc2cnccc2[nH]1	587008662	QDSHCWCWOYEJEP-YFKPBYRVSA-N	216.071	2.477	50	1	BEGF	
Cc1cnc(Cl)c2[nH]c([C@H](N)CCl)nc12	587010151	HDFLQRMDCNYOKR-RXMQYKEDSA-N	245.113	2.158	50	1	BEGF	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc[nH]1	58625751	KKPRFKFPAVGANN-CXUHLZMHSA-N	245.257	2.308	50	1	BEGF	
O=NN(CCCl)C(=O)N[C@@H]1C=CCCC1	4963839	QRKPIRZTUBAFCF-MRVPVSSYSA-N	231.683	2.027	50	1	BEGF	
CC1(C)[C@H](O)CC[C@]2(C)C[C@@H]3CC[C@]12OO3	253695002	LYOJMOXGTZZPFW-YGNMPJRFSA-N	226.316	2.427	50	1	BEGF	
Cn1c(O)cc2cc(C(=O)CCl)ccc21	957584878	IBFGWRBODUEJAW-UHFFFAOYSA-N	223.659	2.305	50	1	BEGF	
C=C(C)[C@H]1C[C@@H]2OO[C@H]1C(OC(C)=O)=C2C	103287460	SJYNFEXOOFNDQP-JFGNBEQYSA-N	224.256	2.119	50	1	BEGF	
CCCNP(=O)([N@]1CC1(C)C)[N@]1CC1(C)C	1857564513	OYZIFORQTFNXMP-ZIAGYGMSSA-N	245.307	2.283	50	1	BEGF	
CC=C(C=O)c1c[nH]c2ccc(O)cc12	2356805788	ZXQOXITXQRFQQP-UHFFFAOYSA-N	201.225	2.476	50	1	BEGF	
CSCS[S@](=O)CSC	13378337	OLGUWIFTRJBTOD-SECBINFHSA-N	202.391	2.024	50	1	BEGF	biogenic
C#C[C@]12C=C(C#N)C(=O)C=C1C(C)(C)CC2	473136542	SGUQBHILIIKLEZ-AWEZNQCLSA-N	211.264	2.385	50	1	BEGF