smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1[C@H](c2ccccc2)[C@H]2c3ccccc3CCN12	6575659	YVSATFZLGPYTDN-HZPDHXFCSA-N	249.313	2.910	0	1	BFAF	
NP(=O)(OC1CCCC1)OC1CCCC1	16052087	BDYGAPLPLXNVSE-UHFFFAOYSA-N	233.248	2.972	0	1	BFAF	in-vitro
O=C(/C=C1\CCc2c(F)ccc(F)c21)NC1CC1	27332534	UIDUKBWVEYUQDX-BQYQJAHWSA-N	249.260	2.573	0	1	BFAF	
C[C@H]1CN=C(c2ccc(-c3ccccc3)o2)N1	35033798	BFCSKUXNFCRPQV-JTQLQIEISA-N	226.279	2.685	0	1	BFAF	
CCOc1ccc2ccc(=O)oc2c1C(=O)CC	64573465	LJTVZULEIDSNAK-UHFFFAOYSA-N	246.262	2.784	0	1	BFAF	in-vivo
O=C1CCC[C@H](c2nc3cccc(O)c3[nH]2)CC1	586886897	QTGDTSSPWZHSQS-VIFPVBQESA-N	244.294	2.885	0	1	BFAF	
Oc1nccc2nc(/C=C/c3ccsc3)[nH]c12	587026725	WZQOBLAJMFWOJI-OWOJBTEDSA-N	243.291	2.895	0	1	BFAF	
CC(=O)O[C@H](C)c1cc2c3c(cccc3n1)CC2	587212252	RINCOXSXQBHWES-SECBINFHSA-N	241.290	2.958	0	1	BFAF	
Cc1c(F)ccc2nc(C3CCC(N)CC3)[nH]c12	587256940	WIRKLIXOOHQRRT-UHFFFAOYSA-N	247.317	2.995	0	1	BFAF	
COc1cccc2c3c(ccc12)NC(=O)CC3	1857579164	PMODXTANUXWBMR-UHFFFAOYSA-N	227.263	2.733	0	1	BFAF	
CC1(C)CCC[C@](C)(O)[C@H]2CCC(CO)=C[C@@H]21	2356652810	QRYPQTUSGXZGNH-YDHLFZDLSA-N	238.371	2.892	0	1	BFAF	
Cc1ccc(NC(=O)[C@]2(C)CCCN2C)cc1C	61903622	YIZJNDIPDADENL-HNNXBMFYSA-N	246.354	2.726	0	3	BFAF	
Cc1ccccc1OC[C@@H](N)Cc1ccccc1	45484732	ROEAIDOFHFWWDF-HNNXBMFYSA-N	241.334	2.944	0	1	BFAF	
COC(=O)[C@H]1CC[C@@H](C)c2ccc(C)nc2C1	200015493	UCZKCDVFOFEBTO-KOLCDFICSA-N	233.311	2.619	0	1	BFAF	
COc1cccc2nc([C@H](C(C)C)N(C)C)[nH]c12	587199160	XTLUWRHLXNSXKE-ZDUSSCGKSA-N	247.342	2.830	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]1C)O2	587405931	OFDKAFPSEBVQIW-LKFCYVNXSA-N	231.295	2.711	0	1	BFAF	
Cc1cc2c(cc1O)C1=C(CC[C@H]2C)C(=O)OC1	1911572151	NSLDMERBYCKYNH-MRVPVSSYSA-N	244.290	2.908	0	1	BFAF	
C[C@H]1[C@H]2CC[C@@H](C)[C@@H]3CC=C4C(=O)O[C@@H]1[C@H]4[C@H]23	2356416653	BFNUVKSKPNBQRT-OFFNXJSNSA-N	232.323	2.786	0	1	BFAF	
CC(C)(O)C=CC[C@]1(C)[C@H]2CC[C@@]1(C)[C@@H](O)C2	2356529262	ZPMZHEDPVXDYLL-VIRABCJISA-N	238.371	2.891	0	1	BFAF	
CC(=CCCO)CCC=C(C)CCCO	2356801036	QKIBQVIRMUQLMR-UHFFFAOYSA-N	212.333	2.814	0	1	BFAF	
CC1=CC[C@@]2(O)[C@H]1C(=O)[C@@H](C(C)C)CC[C@H]2C	14454447	AOLHQRLQINUETQ-BHPKHCPMSA-N	236.355	2.955	0	1	BFAF	biogenic
Cc1ccc(O)c(C)c1C[C@H]1CC(=O)OC1(C)C	14583441	NTSBAYOUJHKJPT-NSHDSACASA-N	248.322	2.893	0	1	BFAF	biogenic
COc1c(OC)c(OC)c2ccccc2c1OC	14612259	LQQKULWAVYAOBB-UHFFFAOYSA-N	248.278	2.874	0	1	BFAF	biogenic
CC1=NC[C@H](c2ccc(Cl)cc2)CC(=O)O1	40423795	AMCCGUMHQCQCRY-SNVBAGLBSA-N	237.686	2.789	0	1	BFAF	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1N2C	100741910	IXBQQRJVGUUKAO-KLHDSHLOSA-N	243.350	2.842	0	1	BFAF	
Cc1c(F)sc([C@@H]2C=CNC=N2)c1C	218964673	OUESVILRUXCUOH-QMMMGPOBSA-N	210.277	2.690	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)cc2[nH]1	587960720	AIHLRWVCVMIKFD-RKDXNWHRSA-N	246.285	2.860	0	1	BFAF	
CC(=O)n1nc(C)c(-c2cccc(Cl)c2)c1N	1857774066	YPXQKEQSEMZXEP-UHFFFAOYSA-N	249.701	2.754	0	1	BFAF	
CC1(C)CCC[C@@H]2C3=C(C=C[C@@H]21)C(=O)OC3	2356423325	VCUNJMCXPFUODI-SKDRFNHKSA-N	218.296	2.852	0	1	BFAF	
CC[C@@H]1CCc2c(n(C)c3ccccc3c2=O)O1	345804	QWPPFJOKFAZOGR-SNVBAGLBSA-N	243.306	2.642	0	3	BFAF	
C[C@@]12CCCC(=O)[C@@H]1[C@]1(C)CC[C@H]2C(=O)C1	1708703	UEPGLNMUFRMDAW-VKKKGTNTSA-N	220.312	2.751	0	3	BFAF	
CN(C1=NCCO1)c1cccc2ccccc12	1638855	IPAHKTWWNUVYLX-UHFFFAOYSA-N	226.279	2.662	0	1	BFAF	
CN[C@@]12CCCC[C@H]1C[C@@H](O)c1ccccc12	29570928	JJMXINCNBCMRDO-GLQYFDAESA-N	231.339	2.729	0	1	BFAF	
Clc1cccc([C@H]2CC=CCNC2)c1	95585404	NWTJKIVXQLVNCQ-NSHDSACASA-N	207.704	2.973	0	1	BFAF	
CN1[C@H]2CC[C@@H]1C[C@@H](Oc1ccccc1)C2	101387128	SYNKGZURWSKSDC-DABQJJPHSA-N	217.312	2.691	0	1	BFAF	
O=N[C@@H]1CCCc2cc3c(cc21)OCCO3	169727120	RKIHRNKUXIHURO-SNVBAGLBSA-N	219.240	2.602	0	1	BFAF	
N#Cc1ccc(-c2ccc3oc(=O)ccc3c2)[nH]1	199170457	TUKRWKJJSRKXRW-UHFFFAOYSA-N	236.230	2.660	0	1	BFAF	
COC(OC)c1cc2c3c(cccc3n1)CC2	587212616	UANXDXOCJLWSGK-UHFFFAOYSA-N	229.279	2.625	0	1	BFAF	
C[C@H]1[C@H]2Cc3ccc(F)cc3[C@@]1(C)CCN2C	169346429	PYEHRUAXABWJJD-VQISRLSMSA-N	233.330	2.980	0	1	BFAF	
Oc1cc2c(cc1Cl)C[C@H]1CCCN[C@@H]21	299832887	XHDNAIUOGWZVTP-JMCQJSRRSA-N	223.703	2.642	0	1	BFAF	
O=C1CCCc2c1nc1cccc3c1c2CC3	587214708	DJYBFCVKXNZBNL-UHFFFAOYSA-N	223.275	2.852	0	1	BFAF	
CC[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1	587954980	DNXOXMPREDJKIQ-VIFPVBQESA-N	245.326	2.778	0	1	BFAF	
CC(C)CCC(=O)OC1C[C@@H]2CC[C@H](C1)N2C	2356315829	UWZOLNFVSNGDOA-FUNVUKJBSA-N	239.359	2.591	0	1	BFAF	
O=C1C=C(c2ccccc2)OC2(CCCC2)O1	203617	VYSONBIBDCIMGN-UHFFFAOYSA-N	230.263	2.871	0	3	BFAF	
CCOc1cccc(-c2ccc3nncn3c2)c1	61927098	KMPGVXHDYIMZEF-UHFFFAOYSA-N	239.278	2.795	0	3	BFAF	
CC(C)Cc1ccc([C@@H](C)NC(=O)NO)cc1	11686393	VFUAHIKHBFPNJL-SNVBAGLBSA-N	236.315	2.635	0	1	BFAF	in-vivo
C[C@@H]1CCCC2=C[C@@H]3OC[C@](C)(O)[C@@H]3C[C@]21C	13415109	HCNNHGMVCVVVJS-IKSZGEOFSA-N	236.355	2.909	0	1	BFAF	biogenic
C1C[C@H]2CCCN3[C@H]4CCCCN4C[C@H](C1)[C@@H]23	19323491	ZUZDBCDZKDLXPJ-ZQDZILKHSA-N	234.387	2.693	0	1	BFAF	
CN[C@@]12CCCC[C@H]1Cc1ccc(OC)cc12	27742110	YNPJHPVRCSPJRY-WFASDCNBSA-N	231.339	2.856	0	1	BFAF	
Cc1ccc(C)c(C(=O)OC2CCN(C)CC2)c1	29322184	YEWWIOMRBJVEOU-UHFFFAOYSA-N	247.338	2.554	0	1	BFAF	
C[C@H](CCCCCCn1ccnc1)C(=O)O	36242091	GLJGVSODTAYNOF-LLVKDONJSA-N	224.304	2.554	0	1	BFAF	
CCC1OCC([C@@H](c2ccccc2)N(C)C)CO1	39215623	YSELIXSVKNUDJF-YMAMQOFZSA-N	249.354	2.688	0	1	BFAF	
C/C=C\c1c(OC)cc(OC)cc1OC	71404555	YBMDBMYALSGVCL-WAYWQWQTSA-N	208.257	2.746	0	1	BFAF	
CC[C@H](C)Oc1nccc2c1C(C1CC1)=NC2	96175970	KTTXKGSCLQOCIK-VIFPVBQESA-N	230.311	2.972	0	1	BFAF	
C1CCN2C[C@H]3CCC[C@H]4CCCN([C@H]2C1)[C@H]43	136280789	ZUZDBCDZKDLXPJ-LJISPDSOSA-N	234.387	2.693	0	1	BFAF	
CN1CCC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C1	169368897	YXIUYPRXQHZXHQ-YCQMLSDISA-N	205.345	2.764	0	1	BFAF	
C[C@]1(CO)C[C@H]2CC(CO)=C3CC[C@]3(C)[C@H]2C1	238748114	DWHWSBKMAVYZBO-KJEVXHAQSA-N	236.355	2.504	0	1	BFAF	
Cc1ncc(-c2ccncc2)c(C2CC2)n1	299834332	SKRIEWULDWELFO-UHFFFAOYSA-N	211.268	2.724	0	1	BFAF	
CCc1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2c1	587966986	FSFPDNRSUUOGCK-GGWOSOGESA-N	242.278	2.779	0	1	BFAF	
CN(C)C[C@@H]1C[C@@H]1c1cncc2ccccc12	28960176	LOCUTCDCZZSFNM-JSGCOSHPSA-N	226.323	2.900	0	1	BFAF	
COc1cncc(/C=C/c2ccncc2)c1	38458021	UPWCZNHPRXLPCZ-NSCUHMNNSA-N	212.252	2.656	0	1	BFAF	
CCCCn1[nH]c2c(cnc3ccccc32)c1=O	139638863	MVQSYQAIVUCURA-UHFFFAOYSA-N	241.294	2.678	0	1	BFAF	
O=C(c1ncnc2[nH]ccc12)C1CCCCC1	205394543	LXLUYBJECKDFAP-UHFFFAOYSA-N	229.283	2.721	0	1	BFAF	
CO[C@@H]1C=C[C@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@@]21O	2356616776	GPHREGVQROBXIU-MFYZAHMOSA-N	248.366	2.765	0	1	BFAF	
Oc1[nH]c2ccccc2c1C1=NCCCC1	5157633	LSNJKBDFWVOLQQ-UHFFFAOYSA-N	214.268	2.847	0	1	BFAF	
Cc1cc(O)cc2c1C[C@@H]1[C@@H](C)CO[C@]1(C)O2	13309977	AYWHVIHSUTWUCM-MRCXROJRSA-N	234.295	2.634	0	1	BFAF	biogenic
O=C(CCc1ccc(O)cc1)c1ccccc1O	34345402	XDTIWXQUWIKIMB-UHFFFAOYSA-N	242.274	2.913	0	1	BFAF	
C[C@@H]1c2nc3cc4[nH]ncc4cc3nc2C[C@H]1C	64448532	AZQHPOXMLSDBTK-SFYZADRCSA-N	238.294	2.802	0	1	BFAF	
C[C@@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1[C@H]3O	2356376471	SWPQNHOZMJNCGC-GVKWNSGLSA-N	238.371	2.581	0	1	BFAF	
CC(C)Cn1cc(-c2cccc3nccn23)cn1	61897009	NJZVACPDMLMKSX-UHFFFAOYSA-N	240.310	2.854	0	3	BFAF	
CC(C)=CCc1cc(/C=C/C(=O)O)ccc1O	5159004	HZKNHDLUFBYIQN-VMPITWQZSA-N	232.279	2.999	0	1	BFAF	biogenic
COc1cc2oc(C(C)=O)cc2cc1[C@@H](C)O	13306433	WAFNVCOPZBETII-SSDOTTSWSA-N	234.251	2.697	0	1	BFAF	biogenic
COc1ccc2c(c1O)-c1c(O)cccc1CC2	14651104	LAUAVZVVTPWDRH-UHFFFAOYSA-N	242.274	2.872	0	1	BFAF	biogenic
C/C=C1/C[C@H]2C=Nc3ccccc3C(=O)N2C1	14680716	GYUDGZRJHSDPLH-HKTIAHBFSA-N	226.279	2.563	0	1	BFAF	in-vitro
c1ccc2cc(OCN3CCOCC3)ccc2c1	26673520	NKPZJOFQPSQAIC-UHFFFAOYSA-N	243.306	2.508	0	1	BFAF	
CCCN(C)[C@H]1CCCc2ccncc21	27196562	XQNVAMDLGUDXMK-ZDUSSCGKSA-N	204.317	2.801	0	1	BFAF	
Cc1cccc(NN2C(S)=N[C@@H](C)[C@H]2C)c1	29327938	WKKUIGXNOHDZNU-VHSXEESVSA-N	235.356	2.700	0	1	BFAF	
Cc1ccc(-n2nc3ncccc3c2O)cc1C	103537465	IZMSDAKJQIRWCO-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
CCN[C@H]1[C@H]2[C@H]3[C@@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@]12CC	169358976	JWACGMVTPOOTMF-LMKIZSGESA-N	217.356	2.523	0	1	BFAF	
CCCC/C=C\c1nc2cc(=N)[nH]cc2[nH]1	587965973	RFXOMONWQMQRQG-WAYWQWQTSA-N	216.288	2.574	0	1	BFAF	
Cc1cc(O)c(C)c2c1CC[C@@H]1[C@@H]2O[C@@H](O)[C@@H]1C	1772647429	JBCANCDJOKSTJJ-OYADJFAXSA-N	248.322	2.597	0	1	BFAF	
C[C@@]1(CO)C[C@H]2[C@@H](CC(CO)=C3CC[C@]32C)C1	2356558570	DWHWSBKMAVYZBO-FBUXBERBSA-N	236.355	2.504	0	1	BFAF	
CC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)[C@@H](O)C[C@H]2C	2356617165	TUNSMPIPYQKPSQ-FQKPHLNHSA-N	238.371	2.747	0	1	BFAF	
CCCN(CCC)[C@H]1CCn2c(C=O)ccc2C1	13642125	RIOOLQVLOZQLQJ-ZDUSSCGKSA-N	248.370	2.737	0	1	BFAF	
COc1c2c(cc(O)c1-c1ccccc1)OCO2	25980707	DPEOKMXBIWIIGC-UHFFFAOYSA-N	244.246	2.797	0	1	BFAF	
CC1(C)CC2=C(CO)[C@H]3CC[C@@]3(C)[C@@H](O)[C@@H]2C1	85592886	RDBDDPQEJFQZDZ-IKVITTDRSA-N	236.355	2.502	0	1	BFAF	
COc1cc(/C=C/c2cccc(=O)o2)ccc1O	212489589	PLGPNUVAFQBTFC-FNORWQNLSA-N	244.246	2.524	0	1	BFAF	
CCn1c(CC(C)C)nc2ccsc2c1=O	299867104	PWJANYGYRSPSAC-UHFFFAOYSA-N	236.340	2.676	0	1	BFAF	
Cc1cc2c(c(C)c1CCO)CC(C)(C)C2=O	14516104	NUFTYHHRGFEVPH-UHFFFAOYSA-N	232.323	2.603	0	1	BFAF	biogenic
c1ccc2c(N3CCOCC3)csc2c1	38884989	KAVVKSVOHIAWDY-UHFFFAOYSA-N	219.309	2.738	0	1	BFAF	
Nc1cccc2c(=O)[nH]c(-c3cccs3)cc12	96282489	INTOBQBKQVZYNK-UHFFFAOYSA-N	242.303	2.839	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CC[C@H]21	169312837	WIKOGZYEVQUKEV-HTKHVQBFSA-N	236.355	2.789	0	1	BFAF	
COC(=O)/C=C\[C@H]1c2ccccc2[C@@H](OC)[C@@H]1C	169355614	CMKYBWAWPBVWFW-KHEOLNJTSA-N	246.306	2.837	0	1	BFAF	
Oc1cccc2nc(-c3ncccc3Cl)[nH]c12	587064527	CKDURUFJLNSJQH-UHFFFAOYSA-N	245.669	2.984	0	1	BFAF	
N=c1ccc(-c2cc3c4c(cccc4n2)CC3)c[nH]1	587211844	XMRZQSMNHDCRBW-UHFFFAOYSA-N	247.301	2.808	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)CCC(CO)=C[C@@H]12	2356511782	IDZQOYPXKXBZAG-AJNGGQMLSA-N	238.371	2.748	0	1	BFAF	
CC=C[C@@H]1C[C@H](C)[C@@]2(C=C[C@@](C)(O)CC2)O1	2356867465	WRZUFIHOTBWJST-DGAVXFQQSA-N	222.328	2.827	0	1	BFAF	
COC(=O)CC[C@@H]1C(=S)N(C)c2ccccc21	13832581	XUVRAMTZZUYTTG-JTQLQIEISA-N	249.335	2.501	0	1	BFAF	
CCCN[C@H](C)C(=O)c1cccc(Cl)c1	45245762	PJSOCXYIJJIWHO-SECBINFHSA-N	225.719	2.911	0	1	BFAF	in-vitro
c1ccc(-c2cc(-n3cccc3)ccn2)nc1	136184090	CFVCUTBPMWHETK-UHFFFAOYSA-N	221.263	2.934	0	1	BFAF	
CN1C=CN(CCCc2ccccc2)/C1=C/N=O	377848857	RFYVINPFOQILHC-WYMLVPIESA-N	243.310	2.903	0	1	BFAF	
CC[C@@H](C)c1nc2ccc(CO)cc2[nH]1	587956233	OUWKBSZTFBEUMZ-MRVPVSSYSA-N	204.273	2.569	0	1	BFAF	
CN1CCc2cc(O)ccc2[C@H]1c1ccccc1	13739900	SEOCRZIFZOBRNU-MRXNPFEDSA-N	239.318	2.970	0	1	BFAF	
CC(C)CC(=O)[C@@H](O)Cc1c[nH]c2ccccc12	14691791	AYJJYONYYXAVTL-HNNXBMFYSA-N	245.322	2.687	0	1	BFAF	biogenic
C[C@H](c1cc2ccsc2s1)N(O)C(N)=O	26146860	MPKUBEKKAWQRAF-RXMQYKEDSA-N	242.325	2.794	0	1	BFAF	
CN1CCC[C@@H]1Cc1c[nH]c2cc(O)ccc12	27418281	FQBIMXGNFGCBJM-LLVKDONJSA-N	230.311	2.510	0	1	BFAF	
CCc1nc2cc3c(cc2o1)[C@@H]1CNC[C@@H]3C1	100263955	WJCOITLYDIUVCM-IUCAKERBSA-N	228.295	2.564	0	1	BFAF	
C[C@]12N[C@@H](c3ccccc31)[C@H](O)c1ccccc12	100649168	ICNAEBGGDVSIIR-XHSDSOJGSA-N	237.302	2.641	0	1	BFAF	
C/C=C/CCC(=O)c1ccc(O)c(C)c1O	238759512	QIOAHIHDYLMQLI-ONEGZZNKSA-N	220.268	2.945	0	1	BFAF	
Cc1c(F)ccc2c1C1(CC=CC1)NCC2	962141010	APIVXGGSADCELX-UHFFFAOYSA-N	217.287	2.825	0	1	BFAF	
C[C@H](CC(=O)O)n1ncc2ccc(Cl)cc21	1772614276	PHJJNDVAXFAROR-SSDOTTSWSA-N	238.674	2.725	0	1	BFAF	
C[C@H](c1ccc(C=O)cc1)[C@H]1[C@H]2C=C[C@H]3[C@@H](C2)[N@@]31	2356373356	YOMXBMKPPPTBGZ-RRHNNAFRSA-N	239.318	2.614	0	1	BFAF	
Cc1cc2c3c(coc3c1)[C@H](O)[C@@H](O)[C@@H]2C(C)C	2356698747	MINGOCHWARMETQ-SNPRPXQTSA-N	246.306	2.889	0	1	BFAF	
Cc1ccc2c(c1)CC[C@@H]1[C@@H]2CCC(=O)N1C	13861378	XDOWUVXUVBBNIH-ZIAGYGMSSA-N	229.323	2.646	0	1	BFAF	
Cc1ccc(-c2nnc3cc(C)nc(C)n23)cc1	42921625	BICKBJHXAVODDK-UHFFFAOYSA-N	238.294	2.717	0	1	BFAF	
Clc1ccc([C@@H]2C[C@@H]3CC[C@@H]2CN3)cn1	100057742	VFQOGPACCHRZIN-DVVUODLYSA-N	222.719	2.591	0	1	BFAF	
C[C@H](SC[C@@H]1CC[C@@H]2C[C@@H]1C2(C)C)C(N)=O	102953584	NKUFVXRKKRVOQA-MMWGEVLESA-N	241.400	2.666	0	1	BFAF	
CCCC(=O)OCCCCCOC(=O)CCC	103276325	BRNLUFIKYOQVPW-UHFFFAOYSA-N	244.331	2.843	0	1	BFAF	
Cc1cccc2c1NC(=O)/C2=C\c1ccc[nH]1	14962775	VEOLIGWNMBZLGI-WQLSENKSSA-N	224.263	2.816	0	1	BFAF	
O=c1ccc2cc(-c3ccncc3)ccc2[nH]1	26168768	KCOOTKBLYMFIMO-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
CC(=O)OC[C@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	100050358	TXFBASMXWNIAGS-NZEXEKPDSA-N	208.301	2.622	0	1	BFAF	
CCOC(=O)C[C@H](c1ccccc1)[C@@H](C)N=O	169690127	ZFNVLHCLZAHKKO-PWSUYJOCSA-N	235.283	2.878	0	1	BFAF	
CC1=CCC[C@@H]2[C@H]1[C@@](C)(CO)CCC[C@]2(C)O	238741029	FFRRKJRZQUGBSK-BARDWOONSA-N	238.371	2.892	0	1	BFAF	
Nc1ccnc2[nH]c(C3(F)CCCCC3)nc12	587132199	MPXXIQQCOHFTAP-UHFFFAOYSA-N	234.278	2.669	0	1	BFAF	
NC(=S)c1cccc(-c2ccc(O)cc2F)c1	1857588597	XEDBPDRHBVCIIE-UHFFFAOYSA-N	247.294	2.833	0	1	BFAF	
Cc1cc(=O)c(C(C)C)cc2c1CC[C@]2(C)O	1857747304	AGLGNIQPANSTGQ-HNNXBMFYSA-N	232.323	2.632	0	1	BFAF	
C[C@@H]1[C@@H]2OC(=O)C3=CC[C@H]4[C@H](C)CC[C@H]1[C@@H]4[C@@H]32	2356416651	BFNUVKSKPNBQRT-GTEQGRQASA-N	232.323	2.786	0	1	BFAF	
C1=C(Cc2ccccc2)CC[N+](C2CC2)=C1	27197449	HAECFNARZHEOMN-UHFFFAOYSA-N	212.316	2.805	0	1	BFAF	
COc1cc2nc(C3=COCC3)[nH]c2cc1C	586912587	IOJQFRIWKVYXJW-UHFFFAOYSA-N	230.267	2.641	0	1	BFAF	
NNc1cccc(C=Cc2ccccc2)cc1=O	1857622917	SUNOPNYHLKRKHR-UHFFFAOYSA-N	238.290	2.503	0	1	BFAF	
CC(C)Cc1ccc([C@H](C)C2(O)COC2)cc1	1857644630	NKVCYARLQBRGJA-LBPRGKRZSA-N	234.339	2.750	0	1	BFAF	
CC1=CC[C@H](O)[C@]2(C)Cc3occ(C)c3C(=O)[C@H]12	2356495219	JYWURVVLRXXLFU-WHOFXGATSA-N	246.306	2.660	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]1(O)C3	2356557290	IPUFFAVJUSCNSW-XSXPHNMFSA-N	238.371	2.725	0	1	BFAF	
COc1cc2oc(C(C)C)cc(=O)c2c(O)c1C	13329132	WRCVAPFLHBXILQ-UHFFFAOYSA-N	248.278	2.939	0	1	BFAF	biogenic
CCCc1cncc([C@H]2CCCN2C)c1	28525452	HDNVCFZMZRSBIR-CYBMUJFWSA-N	204.317	2.801	0	1	BFAF	
COc1cc2c(cc1OC)[C@H]1CC[C@H]2N1N=O	101732692	ARPRXARBVQZNJI-NXEZZACHSA-N	234.255	2.577	0	1	BFAF	
O=C1C=C2CCCCC(Br)=C2O1	103266106	WRQUBSYEFQXMSH-UHFFFAOYSA-N	229.073	2.650	0	1	BFAF	
C/C=C(/C)[C@@H](O)C[Si](C)(C)c1ccccc1	195453466	ZYNXCXLVQLRELY-VDFGQWLZSA-N	234.415	2.929	0	1	BFAF	
C[C@@H]1C(=O)[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)CC[C@@]12O	2356451966	YFIXPNVIFRNVFU-HFLGISGGSA-N	236.355	2.789	0	1	BFAF	
CC(C)[C@@H](N)c1csc(Nc2ccccn2)n1	61908018	ZVTZBOJVXHDEJS-LLVKDONJSA-N	248.355	2.938	0	3	BFAF	
Cc1c(C)c2c(c(C)c1O)[C@@H](CO)C(C)(C)O2	17055	MSIJLGOIJYRGIE-SNVBAGLBSA-N	236.311	2.564	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)C[C@@]2(O)CC[C@H]1O	31861486	SFJOMLIUSIKKRA-FWZIUSJTSA-N	238.371	2.725	0	1	BFAF	
C=C(C)c1cc2cc(C=O)c(O)cc2o1	40845624	CTPCGXNYDOQQEK-UHFFFAOYSA-N	202.209	2.984	0	1	BFAF	
COc1cccc(/C(C)=C/CN(C)C)c1	73163026	LNOISZZIOWKDQV-DHZHZOJOSA-N	205.301	2.660	0	1	BFAF	
O=NCc1ccc(OCCCc2cnc[nH]2)cc1	169716533	GAYANMWIGORMRZ-UHFFFAOYSA-N	245.282	2.688	0	1	BFAF	
O=c1ccn(C23CC4CC(CC(C4)C2)C3)cc1	1857765184	UYAZPDFCFYIKQR-UHFFFAOYSA-N	229.323	2.774	0	1	BFAF	
CC1(C)CCC[C@H]2C3=C(C=C[C@H]21)C(=O)OC3	2356423324	VCUNJMCXPFUODI-JOYOIKCWSA-N	218.296	2.852	0	1	BFAF	
CC1(C)[C@H](O)C[C@]23CCC[C@](C)(C[C@@H](O)[C@@H]12)C3	16958669	XUAASKRYNOBPBG-AMVBZWJASA-N	238.371	2.725	0	1	BFAF	
CCCCNc1ccnc(-c2ccncc2)n1	27901962	URPKYGAHZMSAQH-UHFFFAOYSA-N	228.299	2.751	0	1	BFAF	
COc1ccc2c(c1)Sc1nccnc1N2C	34142086	CIGRQOLRMBHLCZ-UHFFFAOYSA-N	245.307	2.718	0	1	BFAF	
COc1cc2c(cc1OC)C1(CCCC1)C(N)=N2	103244967	NWCQXXUYNSLUCG-UHFFFAOYSA-N	246.310	2.518	0	1	BFAF	
CCSc1n[nH]c2c3ccccc3nc-2n1	104102070	YIOIBACSHIGICW-UHFFFAOYSA-N	230.296	2.570	0	1	BFAF	
CC(C)[C@](C)(O)c1nc2cc(F)c(F)cc2[nH]1	586885401	BIGGRWMFZBFQRN-LBPRGKRZSA-N	240.253	2.705	0	1	BFAF	
Fc1ccc([C@@H]2NN=C3CCC[C@H]32)cc1	1857539643	CDONTVCPPIMHIW-PWSUYJOCSA-N	204.248	2.626	0	1	BFAF	
Cc1ccc2c(c1)C(=CC(C)C)C[C@]2(O)CO	2356712376	AKXHNODNODMVJN-HNNXBMFYSA-N	232.323	2.618	0	1	BFAF	
CC1=C(CO)[C@]2(C)CCCC(C)(C)[C@@H]2C[C@H]1O	2356766650	SVWKODBBWFMLHM-IPYPFGDCSA-N	238.371	2.892	0	1	BFAF	
COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1	3779247	MKEGUJPBCIXABO-GFCCVEGCSA-N	244.338	2.813	0	1	BFAF	
C/C=C(/C)C(=O)Oc1cc(C)ccc1[C@H](C)CO	14588607	WLQGAANKDYIUIO-DKRCXCIFSA-N	248.322	2.962	0	1	BFAF	
CN1[C@H]2CC[C@@H]1[C@@H](c1ccc(F)cc1)C2	27422818	BXGWCQDCHRVLAK-YNEHKIRRSA-N	205.276	2.776	0	1	BFAF	
OCc1cccc2c1Nc1ccccc1N2	238737499	ZJQLXHKDDHPJDV-UHFFFAOYSA-N	212.252	2.980	0	1	BFAF	
O=C(NCc1ccco1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21	252644145	ZZYJXLSLHDDCAV-HZSPNIEDSA-N	245.322	2.888	0	1	BFAF	
CN[C@]12CCCC[C@@H]1Cc1cc(OC)ccc12	27742080	OZGFUUQXLIIVPN-IUODEOHRSA-N	231.339	2.856	0	1	BFAF	
Cc1cccc(C[C@@]2(C)SC(=O)[C@@H](C)C2=O)c1	169719241	CHLBSFMJNDDPFR-IINYFYTJSA-N	248.347	2.775	0	1	BFAF	
CC1=C[C@@H]2[C@H](CC1)[C@@](C)(O)CC[C@H]2C(C)(C)O	238749498	XOUUSQWJTXEKIT-XFMPKHEZSA-N	238.371	2.891	0	1	BFAF	
COc1cccc([C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CN)c1	253637812	LHKRTBGXNVJRCO-OBCWZRDOSA-N	231.339	2.784	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(OC)nc2[nH]1	586893339	XJBGEEZAPDLOFV-OQPBUACISA-N	231.299	2.870	0	1	BFAF	
Cc1c(F)ccc2c1[C@]1(CCOC[C@H]1C)NCC2	962303945	YPDNWZYHSKHUMJ-MEBBXXQBSA-N	249.329	2.532	0	1	BFAF	
CC(=O)CCCC(C)=C[C@H]1CC(C)=CC(=O)O1	2356406432	WJGICUNWMSIRJO-ZDUSSCGKSA-N	236.311	2.954	0	1	BFAF	
COc1ccc([C@@H]2[C@@H](CN)[C@H]3CC[C@@H]2C3)cc1	27997819	KMHOEPPHTBTLAR-NEBZKDRISA-N	231.339	2.784	0	1	BFAF	
CNC1=Nc2ccc(Cl)c(Cl)c2[C@@H](C)N1	29131609	QZNXPVYAMUSJAD-RXMQYKEDSA-N	244.125	2.865	0	1	BFAF	
CC(=O)Nc1c(C)[nH]c2cccc(F)c12	587635327	JXQBVXAZXIWOBO-UHFFFAOYSA-N	206.220	2.574	0	1	BFAF	
Fc1cccc(-c2cccc3ncnn23)c1	1239535166	JDBLBZGXSZZRHO-UHFFFAOYSA-N	213.215	2.535	0	1	BFAF	
Nc1cc2nsnc2cc1-c1ccccc1	1857762457	FXRZUTWSDWQHIO-UHFFFAOYSA-N	227.292	2.941	0	1	BFAF	
CC1=C[C@@H]2[C@H](C[C@@H]1O)C(C)=CC[C@@H]2[C@@H](C)CO	2356526756	KOEIHUNMBSXMQT-QRTUWBSPSA-N	236.355	2.524	0	1	BFAF	
Cc1cccc(-c2cnc3cccnn23)c1	61903571	IDBFNKGJCWFBLV-UHFFFAOYSA-N	209.252	2.705	0	3	BFAF	
CCCN1CC[C@@H]2c3c(O)cccc3CC[C@@H]21	13826513	UVOXCNCVSFLEPX-STQMWFEESA-N	231.339	2.906	0	1	BFAF	
CC(C)[C@@H]1C=C2C(CO)=CC[C@H](O)[C@@]2(C)CC1	15206310	LDJXWXVSJIWCST-CQDKDKBSSA-N	236.355	2.668	0	1	BFAF	biogenic
CN1CCC=C2c3cccc4[nH]cc(c34)C[C@@H]21	33755716	AHFZNJIKXMBLTJ-AWEZNQCLSA-N	224.307	2.812	0	1	BFAF	
CC/C=C/C[C@](C)(O)c1ccc(O)cc1O	72170713	VOSNHFLKQCEUBW-IHVVCDCBSA-N	222.284	2.662	0	1	BFAF	
N=c1c2ccccc2nc2n1CCCCCC2	101097759	JMXRMRMGWCXWFG-UHFFFAOYSA-N	227.311	2.632	0	1	BFAF	
CN1CC[C@@]2(C)C[C@H]1Cc1ccccc12	101160078	ITHKRTOERRMJFA-OCCSQVGLSA-N	201.313	2.595	0	1	BFAF	
Clc1ccncc1C1=C[C@H]2CNC[C@H](C1)C2	101576654	BHFQBHBXODOWRO-UWVGGRQHSA-N	234.730	2.748	0	1	BFAF	
Clc1ncnc2c1ncn2[C@@H]1C[C@@H]2CC[C@@H]1C2	102967439	HCMOLGILLULWHJ-IWSPIJDZSA-N	248.717	2.841	0	1	BFAF	
CC1CCC2(CC1)SC(=N)NC2(C)C	1772650096	VCNWJLVKOBGABZ-UHFFFAOYSA-N	212.362	2.985	0	1	BFAF	
S=c1cc(-c2cnccn2)ss1	6119125	YSEILAPVYRXEGS-UHFFFAOYSA-N	212.324	2.996	0	1	BFAF	
CCCN(C)[C@@H]1CCCc2ccncc21	27196557	XQNVAMDLGUDXMK-CYBMUJFWSA-N	204.317	2.801	0	1	BFAF	
COC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc12	38192605	DDYYXTJVRZXHTJ-UHFFFAOYSA-N	244.225	2.642	0	1	BFAF	
O=c1oc(Br)cc2ccccc12	218848224	WQSORWJPYXXYEX-UHFFFAOYSA-N	225.041	2.556	0	1	BFAF	
CC(C)Cc1cc(O)c(-c2ccccn2)c(O)n1	653787777	XKXCBTKEQNQRSZ-UHFFFAOYSA-N	244.294	2.753	0	1	BFAF	
Cc1ccnc2c1CCN[C@]21C[C@H]2[C@@H](C1)C2(C)C	963069212	CWNHTTOTIBJODP-YWVIFJGQSA-N	242.366	2.797	0	1	BFAF	
C[C@@H](c1nccs1)c1ccc(O)cc1O	147041637	SXJUUBNAKFAGIA-SSDOTTSWSA-N	221.281	2.706	0	1	BFAF	
COc1nccc2nc(C=C3CCC3)[nH]c12	587964576	DBARZZHXGZCXGK-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
Cc1c(O)[nH]c2ccc(Br)cc12	957575432	FBKLHGZIRKLBIN-UHFFFAOYSA-N	226.073	2.944	0	1	BFAF	
COc1ccc(-c2cncn2C2CC2)c(OC)c1	1911584548	CODLZGDRCBHSTR-UHFFFAOYSA-N	244.294	2.902	0	1	BFAF	
O=C1C=CC[C@@H]2[C@@H]3CCC[C@@H]4CCC[C@H](CN12)[C@H]43	2356573284	IGXQFUGORDJEST-QKDZRIPBSA-N	245.366	2.990	0	1	BFAF	
CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C(=O)CC(C)=CCC1	2356577849	URFIRNUWJNYBPE-KWCYVHTRSA-N	248.322	2.810	0	1	BFAF	
CC1=C(O)C[C@H](CCCC(C)C)OC1=O	2356712364	ADZBOAAUWYXFIU-JTQLQIEISA-N	212.289	2.960	0	1	BFAF	
Cc1cccc(Sc2c(C)c[nH]c(=O)c2N)c1	5892725	XGIPVPLZMWXFQB-UHFFFAOYSA-N	246.335	2.725	0	1	BFAF	
C[C@H](C(N)=O)c1ccc(-c2ccccc2)cc1	13589343	SBTKAQUIGOHIDJ-NSHDSACASA-N	225.291	2.942	0	1	BFAF	
CC1=C[C@@H]2CC=C(C(=O)O)[C@H]2[C@H](CC(C)C)C1=O	14883259	PAAFIIOBYWWYMS-DRZSPHRISA-N	248.322	2.825	0	1	BFAF	biogenic
O=c1c2ccccc2nc2n1CCCCCC2	29330611	RJDGOLWDHKFBOF-UHFFFAOYSA-N	228.295	2.513	0	1	BFAF	
Clc1cc2c(cn1)[C@@H]1C[C@@H]3CC[C@@H]1N3C2	101156055	QNJFYQBMHLYGPU-QXEWZRGKSA-N	220.703	2.569	0	1	BFAF	
C/C(CO)=C1/CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]13	104373007	VCKNBYBUMOAFMV-JMYHDHQFSA-N	236.355	2.502	0	1	BFAF	in-man
C[C@@H]1C(=O)S[C@@](C)(C2CCCCC2)C1=O	169719312	NSUIPHZSGVWZPD-UFBFGSQYSA-N	226.341	2.804	0	1	BFAF	
NC(=S)c1ccc(-c2ccc(O)cc2)s1	1857592106	HWJAHEVTTSJJQH-UHFFFAOYSA-N	235.333	2.755	0	1	BFAF	
N=C(N)Nc1cccc(-c2cccc(Cl)c2)n1	1857748480	JOWPTIYATWPRKP-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
COCCCCCCCC[C@H](O)CCC(=O)O	6482961	XAJUEKDFUPPVCT-LBPRGKRZSA-N	246.347	2.589	0	1	BFAF	
Nc1ncc(-c2ccccc2)c(-c2ccncc2)n1	139182033	QMHRJPNUIVAADF-UHFFFAOYSA-N	248.289	2.788	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(OC)ncc2[nH]1	586890749	OZXIYLJZIBFUQG-SDBXPKJASA-N	231.299	2.870	0	1	BFAF	
COC(=O)C=C[C@@H]1c2ccccc2[C@H](OC)[C@H]1C	1857623100	CMKYBWAWPBVWFW-ZIBATOQPSA-N	246.306	2.837	0	1	BFAF	
Cc1cccc2c3c(c(C(=O)O)nc12)CCC3	1911584554	DFNACRBUFJSJII-UHFFFAOYSA-N	227.263	2.730	0	1	BFAF	
CC(C)=CCc1ccc(O)c2c1[C@@H](CCO)OC2	2356810687	BAJZDUQKKCNBKU-CQSZACIVSA-N	248.322	2.855	0	1	BFAF	
O=C1c2ccccc2C(=S)N1[C@H]1C=CCCC1	13529783	YAUJHPIQPBIXQI-JTQLQIEISA-N	243.331	2.927	0	1	BFAF	
CCCN(CCC)[C@H]1CCc2nc(N)ccc2C1	13742652	QDXLLGQCGFUDMI-ZDUSSCGKSA-N	247.386	2.643	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(N)CCCC[C@H]1CC2	13831972	IDMWBLWTWIEBSD-SWLSCSKDSA-N	231.339	2.986	0	1	BFAF	
C[C@H]1CCCC(C)(C)[C@@]1(O)/C=C/C=C\C(=O)O	28564653	XRNXMVZXLFUIQI-RPMWBOEFSA-N	238.327	2.761	0	1	BFAF	
O=c1c(-c2ccc(O)cc2)c[nH]c2ccccc12	40402085	NDYGOMLPGUYVNV-UHFFFAOYSA-N	237.258	2.901	0	1	BFAF	
COc1cccc([C@@H]2CN3CCCC[C@H]3CO2)c1	299846627	IALDDQHJTXUTIC-ZFWWWQNUSA-N	247.338	2.621	0	1	BFAF	
CCc1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1	586893512	ZTOTYXWYQVDKCD-CQSZACIVSA-N	232.327	2.989	0	1	BFAF	
CCCCCC=CC=CC(=O)N1C=C[C@H](O)CC1	2356461765	SSQWFLRNRWVASI-AWEZNQCLSA-N	249.354	2.786	0	1	BFAF	
Cc1ccc([C@@H](C)O)cc2c(C=O)ccc1-2	2356842282	MMOCNRWMQYLWLE-SNVBAGLBSA-N	214.264	2.966	0	1	BFAF	
c1cc(-c2nsc(-c3ccncc3)n2)ccn1	1680284	RJDDHKWIIGWQNR-UHFFFAOYSA-N	240.291	2.662	0	3	BFAF	
Cn1cnc2c(/C=C/c3ccccc3)ncnc21	13608622	YOOHBZJWWCPNCO-BQYQJAHWSA-N	236.278	2.534	0	1	BFAF	
COc1ccc([C@H]2NN=C3CCCC[C@@H]32)cc1	43123091	MWWRTYAHWODDMB-GXTWGEPZSA-N	230.311	2.886	0	1	BFAF	
CC(C)CC[C@]1(C)SC(=O)[C@@H](C)C1=O	58555010	YGQAILHTORSALQ-KWQFWETISA-N	214.330	2.660	0	1	BFAF	
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC=C2[C@]34C1	141257418	XZMYQBCMWCZCML-FAXLKDOZSA-N	245.366	2.786	0	1	BFAF	
C/C=C/[S@@](=O)c1cc(O)c2ccccc2c1O	169729663	SVQSAMXHOBTIDV-WJCMJQHKSA-N	248.303	2.892	0	1	BFAF	
COC(=O)CC[C@@]12CC[C@@H](O1)c1ccccc12	1856912	RAEYJAPMCKFCSM-TZMCWYRMSA-N	232.279	2.700	0	1	BFAF	
Nc1ccc(-c2cccc3onc(N)c23)cc1	14975330	RBVHBTLBKSWXCF-UHFFFAOYSA-N	225.251	2.659	0	1	BFAF	
CC(C)=CC[C@@H](C)c1ncnc2nc[nH]c12	59064597	ARJBIAHZHYEFJG-SECBINFHSA-N	216.288	2.813	0	1	BFAF	in-vitro
Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1	72155789	BEVYCASQTPKVEG-UHFFFAOYSA-N	227.189	2.595	0	1	BFAF	
CC(C)C(CC[C@H](C)O)CC[C@H](C)O	85947934	UBXHRGCEAFKBFZ-QWRGUYRKSA-N	202.338	2.581	0	1	BFAF	
Clc1ccc([C@H]2CC[C@@H]3CC[C@@H]2N3)cn1	100011113	OPJHXZMPMOOVSN-MXWKQRLJSA-N	222.719	2.733	0	1	BFAF	
N#C/C=C/n1cnc(-c2cccc(Cl)c2)n1	115890559	YWGXCTCLIWNYDN-QHHAFSJGSA-N	230.658	2.593	0	1	BFAF	
CCCN(C)[C@H]1CCc2c(cccc2OC)C1	169331859	PCKLIPPEWJNYOU-ZDUSSCGKSA-N	233.355	2.894	0	1	BFAF	
COc1cn(C)c(C)c2nc3ccccc3c1-2	377806017	FHZNFBIQNMGRBU-UHFFFAOYSA-N	226.279	2.995	0	1	BFAF	
CCC[C@@H](c1nc2cc[nH]c(=N)c2[nH]1)C(C)C	587954958	CZJOOJWONJIFRD-SECBINFHSA-N	232.331	2.910	0	1	BFAF	
CNCCN1CCC(CCc2ccccc2)CC1	1235677006	VZZSAYLJCKTKMS-UHFFFAOYSA-N	246.398	2.551	0	1	BFAF	
O=c1ccc2ccc(-c3ccncc3)cc2o1	1239611891	POOPCMCJXQAZBF-UHFFFAOYSA-N	223.231	2.855	0	1	BFAF	
CC(=O)Oc1ccc2c(c1)[nH]c1c(C)nccc12	14489334	SFZZHOSLBHIXJJ-UHFFFAOYSA-N	240.262	2.950	0	1	BFAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C(=O)O)[C@@H]12	14493751	OZQBIBCVAYBUAR-KSFQGOMNSA-N	240.343	2.530	0	1	BFAF	biogenic
C[C@@]1(O)[C@H]2[C@H]3CC[C@@H]1[C@@]3(C)CCC[C@@]2(C)CO	238776590	TZDORNYDKTXNOL-UMBPPFEGSA-N	238.371	2.582	0	1	BFAF	
CN1CCC[C@@]2(c3cccc(O)c3)CC[C@H]1C2	299810653	RLQLFFYFXSNPRZ-DZGCQCFKSA-N	231.339	2.908	0	1	BFAF	
C[C@H]1CCC[C@H](NC(=O)c2ccncc2)[C@@H]1C	4672451	SHKLDZKVVIWFGH-LOWVWBTDSA-N	232.327	2.636	0	1	BFAF	
CC(=O)N1CC2(CC2)C[C@H]1c1ccccc1	7991692	HZBDOUQXXHFSFS-ZDUSSCGKSA-N	215.296	2.760	0	1	BFAF	
CSc1ccc(N2C[C@@H](C)OC2=O)cc1	11524427	UJQVVEDVOKWZFA-MRVPVSSYSA-N	223.297	2.754	0	1	BFAF	
NCCc1c[nH]c(-c2ccc3ccccc3c2)n1	13741035	YJNJIVKFVHIXIX-UHFFFAOYSA-N	237.306	2.731	0	1	BFAF	
Cc1[nH]c(=O)n(C)c1-c1ccc(CC(C)C)cc1	29128525	BSFGKGMAGFWGFZ-UHFFFAOYSA-N	244.338	2.887	0	1	BFAF	
Oc1cc(O)cc(/C=C/c2ccoc2)c1	70462984	UESHHJQESFWOFD-OWOJBTEDSA-N	202.209	2.861	0	1	BFAF	
CC1(C)C=Cc2cc3cc(O)c(=O)oc3cc2O1	139485311	SBJCIDMVALOFAL-UHFFFAOYSA-N	244.246	2.683	0	1	BFAF	
Oc1cccc(CCc2ccc(O)cc2O)c1	238753567	FMNHXTPUYCUZET-UHFFFAOYSA-N	230.263	2.589	0	1	BFAF	
C[C@@H]1CO[C@H]2[C@@H]1CC[C@H](C)[C@]21C=C(CO)CC1	238775067	ZJJLCEATKJINRL-VEESAYDSSA-N	236.355	2.766	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2cnccc2[nH]1	586911184	KWGPOYJEMGZPFW-JOYOIKCWSA-N	231.299	2.631	0	1	BFAF	
Cc1coc2c1C(=O)[C@@]1(C)[C@H](C2)[C@H](O)CC[C@H]1C	2356469133	AWXFUOOEZGQLHT-UYUMYWFVSA-N	248.322	2.740	0	1	BFAF	
COC(=O)CCC[C@@H]1C(=S)Nc2ccccc21	13832585	BEJWMUKDOQNVDX-JTQLQIEISA-N	249.335	2.866	0	1	BFAF	
Cn1c(=O)ccc2cc(-c3cccnc3)ccc21	26492686	FMVLRESYIWVOKU-UHFFFAOYSA-N	236.274	2.601	0	1	BFAF	
COc1ccc(CON(C)c2ccccn2)cc1	73160781	QZTXGXXTEZXQKH-UHFFFAOYSA-N	244.294	2.658	0	1	BFAF	
Cc1cc(F)c2[nH]c(C[C@H](C)N(C)C)nc2c1	587189343	BLSAFZSVQFCETL-VIFPVBQESA-N	235.306	2.503	0	1	BFAF	
Clc1cnc2[nH]c(CC3CC3)nc2c1	587960100	VRPVVZFZSCIRKA-UHFFFAOYSA-N	207.664	2.564	0	1	BFAF	
C[C@@]1(CO)C[C@H]2[C@@H](CC(CO)=C3CC[C@@]32C)C1	2356558571	DWHWSBKMAVYZBO-HJPIBITLSA-N	236.355	2.504	0	1	BFAF	
CC1(C)OC[C@@]2([C@@H]3CC[C@@H](C3)C2(C)C)N1O	6009780	KZTYVSUOSFYZPB-CWSCBRNRSA-N	225.332	2.639	0	1	BFAF	
CC1=CC[C@]2(O)[C@H](C)CC[C@H](C(C)C)[C@H]2C1=O	13381557	DTKVUCPWKSABCL-CXTNEJHOSA-N	236.355	2.955	0	1	BFAF	biogenic
CSc1nccn1CCCc1ccc(O)cc1	27875156	FTHPDRBDOHFONJ-UHFFFAOYSA-N	248.351	2.943	0	1	BFAF	
Clc1cccc(N2CCN(C3CC3)CC2)c1	28763053	TVIIMFPRIPBSLZ-UHFFFAOYSA-N	236.746	2.624	0	1	BFAF	
C[C@@H]1Cc2nc3cc4cn[nH]c4cc3nc2[C@@H]1C	64448527	AZQHPOXMLSDBTK-HTQZYQBOSA-N	238.294	2.802	0	1	BFAF	
C/C=C(C)\C=C\c1cc(=O)c(C)c(OC)o1	211170798	UHDRCPRMNIQCES-MTNQHGNXSA-N	220.268	2.936	0	1	BFAF	
CNCC[C@H]1CC(C)(C)Oc2ccc(OC)cc21	299849447	ULODETYGOFBQMV-NSHDSACASA-N	249.354	2.949	0	1	BFAF	
O=C(Nc1cccc(OCF)c1)c1ccccn1	473249087	SXVNXZWIJVJYDK-UHFFFAOYSA-N	246.241	2.640	0	1	BFAF	
O[C@@H]1C[C@@H](c2ccco2)NC2(CCCCC2)C1	335498	AIQYSLMWCIICFG-NEPJUHHUSA-N	235.327	2.768	0	3	BFAF	
C[C@H]1CN=C(N(C)C)N1CCCC1CCCC1	36386709	VTHCSIGOXCRGIL-LBPRGKRZSA-N	237.391	2.579	0	3	BFAF	
c1ccc2c(c1)CC[C@H]1[C@H](c3c[nH]cn3)[C@@H]21	13746671	JRSOAPYTPOYVTE-KWCYVHTRSA-N	210.280	2.853	0	1	BFAF	
CC1=CO[C@H](c2ccccc2)[C@H](C)[C@@H]1O	27179552	ZCZKWXJIPYYHIU-RTXFEEFZSA-N	204.269	2.659	0	1	BFAF	
C[C@@H]1C[C@@]2(C)C[C@@H](Cc3ccc(O)cc32)N1C	169312971	BTVUINDNYSENMC-HCKVZZMMSA-N	231.339	2.689	0	1	BFAF	
C[C@H]1[C@H](O)C[C@H]2C[C@@]3(OC2(C)C)[C@H](C)CC[C@H]13	238732796	YEHOSOZZRKVZEO-VZGVWICMSA-N	238.371	2.987	0	1	BFAF	
CC1=C[C@@H]2CC3=CC(=O)O[C@]3(O)C(C)(C)[C@H]2CC1	238775217	DKCBQKUYOUNXGH-GMXABZIVSA-N	248.322	2.561	0	1	BFAF	
Clc1c[nH]c2nc(C3=CCCC3)nc-2n1	586885055	TZFUIQGFICAGAT-UHFFFAOYSA-N	220.663	2.525	0	1	BFAF	
C1=C(c2nc3cnc4ccccc4c3[nH]2)CCO1	586913656	SDEAMUJOJZESOL-UHFFFAOYSA-N	237.262	2.872	0	1	BFAF	
CC1=CC[C@]2(O)[C@H](C)CC[C@H](C(C)C)[C@@H]2[C@@H]1O	14918419	DICWRYPRNPIQED-RYPNDVFKSA-N	238.371	2.747	0	1	BFAF	biogenic
NC1=N[C@H](Cc2ccccc2)[C@@H](C(F)(F)F)C1	27199820	UQPONPWAJJACRG-VHSXEESVSA-N	242.244	2.537	0	1	BFAF	
COc1ccc(/C=C2/CN3CCC2CC3)cc1	28819337	SZNBTZJBXVMNDI-UVTDQMKNSA-N	229.323	2.804	0	1	BFAF	
C[C@@H](O)CCCCCCC/C=C/C(=O)O	31162605	KAAJBSCPZVDDGA-RJCSOLBVSA-N	214.305	2.739	0	1	BFAF	in-vitro
Clc1ccc(C[N+]2=CN3CCCC[C@@H]3C2)cc1	72104694	KKDZRFYNFYOVBL-CQSZACIVSA-N	249.765	2.749	0	1	BFAF	
COC[C@@]1(O)C[C@@H]2[C@H]3CCC[C@]2(C)[C@]1(C)C3	85545662	XADQQELMSKPYCU-NDKCEZKHSA-N	224.344	2.600	0	1	BFAF	biogenic,in-vitro
C1=C[C@H]2[C@@H](C=C1)N=C(c1ccncc1)c1cccn12	1857596765	MGNSPDWMLCRWRT-KGLIPLIRSA-N	247.301	2.770	0	1	BFAF	
CC=CC=CC=C[C@@H]1C[C@H](O)CC(=O)[C@H]1C	2356594122	JQUGOGSMHDBLNB-XQQFMLRXSA-N	220.312	2.651	0	1	BFAF	
CCOc1cccc2c(OC(=O)OC)c[nH]c12	2356776554	VAQISUZJGFUGIH-UHFFFAOYSA-N	235.239	2.712	0	1	BFAF	
Cc1c(C)n(C)c2ccc(N(C)C)cc12	26489808	DFUGBRBDVAXMOG-UHFFFAOYSA-N	202.301	2.861	0	1	BFAF	
NC1=C2CCCCC2=N[C@H]2CCCC[C@@H]12	28348545	TUHKKEQPFQTBQG-KOLCDFICSA-N	204.317	2.787	0	1	BFAF	
c1ccc(-c2cccc(Cn3cncn3)c2)cc1	45364123	OZOOKYPKFWRQMO-UHFFFAOYSA-N	235.290	2.993	0	1	BFAF	in-vivo
C/C=C/C=C/[C@H](O)C(F)(F)C(=O)C(C)(C)C	95584639	MJKTVZAPVZOHSG-OGMCZCHJSA-N	232.270	2.730	0	1	BFAF	
C[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@]3(C)CC[C@@H]1[C@@]23O	144059792	XQNFHOWLZXWUQN-PIHSVORRSA-N	238.371	2.581	0	1	BFAF	
O=C(O)CCCCCn1c(O)csc1=S	169687469	MWTNMLUXFQBTHJ-UHFFFAOYSA-N	247.341	2.630	0	1	BFAF	
Cc1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1	586885157	AGALFQDGIDRTQL-CYBMUJFWSA-N	218.300	2.735	0	1	BFAF	
Cc1nc2cccc3c2c(c1[C@H](C)C(=O)O)CC3	587215516	PPTKKUMHIPZUGL-QMMMGPOBSA-N	241.290	2.830	0	1	BFAF	
COc1cc2c3c(c1)O[C@](C)(C(C)C)[C@@H](C2)C3=O	587444928	XKFJJVLCSJJICV-XHDPSFHLSA-N	246.306	2.857	0	1	BFAF	
COc1cc2c3c(c1)O[C@@](C)(C1CC1)[C@@H](C2)C3=O	587445708	NGUJUADGPMELDG-NHYWBVRUSA-N	244.290	2.611	0	1	BFAF	
CC[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1	587954697	BCXXVORBQBRMJC-WRWORJQWSA-N	232.287	2.800	0	1	BFAF	
Cc1cccc2cc3c(c(O)c12)C(=O)CC[C@H]3O	2356322784	AYAHSISUGGHKQM-LLVKDONJSA-N	242.274	2.864	0	1	BFAF	
CCCCCC=CC=C[C@@H](O)[C@@H]1CCC(=O)O1	2356387132	JAXIPKBMDKIIGO-OLZOCXBDSA-N	238.327	2.746	0	1	BFAF	
CCCC[C@@H]1CN=C(S)N1CCCC	15952975	CZHSUEDMVHNQOG-SNVBAGLBSA-N	214.378	2.947	0	3	BFAF	
Cn1c(-c2ccc(F)cc2)[n+](C)c2ccccc21	41836	XPMYMRDFXSYSLB-UHFFFAOYSA-N	241.289	2.809	0	1	BFAF	
Clc1ccc([C@@H]2C[C@H]3CCC[C@@H]2N3)cn1	3826063	GDSORCYTZJIZHU-VWYCJHECSA-N	222.719	2.733	0	1	BFAF	in-vivo
CCc1c(O)nc(=S)n([C@H](C)CC)c1O	16513593	UMWKQTBBISRILL-ZCFIWIBFSA-N	228.317	2.557	0	1	BFAF	
COc1ccc2c(c1)CN(C(C)C)C(=O)[C@H](C)C2	71296165	QZRPMICYBWRQQN-LLVKDONJSA-N	247.338	2.624	0	1	BFAF	
O=C1CN(Cc2ccccc2)Cc2ccsc21	72120502	SSMZARQIBIGAFW-UHFFFAOYSA-N	243.331	2.947	0	1	BFAF	
CC1(C)CC2=C(CO)[C@H]3CC[C@@]3(C)C[C@@H]2[C@H]1O	238778264	FJJAETYIHFUSNA-ZGFBFQLVSA-N	236.355	2.502	0	1	BFAF	
CCCC(=O)CC=CC[C@@H]1OC(=O)C[C@H]1C	2356721506	GVXCZAWBYHCYJS-PWSUYJOCSA-N	224.300	2.644	0	1	BFAF	
C[C@H]1CC(OC(=O)c2ccccc2)C[C@@H](C)N1C	5573540	VTLHUCDLENWPBT-ONXXMXGDSA-N	247.338	2.715	0	1	BFAF	
C[C@@H]1CC[C@@H](C(C)(C)O)[C@@H]2[C@H]3[C@](C)(O)CC[C@@]123	238752591	VJDDPDKNJHKWDF-OYFKMHTJSA-N	238.371	2.581	0	1	BFAF	
Cc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1C	587191573	MKUNUOZJQAMECR-LLVKDONJSA-N	231.343	2.672	0	1	BFAF	
Cc1nonc1-c1cc2c3c(cccc3n1)CC2	587212234	QVEHHNIPUMDSOV-UHFFFAOYSA-N	237.262	2.692	0	1	BFAF	
COCc1nc2cccc3c2c(c1C)CC3	587212825	VVBRVCJNGKBKCE-UHFFFAOYSA-N	213.280	2.788	0	1	BFAF	
CC1(C)C=C[C@H]2C(=O)Nc3ccccc3[C@H]2O1	2356672412	IMDNUXFWNXWHQT-ZYHUDNBSSA-N	229.279	2.661	0	1	BFAF	
CCN(CCO)C[C@@H]1CCC[C@H]2CCCC[C@H]21	1612389	OMNYFBVXUCYWNL-QLFBSQMISA-N	239.403	2.907	0	3	BFAF	
COc1cccc2c3c(ccc12)OC(=O)CC3	13560931	TVWJMUQAAQLJHL-UHFFFAOYSA-N	228.247	2.700	0	1	BFAF	
COc1cc2c(c(OC)c1)OC(C)(C)C=C2	15119285	LEOLHPAUQLNHLR-UHFFFAOYSA-N	220.268	2.888	0	1	BFAF	biogenic
Nc1ccc2cccc(OCC3CCC3)c2n1	28369610	LOSCSSHHWRUJGD-UHFFFAOYSA-N	228.295	2.996	0	1	BFAF	in-vivo
CC(=O)O[C@@H]1CCCC[C@H]1Nc1ccccc1	34581611	VPIZNHATCOSMLT-ZIAGYGMSSA-N	233.311	2.973	0	1	BFAF	
O=C(O)c1cc2nc(C3=CCCC3)[nH]c2cc1F	586882701	AERQARIEZWXPCT-UHFFFAOYSA-N	246.241	2.968	0	1	BFAF	
FC(F)(F)c1cc2nc(CC3CC3)[nH]c2cn1	587959466	NQBJQDSQITWJGX-UHFFFAOYSA-N	241.216	2.929	0	1	BFAF	
CCOC(=O)[C@H]1C[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C1	653670284	MOGRTXHBIPWFGN-OOCWMUITSA-N	208.301	2.622	0	1	BFAF	
C[C@H]1[C@@H]2[C@@H]3[C@@H]4C[C@@]1(O)OC[C@@]42CCCC3(C)C	1772584001	YJPADJPVDTUSHA-UVGOUCATSA-N	236.355	2.804	0	1	BFAF	
CCC=CC[C@@H]1C(=O)CC[C@H]1CC(=O)OCC	2356522227	ZQIQZTGSDJKNLB-RYUDHWBXSA-N	238.327	2.891	0	1	BFAF	
Clc1cc2c(cn1)[C@@H]1C[C@H]3CC[C@H]1N3C2	137548409	QNJFYQBMHLYGPU-WCABBAIRSA-N	220.703	2.569	0	1	BFAF	
Cc1c(F)ccc2[nH]c(/C=C/C=C/C(=O)O)nc12	587969522	UMDIVFYNXZBXKS-ZUVMSYQZSA-N	246.241	2.664	0	1	BFAF	
Cc1nccc2nn(-c3ccccc3)cc12	1857651774	HCEJWIMCTOLUBF-UHFFFAOYSA-N	209.252	2.729	0	1	BFAF	
C[C@@H]1C[C@]12CC[C@](C)(O)[C@H]1CCC(CO)=C[C@@H]12	2356391118	JVZDURHSPPZZBH-QPGZIWCOSA-N	236.355	2.502	0	1	BFAF	
C[C@H](c1cc2ccccc2s1)N(O)C=O	5652400	YBBCKUHJPVFIJV-MRVPVSSYSA-N	221.281	2.810	0	1	BFAF	
C[C@@H]1CCC=C2CC[C@H]([C@@](C)(O)CO)C[C@]21C	15200783	UKZMUEWDUOSZAL-UNQGMJICSA-N	238.371	2.892	0	1	BFAF	biogenic
CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC(CO)=C[C@@H]12	59046687	IOQSQJRNINOLDG-AJNGGQMLSA-N	238.371	2.748	0	1	BFAF	
CC(C)C(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21	100051207	QNEXACLQEWOALO-BNDIWNMDSA-N	220.312	2.786	0	1	BFAF	
Cc1ccccc1C(=O)Nc1cnoc1C	128774171	WPYLEHWWNMURMY-UHFFFAOYSA-N	216.240	2.544	0	1	BFAF	
CCCC(=O)c1cnn(-c2ccc(O)cc2)c1C	299828108	HDWXITKMXSJNTE-UHFFFAOYSA-N	244.294	2.869	0	1	BFAF	
CC[C@H]1CN(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)C2	299847206	YGBLHUUAVFIEJK-XEZPLFJOSA-N	245.366	2.936	0	1	BFAF	
Brc1csc(Cc2c[nH]cn2)c1	22768	YSRNQQIFCFASJJ-UHFFFAOYSA-N	243.129	2.825	0	1	BFAF	
CN1CC[C@H]2c3ccccc3CC[C@H]2C1	13455421	HGPONHINTKRFQE-GXTWGEPZSA-N	201.313	2.668	0	1	BFAF	
COC(=O)c1cccc(Oc2cccnc2)c1	27101570	LYOVNDJQQYSMQG-UHFFFAOYSA-N	229.235	2.661	0	1	BFAF	
CCCCC(=O)c1cc(=O)c2c([nH]1)CCCC2	45497134	UBZGCHSBAOJHLE-UHFFFAOYSA-N	233.311	2.627	0	1	BFAF	
CN1[C@H]2C=C(c3ccc(Cl)cn3)C[C@H]1CC2	100049804	MHYACAYHOKNGQE-VXGBXAGGSA-N	234.730	2.985	0	1	BFAF	
N=C(N)Nc1cc(-c2cccc(Cl)c2)ccn1	1857632977	ZCXPRVUVRWRRGX-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
CO[C@@H]1C=C2Cc3occ(C)c3C(=O)[C@@H]2[C@H](C)C1	2356406572	ZTQAWNAQPWOWCS-YDEJPDAXSA-N	246.306	2.924	0	1	BFAF	
COC(=O)[P@@](=O)(O)Oc1c(C)cccc1C	3653688	JBZMNTIVMHFYSU-UHFFFAOYSA-N	244.183	2.634	0	1	BFAF	
C[C@H](C(=O)O)C1=C[C@]2(C)C(=CC1=O)CCC[C@@H]2C	14619313	GZKPGELBFJDQJX-YHAQOWFVSA-N	248.322	2.969	0	1	BFAF	biogenic
CCc1cc(OC)c(C[C@@H](N)CC)cc1OC	29336585	XJSXHKNUJUKEOV-LBPRGKRZSA-N	237.343	2.546	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2[C@@H](O)C1	95912440	NFSPTLKYFUJAOU-LXFSFDBISA-N	238.371	2.747	0	1	BFAF	biogenic,in-vitro
Clc1cc2c(cn1)[C@@H]1C[C@@H]3CC[C@H]1N3C2	137807722	QNJFYQBMHLYGPU-ATZCPNFKSA-N	220.703	2.569	0	1	BFAF	
COC(=O)[C@@]12CCC[C@H]3C[C@@H](CC[C@H]31)C2	257157254	PZUXQZVHSVGJTF-LSCVPOLPSA-N	208.301	2.766	0	1	BFAF	
COc1ccc(CCc2cc(C)no2)cc1	299863078	KNYOAYFWGDJCTP-UHFFFAOYSA-N	217.268	2.777	0	1	BFAF	
N[C@H](c1ccsc1)c1nc2ccccc2[nH]1	587027193	QIWGSQGYTHVLLE-LLVKDONJSA-N	229.308	2.673	0	1	BFAF	
CSc1ccc2nc([C@H](N)[C@H](C)F)[nH]c2c1	587126830	ZQUHUIJUSRVVBB-QUBYGPBYSA-N	239.319	2.643	0	1	BFAF	
CCCCCc1cc(OC)c(C)c(=O)o1	2356324355	QMHBGLDZEILXJA-UHFFFAOYSA-N	210.273	2.690	0	1	BFAF	
NC[C@]1(CC(=O)O)CCC[C@@H](c2ccccc2)C1	13779564	ZJAQPDQIWYAMGZ-UKRRQHHQSA-N	247.338	2.764	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)(C)O)CC[C@@](C)(O)[C@@H]2CC1	14918568	XOUUSQWJTXEKIT-RGCMKSIDSA-N	238.371	2.891	0	1	BFAF	biogenic
Clc1ccc([C@@H]2CC[C@H]3CC[C@@H]2N3)cn1	28395563	OPJHXZMPMOOVSN-DCAQKATOSA-N	222.719	2.733	0	1	BFAF	
CC1=CC[C@H](C)O[C@@]2(C1)C(=O)Nc1ccccc12	66136598	LWPFZBGVRKZALW-XHDPSFHLSA-N	243.306	2.979	0	1	BFAF	
Cc1nc2cccc3c2c(c1CCC(=O)O)CC3	587215789	UZKZFRRCSHKRIS-UHFFFAOYSA-N	241.290	2.659	0	1	BFAF	
O=C1C[C@H]2C[C@@H](C[C@@H](C=Cc3ccccc3)O2)O1	2356644928	YFBYLKAKTMYKNB-MGPQQGTHSA-N	244.290	2.563	0	1	BFAF	
C[C@@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](CC4)[C@H]1O	2356649132	ANZDCOUFLQZNEJ-JQOWZUPLSA-N	249.398	2.658	0	1	BFAF	
CC1=C[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]1[C@@H](C)CO[C@H]12	2356695463	IAEABCWVVYXBSR-MTWVNVMRSA-N	236.355	2.765	0	1	BFAF	
CC1=C(C=CCCCCC[C@H](C)O)COC1=O	2356757238	XJNVZUVIGOZMFT-NSHDSACASA-N	238.327	2.747	0	1	BFAF	
CCO[P@@]1(=O)CC(C)=C(Cl)[C@H](OC)C1	1637787	WGVMXIBAKCESJT-CLAHSXSESA-N	238.651	2.842	0	1	BFAF	
COC(=O)c1cc2[nH]c3ccccc3c2cn1	26396690	RNJQBMJPISCSKH-UHFFFAOYSA-N	226.235	2.503	0	1	BFAF	
Clc1cc2c(cn1)[C@@H]1C[C@H]3CC[C@@H]1N3C2	36079951	QNJFYQBMHLYGPU-YWVKMMECSA-N	220.703	2.569	0	1	BFAF	
c1csc(-c2cc3[nH]ccnc-3n2)c1	100823651	ALQLYFXDGFKLOE-UHFFFAOYSA-N	201.254	2.638	0	1	BFAF	
CN1CC[C@@H]2C3C[C@@H]4C[C@@H](C3)CC2(C4)C1	101556359	UCJWQMDBVPPJOW-RGLKLLMLSA-N	205.345	2.764	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]21	253635201	WIKOGZYEVQUKEV-ACBLYQCWSA-N	236.355	2.789	0	1	BFAF	
CC[C@H](C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587405898	OBNBXNZWZUUUSV-ZANVPECISA-N	233.311	2.957	0	1	BFAF	
C[C@H]1CC(=O)c2c(cc3ccccc3c2O)O1	1772647215	QEPJAUUBXXHCLO-QMMMGPOBSA-N	228.247	2.899	0	1	BFAF	
O=C(Nc1ccccc1)OCCCc1c[nH]cn1	1536436	LPMVGZWIQPTEJR-UHFFFAOYSA-N	245.282	2.591	0	1	BFAF	
C[C@@H](C1=NCCN1)c1cccc2ccccc12	13450498	VWIAFKHHBIYXKV-LLVKDONJSA-N	224.307	2.945	0	1	BFAF	
CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@H]21	13819979	FBOFPTJPVFSAHF-DZGCQCFKSA-N	245.366	2.981	0	1	BFAF	
C[C@@H](Nc1nc2ccccc2c(=O)[nH]1)C(C)(C)C	26575760	UYFKYHAHTUXZLH-SECBINFHSA-N	245.326	2.770	0	1	BFAF	
CC(C)C[C@@]1(O)C2=NCCCN2c2ccccc21	40504031	GEKSDCKALXEUEE-HNNXBMFYSA-N	244.338	2.543	0	1	BFAF	
COc1cc2c3c(c1)O[C@H](C1(C)CC1)[C@@H](C2)C3=O	587445976	QUGRQTANNJFIDA-HZMBPMFUSA-N	244.290	2.611	0	1	BFAF	
C[C@@H](c1cc2ccccc2s1)N(O)C=O	5652351	YBBCKUHJPVFIJV-QMMMGPOBSA-N	221.281	2.810	0	1	BFAF	
C=CC(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	5903120	YBIUHEWITUKHPU-NRUUGDAUSA-N	207.317	2.503	0	1	BFAF	
O=C(OC1CCCCC1)c1cccc(S)n1	28969146	FHNKYBYJCSINOT-UHFFFAOYSA-N	237.324	2.860	0	1	BFAF	
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN(C)C2	34592740	WJIDGFVKDOMGDU-PVXIVEMSSA-N	245.366	2.794	0	1	BFAF	
CCc1cc([C@@H](O)C(F)(F)F)ccc1O	84687718	MRMLYIQWXJMGBR-SECBINFHSA-N	220.190	2.550	0	1	BFAF	
CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2	105419079	PLRMLLVKFZCIQA-CFVMTHIKSA-N	231.339	2.594	0	1	BFAF	
C[C@@H]1C[C@@H]2CC(=O)[C@@H]3CCCN4CCC[C@@H]2[C@]34C1	137657680	BCZFSDNVXODRAJ-USRAEIGSSA-N	247.382	2.866	0	1	BFAF	
CN1C=CN(CCC(C)(C)C)/C1=C/N=O	377848923	JHAWIDQFHGMGHH-MDZDMXLPSA-N	209.293	2.707	0	1	BFAF	
OCc1cccc(-c2nc3ccc(F)cc3[nH]2)c1	586895099	ONSRCDTXWSCDOJ-UHFFFAOYSA-N	242.253	2.861	0	1	BFAF	
CC1=CC[C@H](O)[C@@]2(C)Cc3occ(C)c3C(=O)[C@@H]12	2356495218	JYWURVVLRXXLFU-NJZAAPMLSA-N	246.306	2.660	0	1	BFAF	
O[C@H](Cc1cccnc1)c1cc2ccccc2[nH]1	66077921	PFJJVSVNGNLZSK-OAHLLOKOSA-N	238.290	2.839	0	1	BFAF	
CCCc1ccc2ccc(=O)oc2c1C(C)=O	95588263	USPPBJJLPVMWRA-UHFFFAOYSA-N	230.263	2.948	0	1	BFAF	
CN1CC[C@H]2C3C[C@@H]4C[C@@H](C3)CC2(C4)C1	101556365	UCJWQMDBVPPJOW-YCQMLSDISA-N	205.345	2.764	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@H]1CCC[C@H]12	194828155	JOOBQJINBSHFNJ-KVQFHVITSA-N	228.339	2.769	0	1	BFAF	
CCCC/C=C\c1nc2ncc[nH]c-2n1	587964678	AXFHQDRDSQGIHF-WAYWQWQTSA-N	202.261	2.508	0	1	BFAF	
CC[C@@H](C)NC1Cc2cc(OC)c(OC)cc2C1	13471385	QSJGCFORWQNPTK-SNVBAGLBSA-N	249.354	2.559	0	1	BFAF	
O=C(O)[C@H]1[C@@H](c2ccccc2)[C@@H]2C=C[C@H]1C2	16923694	PWQBPEKAJJSVFH-MROQNXINSA-N	214.264	2.677	0	1	BFAF	
[O-][n+]1onc2ccc(/C=C\c3ccccc3)cc21	45303259	AURGNRKEXHVPOH-SREVYHEPSA-N	238.246	2.632	0	1	BFAF	
CC1=CC[C@@]2(CC1)[C@H](C)CC[C@H]2[C@@](C)(O)CO	238783390	QYMRVKAANPSQAP-CBBWQLFWSA-N	238.371	2.892	0	1	BFAF	
N=C(N)Nc1cccc(-c2ccc(Cl)cc2)n1	1857634927	UPEHIRCHVKTJBE-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
CC(C)[C@@H]1CCC(=O)c2cc(O)c(C(=O)O)cc21	2356325802	RAEAZOBPRHFGFO-QMMMGPOBSA-N	248.278	2.807	0	1	BFAF	
O=c1ccc2cc(Cl)c(O)c(Cl)c2o1	3115919	QNHURTAKNXBFQQ-UHFFFAOYSA-N	231.034	2.805	0	1	BFAF	
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2C	3629103	UPIJLTVYDZRYJT-BYCMXARLSA-N	215.340	2.841	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2c(C)ccnc2[nH]1	586914801	YBOZUHPKBZOJQS-WDEREUQCSA-N	245.326	2.939	0	1	BFAF	
CNc1c(F)cccc1-c1nc2cnccc2[nH]1	587136219	XKDUHYNUWXXQGC-UHFFFAOYSA-N	242.257	2.806	0	1	BFAF	
Cc1[nH]c2cccc(F)c2c1CCN(C)C	587634581	ACEFVGUBMSRXNG-UHFFFAOYSA-N	220.291	2.720	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1[C@H](O)C[C@]1(C)CCC[C@@]2(O)C1	2356340178	IWQJLGOXTOKUGR-RKEKIRQTSA-N	238.371	2.725	0	1	BFAF	
CC(=O)c1ccc2cccc3c2c1ncn3C	205510	VKJQFNRCZGVCOT-UHFFFAOYSA-N	224.263	2.929	0	3	BFAF	
Cc1ccc(C)n1[C@@H]1C(=O)N(C)c2ccccc21	206027578	YAJJWKXDOUFYQJ-AWEZNQCLSA-N	240.306	2.671	0	3	BFAF	
c1ccc(OCC2CCN(CC3CC3)CC2)nc1	13730194	QBEQOIRJXCLYNQ-UHFFFAOYSA-N	246.354	2.582	0	1	BFAF	
CC[C@@H](C)CSCC(=O)C(F)(F)F	13859382	XWJQWNWJQMREQY-ZCFIWIBFSA-N	214.252	2.897	0	1	BFAF	
CC1=C[C@@H]2CC=C(C(=O)O)[C@@H]2[C@H](CC(C)C)C1=O	14883256	PAAFIIOBYWWYMS-WCFLWFBJSA-N	248.322	2.825	0	1	BFAF	biogenic
CCOc1nc2cccc(C(C)C)c2c(=O)o1	27547263	SXKRWILCXNREAS-UHFFFAOYSA-N	233.267	2.710	0	1	BFAF	
Oc1cccc2c1CC[C@]21NCc2ccccc21	27657080	BKLZCDDYMWJJMH-MRXNPFEDSA-N	237.302	2.685	0	1	BFAF	
Nc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	53313765	MDUTXYLPODCITG-OWOJBTEDSA-N	227.263	2.850	0	1	BFAF	in-vivo
COc1ccc(-c2nc3cc[nH]cc-3n2)cc1	100968760	LIJTYTIIRRQXPS-UHFFFAOYSA-N	225.251	2.585	0	1	BFAF	
CSc1ccc2nc([C@H](N)C3CC3)[nH]c2c1	587255669	MFQPWGZFCDBQGW-LLVKDONJSA-N	233.340	2.695	0	1	BFAF	
C1=C(c2nc3ccccc3o2)C2CCN1CC2	17173	LCJWZLPNZLCYKB-UHFFFAOYSA-N	226.279	2.894	0	1	BFAF	
COc1ccc2c(c1)[C@]1(N)CCCC[C@@H]1CC2	26150096	IDMWBLWTWIEBSD-DOMZBBRYSA-N	231.339	2.986	0	1	BFAF	
O=c1[nH]c2ccc(Cc3ccccc3)cc2o1	39119887	SJUCTTNCWAPOTO-UHFFFAOYSA-N	225.247	2.712	0	1	BFAF	
CC(C)=CCOc1ccc(/C=C/C(=O)O)cc1N	66252416	WWUVEXJCCLUJBE-GQCTYLIASA-N	247.294	2.712	0	1	BFAF	
C[C@]1(/C=C/c2ccccc2)CC=CC(=O)O1	96921255	NXLVFAGXIPLETC-CFRMROPGSA-N	214.264	2.962	0	1	BFAF	
CC1(C)SC(Nc2ccccc2)=NC1=O	103168880	BECGTALSMBFXIK-UHFFFAOYSA-N	220.297	2.507	0	1	BFAF	
Oc1c[nH]c(=S)n1-c1nc2ccccc2s1	169694032	XEOBOVLNPUJBPN-UHFFFAOYSA-N	249.320	2.850	0	1	BFAF	
Cc1ncc2c(O)c(C)c(O)cc2c1C	238788901	SKBAWFZTQMWMSY-UHFFFAOYSA-N	203.241	2.571	0	1	BFAF	
N=c1cc2nc(/C=C\c3ccsc3)[nH]c2c[nH]1	587025403	KBHWRPOOLWYOFT-UPHRSURJSA-N	242.307	2.602	0	1	BFAF	
COc1ccc(Cl)c(F)c1[C@H]1C[C@@H]1CN	653707677	COCHDBMHBGSPFV-RQJHMYQMSA-N	229.682	2.550	0	1	BFAF	
CC(C)N[C@@H]1CCCC[C@H]2c3ccccc3[C@@]21O	5732712	JYLTYLGMYCSVSD-ARFHVFGLSA-N	245.366	2.912	0	1	BFAF	
Cc1ccc([C@@](O)(c2cncnc2)C(C)C)s1	28767248	MJWVBTNHZOPCEG-ZDUSSCGKSA-N	248.351	2.738	0	1	BFAF	
Clc1ccc(/C=N\c2nc[nH]n2)c(Cl)c1	100393655	IKZFQFDQQNFWNI-QCDXTXTGSA-N	241.081	2.862	0	1	BFAF	
CC/N=c1\nc(-c2ccccc2)n(CC)s1	103179925	HUYRFYFZQNGIJM-OUKQBFOZSA-N	233.340	2.552	0	1	BFAF	
COc1cccc2cc3c(c(OC)c12)C(=O)OC3	196165325	JURZSIPWQRBJJS-UHFFFAOYSA-N	244.246	2.527	0	1	BFAF	
Cc1nc(C)c(Cc2nc3cccnc3[nH]2)s1	587013084	ZGADJFCJQSGQCG-UHFFFAOYSA-N	244.323	2.622	0	1	BFAF	
c1cc2c3c(cc(-c4cncnc4)nc3c1)CC2	587213550	XGZXQWTVIDYDFP-UHFFFAOYSA-N	233.274	2.790	0	1	BFAF	
Cc1cc(C(=O)c2coc3ccccc23)on1	587280768	AHIUPJQUYDAZGP-UHFFFAOYSA-N	227.219	2.960	0	1	BFAF	
N=C(N)Nc1ccc(-c2cccc(Cl)c2)cn1	1857633639	IVKKADUOGMLWJZ-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
c1cnc(-c2nc(-c3cccnc3)cs2)nc1	1857757799	YVPRSXYUYOUJAV-UHFFFAOYSA-N	240.291	2.662	0	1	BFAF	
COc1ccc2c(C(C)(C)O)occ2c1	2356375690	INJCMUGNXDFNNV-UHFFFAOYSA-N	206.241	2.669	0	1	BFAF	
CC(C)[C@@H]1CC[C@H]2O[C@@]3(C)CC[C@H]2[C@H]3[C@@H]1O	2356760284	VCHKQGGIARQOQS-OKDXSUHISA-N	224.344	2.597	0	1	BFAF	
O=c1cc(-c2ccccn2)[nH]c2cccc(F)c12	5594565	FKJLMNPHRRHQHI-UHFFFAOYSA-N	240.237	2.729	0	1	BFAF	
CC1=CC[C@@]2(O)[C@H]([C@H]1O)[C@@H](C(C)C)CC[C@H]2C	13381553	DICWRYPRNPIQED-MRLBHPIUSA-N	238.371	2.747	0	1	BFAF	biogenic
NC[C@@H]1[C@@H](c2ccccc2)[C@H]2CC[C@@H]1C2	13795174	GELSJFZDHVLESJ-RFGFWPKPSA-N	201.313	2.775	0	1	BFAF	
COC(=O)c1cc(OC)cc2c(C)cccc12	14490584	RVGBVHRFUDKYMG-UHFFFAOYSA-N	230.263	2.943	0	1	BFAF	biogenic,in-vitro
C[C@@H]1CC[C@@]23CCC(=O)[C@@]12C(C(=O)O)=CC3(C)C	14619860	DZZUDKWCIAKSGQ-NKZPBKNFSA-N	248.322	2.803	0	1	BFAF	biogenic
CCc1[nH]c2ccc(Cl)cc2c1NC(=N)N	28713391	UWNRGAIGHYEPDE-UHFFFAOYSA-N	236.706	2.689	0	1	BFAF	
N[C@@H](C/C=C/c1ccccc1)CCc1c[nH]cn1	29406808	UCUSOHOVXUOPEU-GBXSZLQWSA-N	241.338	2.773	0	1	BFAF	
C[C@@H]1[C@@H]2C[C@@H]([C@@H](CN(C)C)[C@@H]2N=O)C1(C)C	169691336	ALIWULSNWCSCKU-CSYMLDBXSA-N	224.348	2.611	0	1	BFAF	
CCN[C@H]1[C@@H]2[C@H]3C[C@H]4[C@H]5C[C@@H]([C@@H]42)[C@]1(CC)[C@@H]35	195097784	JWACGMVTPOOTMF-CWPJEOAFSA-N	217.356	2.523	0	1	BFAF	
O=C(O)c1ccc2nc(C3=CCCC3)[nH]c2c1	586884607	RIPZFSFVZIOVRP-UHFFFAOYSA-N	228.251	2.828	0	1	BFAF	
Fc1cccc2nc(CCOCC3CC3)[nH]c12	587782927	AMJKYUIMIGYRSK-UHFFFAOYSA-N	234.274	2.671	0	1	BFAF	
Cc1cc2c(cc1F)[C@]1(C=CCC1)NCC2	962299493	OAOVSDYBFXNRBB-CQSZACIVSA-N	217.287	2.825	0	1	BFAF	
C[C@@H]1CC(OC(=O)c2ccccc2)C[C@@H](C)N1C	5559711	VTLHUCDLENWPBT-VXGBXAGGSA-N	247.338	2.715	0	3	BFAF	
CC1=C2[C@H](O)[C@@H](C(C)C)CC[C@@]2(C)C=CC1=O	14452360	CCZQRKXKKUWSJV-DFBGVHRSSA-N	234.339	2.875	0	1	BFAF	biogenic
COc1ccc2c(c1OC)OC(C)(C)C=C2	15119286	QQPFWWNLWCDYNV-UHFFFAOYSA-N	220.268	2.888	0	1	BFAF	biogenic
COc1cc2c(cc1Cl)[C@@H](C)CNCC2	28136027	SJJIKXOJEDKQRJ-QMMMGPOBSA-N	225.719	2.598	0	1	BFAF	
COc1cccc([C@]23CCCN[C@@H](CC2)C3)c1	101794279	PRVRSSVEGMFFPB-DZGCQCFKSA-N	231.339	2.869	0	1	BFAF	
CC1(C)CCN2C(=O)[C@@]34CCC[C@@H]3C[C@@]21S4	102915180	YNWINBYEJRPYBT-WQAKAFBOSA-N	237.368	2.631	0	1	BFAF	
Cc1c(C)c2c(c3c1[C@H](C)C[C@H]3C)NC(=O)[C@@H]2O	2356800010	POZAGFVHYZXJIL-CZQYDQBASA-N	245.322	2.900	0	1	BFAF	
Cc1ccc(C)c([C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)c1	4474221	SPCLRIAZWZKWNU-SQWLQELKSA-N	247.382	2.851	0	1	BFAF	
CC[C@]1(Cc2ccccc2)CCCCNC1=O	13760783	XZLNTMRCJUOINE-OAHLLOKOSA-N	231.339	2.926	0	1	BFAF	
CC(C)CCCCC1=CN=CN2COC(=O)N12	14592099	BHZPOTRWKUZKCH-UHFFFAOYSA-N	237.303	2.713	0	1	BFAF	
COc1ccc(O)c2c(OC)c3ccoc3nc12	15222483	QXNBZQJZTMYMOB-UHFFFAOYSA-N	245.234	2.704	0	1	BFAF	biogenic
CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1O	169664213	RUGJZFZHTUVOIR-VQJWOFKYSA-N	240.387	2.971	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)[C@H](O)C[C@@H]2C(C)C)[C@@H](O)C1	2356535937	CPFGTXNXFPHSEY-RQJABVFESA-N	236.355	2.667	0	1	BFAF	
CC=CCCCOP(=O)(OC)OC	2356579014	NUSJWRIBOIQJIL-UHFFFAOYSA-N	208.194	2.760	0	1	BFAF	
CCCCN1CCN=C1Nc1ccccc1	15924645	PDCITSPTAJYPGV-UHFFFAOYSA-N	217.316	2.570	0	3	BFAF	
C[C@@]12CC[C@@H]3CC(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O	29482213	HHPUADWBUUWGBY-KYLSFTOHSA-N	222.328	2.543	0	1	BFAF	
CC1=CCCC[C@H]1N(O)c1cc(C)on1	73170159	DCNXVMUPNWTQRM-SNVBAGLBSA-N	208.261	2.677	0	1	BFAF	
Clc1ccc([C@H]2C[C@@H]3CC[C@@H]2N3)cc1	100913941	ONGUNCXEJINACZ-TUAOUCFPSA-N	207.704	2.948	0	1	BFAF	
COc1ccc2c(c1)[C@H]1[C@@H](CCCN1C)C2	299831762	REOUOAFXFYANBT-SMDDNHRTSA-N	217.312	2.634	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)O)CO	2356658077	DZAZSBAAFSSMAB-ZQDZILKHSA-N	238.371	2.892	0	1	BFAF	
O=C(O)c1cc(Cl)cc2c1NCCS2	29311740	RDVJUSXWLIZCQI-UHFFFAOYSA-N	229.688	2.556	0	1	BFAF	
CCCC[C@H](N)[P@@](=O)(O)Oc1ccccc1	49071950	WRTBDONQGQRUNP-LLVKDONJSA-N	243.243	2.726	0	1	BFAF	in-vivo
CCCC[C@]1(COC)NCCc2c(C)ccnc21	963071035	ITOGMKNUNUGQGN-OAHLLOKOSA-N	248.370	2.568	0	1	BFAF	
CC(C)(C)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1	1772650942	PSVHZTBJEAUZSI-UPJWGTAASA-N	224.392	2.543	0	1	BFAF	
CSC(=S)Nc1cc(C)cc(C)n1	13002350	LUAMXMOQEXBAHW-UHFFFAOYSA-N	212.343	2.758	0	1	BFAF	
C[C@@H]1CC[C@@H]2c3ccc(O)cc3CC[C@H]2[C@@H]1O	14616988	UTGZSYOCMLNADB-SEWBAHNZSA-N	232.323	2.829	0	1	BFAF	biogenic
CCCc1nc(=S)[nH]c(O)c1Br	26935837	XPUWUCQTZVFBBU-UHFFFAOYSA-N	249.133	2.560	0	1	BFAF	
C[C@@H]1N[C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@H]21	27207536	FMBYQEIJDWNYNT-BLHPFNGSSA-N	228.339	2.815	0	1	BFAF	
Cc1ccccc1-n1ccc(CCN(C)C)c1	28821752	QWHCEIHHPBMPBP-UHFFFAOYSA-N	228.339	2.890	0	1	BFAF	
COc1cccc2[nH]c3c(c12)CCc1c[nH]nc1-3	38525223	RBAUINYBDBXBTM-UHFFFAOYSA-N	239.278	2.665	0	1	BFAF	
O=[N+]1c2ccccc2N(O)C12CCCC2	39212559	IMVSIWVNDNQZCJ-UHFFFAOYSA-N	205.237	2.577	0	1	BFAF	
Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1	100753800	BHBOTTMNPGXYAZ-LDYMZIIASA-N	216.259	2.656	0	1	BFAF	
O[C@@]1(C(F)(F)F)C[C@@H](c2ccccc2)N=N1	169697567	PBVXMRBQTWJHIB-DTWKUNHWSA-N	230.189	2.835	0	1	BFAF	
NC1=Cc2nc3cccc4c3c(c2CC1)CC4	587210803	IJGZXUAVLRXUNO-UHFFFAOYSA-N	222.291	2.579	0	1	BFAF	
O=P(O)(O)Cc1csc2ccccc12	621478216	HVYXCNMNVNBSTH-UHFFFAOYSA-N	228.209	2.579	0	1	BFAF	
O=C1CCC[C@H]([C@H]2C[C@@H]2c2ccccc2)O1	1857744239	HCUZSUWEMNNKAZ-FRRDWIJNSA-N	216.280	2.886	0	1	BFAF	
O=c1oc(C2(O)CCCCC2)cc2ccccc12	61969004	HLTPWVSYOQWHMJ-UHFFFAOYSA-N	244.290	2.945	0	3	BFAF	
Cc1ccc(C)c([C@]2(O)C[C@H](C)N(C)C[C@H]2C)c1	104021770	SPCLRIAZWZKWNU-YCPHGPKFSA-N	247.382	2.851	0	3	BFAF	
O=C(O)[C@@H]1C=CC(SC(F)(F)F)=CC1	26255345	RWXYHTVQAIPPIF-RXMQYKEDSA-N	224.203	2.784	0	1	BFAF	
NC1=N[C@@H](c2cccs2)Nc2cccc(F)c21	62260308	OGKZGPSVQKXXOY-LBPRGKRZSA-N	247.298	2.717	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@](O)(CO)[C@H]1C2	2356579260	WEZSMISXBFOGRL-XQLPTFJDSA-N	238.371	2.892	0	1	BFAF	
CC1=C[C@]2(O)CC[C@](C)(O)[C@]23CC(C)(C)C[C@@H]13	2356721879	QVPJAJHBGVFNNK-SPWCGHHHSA-N	236.355	2.645	0	1	BFAF	
O=C(NCc1ccco1)[C@H]1[C@H]2CCCCC=C[C@@H]21	4664184	ZZYJXLSLHDDCAV-MELADBBJSA-N	245.322	2.888	0	1	BFAF	
c1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1	53229841	DKJLGZJEDGFKIC-UHFFFAOYSA-N	241.338	2.869	0	1	BFAF	in-vivo
CCCOc1cc2oc(=O)ccc2cc1C(C)=O	64549762	VIKCPCBUFQJHPC-UHFFFAOYSA-N	246.262	2.784	0	1	BFAF	in-vivo
CN1C[C@H]2C=C(c3ccc(F)nc3)C[C@@H](C2)C1	101576800	GITHBFKKVBHLFE-GHMZBOCLSA-N	232.302	2.576	0	1	BFAF	
CN(C)CCC[C@H]1C2=C(CC=CC2)CC[C@@H]1O	169327472	DZOKOEWOLNWOPP-GJZGRUSLSA-N	235.371	2.746	0	1	BFAF	
C[C@@]1(c2ccc(F)cc2F)CCSC(N)=N1	221483782	JRYNZJXSUKTLGF-NSHDSACASA-N	242.294	2.632	0	1	BFAF	in-vitro
CC[C@@]1(C)C[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1	586891488	RGCPNGLJZOQKEQ-OTYXRUKQSA-N	243.310	2.565	0	1	BFAF	
CCOCc1ccc(-c2nc3ncccc3[nH]2)o1	586902351	DKYSIEWIJARGJA-UHFFFAOYSA-N	243.266	2.754	0	1	BFAF	
CC=C[C@@H]1C[C@H](O)c2cc(C)ccc2O1	2356461826	VQTRDZXQXYYUPP-PWSUYJOCSA-N	204.269	2.756	0	1	BFAF	
Cc1cc2c(cc1O)[C@@H](C)[C@H](C=CC(C)(C)O)O2	2356781322	IFUZUQKJCKPEIC-MFKMUULPSA-N	248.322	2.892	0	1	BFAF	
C=CCCC[C@H](C)[C@@H]1CCC(CO)=CC1=O	14492793	YOQGWYGRDOUVJC-AAEUAGOBSA-N	222.328	2.877	0	1	BFAF	biogenic
CSc1ccc(Cc2ccncn2)cc1	49802876	UJJCKFVSBGSGGF-UHFFFAOYSA-N	216.309	2.789	0	1	BFAF	
CO/C=C/c1cc2ccc(=O)oc2cc1C	111958828	GENWIQAWAHKDHA-AATRIKPKSA-N	216.236	2.719	0	1	BFAF	
C[C@@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@](C)(CO)O2	2356684159	KSWAXHCUYHGSQZ-UJOWSUJOSA-N	238.371	2.989	0	1	BFAF	
CCCCCC[C@@H]([C@@H](C)O)n1ccnc1	12405524	NEUJWNIPOOBBPG-NEPJUHHUSA-N	210.321	2.775	0	1	BFAF	
C[C@@H]1CC[C@H](c2ccoc2)N2C[C@@H](CO)CC[C@H]12	13436121	FFVCMXOAPCVMHQ-AYRXBEOTSA-N	249.354	2.824	0	1	BFAF	biogenic
Clc1ccc([C@@H]2CC[C@@H]3CC[C@H]2N3)cn1	29465820	OPJHXZMPMOOVSN-OUAUKWLOSA-N	222.719	2.733	0	1	BFAF	
Cc1ccc(-c2cc3[nH]ccnc-3n2)cc1	101251829	OXVPDXDXJDTABB-UHFFFAOYSA-N	209.252	2.885	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2ccnc(OC)c2[nH]1	586893838	YYBVAAQOEPNNGG-AMIZOPFISA-N	231.299	2.870	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2cccc(O)c2[nH]1	586914574	WMWOEYLFXKAJPO-SKDRFNHKSA-N	246.310	2.941	0	1	BFAF	
N=c1[nH]ccc2[nH]c(-c3ccc(Cl)cc3)nc12	587068911	FSHXAMAVXSCHFW-UHFFFAOYSA-N	244.685	2.691	0	1	BFAF	
Cc1cc(C)c2nc(/C=C/C=C\C(=O)O)[nH]c2c1	587967010	FWMADVWZINBRFX-UZNMPDEFSA-N	242.278	2.834	0	1	BFAF	
O=C1Cc2c([nH]c3ncccc23)-c2ccccc2N1	13532129	IMVYUVOHSQUHJD-UHFFFAOYSA-N	249.273	2.725	0	1	BFAF	
Cc1cc(=O)oc2cc3c(cc12)[C@H](C)CO3	13556055	CWRJGLSDXVQPQV-MRVPVSSYSA-N	216.236	2.597	0	1	BFAF	
Cc1ccc([C@]23C[C@H]2CN(CC2CC2)C3)cc1	27552025	AAZHRZKYPZLHSR-JKSUJKDBSA-N	227.351	2.978	0	1	BFAF	
CC(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1	59587026	VKJKDESBYIGYTF-LLVKDONJSA-N	230.263	2.753	0	1	BFAF	biogenic,in-vitro
C[C@@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@@H]12	101257677	FMBYQEIJDWNYNT-YXRHHCIQSA-N	228.339	2.815	0	1	BFAF	
CO[C@]12OC(=O)C=C1CC[C@H]1CC[C@@H]2C=C1C	238755623	UDEJAYYMTABHKD-JTNHKYCSSA-N	234.295	2.579	0	1	BFAF	
Cn1c(-c2cc(F)cc(F)c2)nc2ncccc21	299820461	BMBXDCVLMHFNJR-UHFFFAOYSA-N	245.232	2.914	0	1	BFAF	
Cc1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1	587968129	LDOBSYZEDMCPEZ-HZDAAVBUSA-N	228.251	2.525	0	1	BFAF	
CC(C)C1=CC[C@H](CO)[C@@]12C=C[C@](C)(O)CC2	653810033	PFDNKLACQKUSDH-SNPRPXQTSA-N	236.355	2.668	0	1	BFAF	
CC1(C)[C@H]2CC=C(CN3CCC[C@@H](CO)C3)[C@@H]1C2	217772	PDCQVXFZCJZERL-SNPRPXQTSA-N	249.398	2.683	0	1	BFAF	
CC1=C2[C@@H]3CC(C)(C)C[C@H]3C(=O)[C@]2(C)CC1=O	13411732	MMEMHQYXRHYMDN-IQMDTDKHSA-N	232.323	2.917	0	1	BFAF	biogenic
CN1CCc2ccc(Cl)c3c2[C@H](CC3)C1	27712447	HDFJHMACFRDUNC-SNVBAGLBSA-N	221.731	2.858	0	1	BFAF	
CC(=O)Oc1c(C)c(C)nc2ccccc12	34426749	QGVIUPJIZVYWDJ-UHFFFAOYSA-N	215.252	2.777	0	1	BFAF	
Fc1ccccc1CN1CC[C@H](c2cc[nH]n2)C1	72187740	LGEHEUZQRGXULN-LBPRGKRZSA-N	245.301	2.538	0	1	BFAF	
CC(C)CCSc1ccc2c(c1)C(=O)NC2=O	95572045	NIQXPLGZTIPJKG-UHFFFAOYSA-N	249.335	2.708	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(C)nc2[nH]1	586913760	SGSVZYGJNHAIQZ-PWSUYJOCSA-N	245.326	2.939	0	1	BFAF	
Cc1cncc2nc(C(C)(C)Cl)[nH]c12	587008910	RKLBKQRODYYNPR-UHFFFAOYSA-N	209.680	2.740	0	1	BFAF	
C[C@@H]1O[C@@]23C[C@H]1CC[C@@]2(C)CCC[C@H]3CO	2356371231	XPOUZYSXHNCNEA-MEBFFEOJSA-N	224.344	2.743	0	1	BFAF	
CC1=CCCC(CO)=C[C@@H]2[C@@H](CC1)[C@@]2(C)CO	2356433256	DCQFUTANYUEHLR-RBSFLKMASA-N	236.355	2.670	0	1	BFAF	
C/C=C(C)/C=C\c1cc(=O)c(C)c(OC)o1	14589679	UHDRCPRMNIQCES-QRLJIZSYSA-N	220.268	2.936	0	1	BFAF	
C[C@H]1[C@@H](O)C[C@@H]2C[C@]3(OC2(C)C)[C@H](C)CC[C@H]13	38321787	YEHOSOZZRKVZEO-BQVODAHPSA-N	238.371	2.987	0	1	BFAF	biogenic,in-vitro
C[C@H](Cc1ccc(O)cc1)c1ccc(O)cn1	43062336	BALUHDAPLHUOSN-SNVBAGLBSA-N	229.279	2.839	0	1	BFAF	
CC(C)C1=C[C@H]2[C@@](C)(O)CC[C@@H](O)[C@]2(C)CC1	196619659	RGIVMNUHSHEEPN-TUVASFSCSA-N	238.371	2.891	0	1	BFAF	
CC(C)c1cc2c(O)nc(O)nc2nc1C(C)C	587560860	HTBWROGTFTZYCC-UHFFFAOYSA-N	247.298	2.683	0	1	BFAF	
Cc1ccc(C2=C(O)C(=O)N3CCCC[C@@H]23)cc1	1857651807	PZPZFMJWKKBLBS-LBPRGKRZSA-N	243.306	2.659	0	1	BFAF	
Cc1ccc(Sc2ncnc3nc[nH]c23)cc1	1566907	PVQBKEDASIBTAR-UHFFFAOYSA-N	242.307	2.813	0	1	BFAF	
COc1cc(O)c(CC(C)C)c(OC)c1OC	38313699	ROVXFNGQIBRIQW-UHFFFAOYSA-N	240.299	2.617	0	1	BFAF	
c1coc(-c2nc(CN3CCCCC3)co2)c1	72183331	ZYITUECPYZLONM-UHFFFAOYSA-N	232.283	2.921	0	1	BFAF	
CC[C@H](O)c1nc2cc(C)c(Cl)cc2[nH]1	586900159	DYVNTSJNZLUNKH-JTQLQIEISA-N	224.691	2.968	0	1	BFAF	
Oc1nc(-c2nc3cccc(F)c3[nH]2)cs1	587017425	KYKWEFWSABMSPO-UHFFFAOYSA-N	235.243	2.531	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2cccc(F)c2[nH]1	587963376	NJNXILFXKXMHGD-RKDXNWHRSA-N	246.285	2.860	0	1	BFAF	
CC(C)n1cnc2c(N)nc3ccccc3c21	28477529	MZHCMKLGOQGXGC-UHFFFAOYSA-N	226.283	2.748	0	1	BFAF	
CC(=O)c1cc2ccc3occc3c2oc1=O	38976277	VVJWKNTUMFVAKY-UHFFFAOYSA-N	228.203	2.742	0	1	BFAF	
CC(C)(C)/C(O)=C/C(=N)c1ccccn1	101632389	GOTYRQQBDUMMGY-KHPLKFLISA-N	204.273	2.937	0	1	BFAF	
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)OCC	238757936	ZQIQZTGSDJKNLB-DUVUQDDDSA-N	238.327	2.891	0	1	BFAF	
CCC[C@H](C)n1cc(C(=O)C(F)F)cn1	473115257	QYQDDTYKNXOHKG-ZETCQYMHSA-N	216.231	2.692	0	1	BFAF	
CCC(=O)Cc1cc2c3c(cccc3n1)CC2	587213299	IEKFNRJLJCRMED-UHFFFAOYSA-N	225.291	2.855	0	1	BFAF	
CCC=CC1=C2NC(=N)N[C@@H]3CC[C@H](C[C@H]1C)[C@@H]23	2356757254	YSZQKSLEUOCOPD-FPQZTECRSA-N	245.370	2.769	0	1	BFAF	
CC1=CN([C@@H](C)C(=O)O)C=C2[C]1CC[C@@H]2C	2356833888	FNLBHKVYBFXXDK-WPRPVWTQSA-N	220.292	2.567	0	1	BFAF	
Cc1ccc2nc(-c3cc(N)ccc3O)[nH]c2c1	33847620	CGDUUOXKXKSWGT-UHFFFAOYSA-N	239.278	2.826	0	1	BFAF	
COc1ccc([C@@H]2NN=C3CCCC[C@@H]32)cc1	43123093	MWWRTYAHWODDMB-JSGCOSHPSA-N	230.311	2.886	0	1	BFAF	
C[C@]12N[C@@H](Cc3ccc(O)cc31)c1ccccc12	100649227	IQDJALWOLAOJAH-JKSUJKDBSA-N	237.302	2.856	0	1	BFAF	
CC[C@H]1CC[C@H](C(=O)CCC(=O)O)CC1	101353272	GZHGUUOSXOLSLL-AOOOYVTPSA-N	212.289	2.637	0	1	BFAF	
CCC[C@@H](C)c1oc(=O)cc(OC)c1C	14658873	DCIVCXJJSXPMID-MRVPVSSYSA-N	210.273	2.860	0	1	BFAF	biogenic
C[C@H]1C(=O)C[C@H](c2ccco2)N[C@@H]1c1ccco1	19537240	ODBXCYFSKSAVDY-RBZYPMLTSA-N	245.278	2.854	0	1	BFAF	
Cc1c(CCc2ccccc2)[nH]c(=S)[nH]c1=O	29232416	CFHCZGUJLWPJGY-UHFFFAOYSA-N	246.335	2.526	0	1	BFAF	
CCc1nnc(-c2nsc3ccccc23)o1	29331984	SWMKMNZKLNMOQM-UHFFFAOYSA-N	231.280	2.909	0	1	BFAF	
Cc1c(C)c2c(c3c1[C@H](O)C(=O)N3)[C@@H](C)C[C@H]2C	2356800011	POZAGFVHYZXJIL-DHDZUQTRSA-N	245.322	2.900	0	1	BFAF	
C[C@H](O)c1ccc2oc(C(C)(C)O)cc2c1	13306528	AITBGMUAMIDJRC-QMMMGPOBSA-N	220.268	2.714	0	1	BFAF	biogenic
CCCNc1c(OCC)cnc2c(CC)cnn12	26477886	GUCABCDMSHYRIS-UHFFFAOYSA-N	248.330	2.512	0	1	BFAF	
CC1(C)CC(=O)c2c(ccc3oc(=O)ccc23)N1	103234311	PBNOWELJUUSAEI-UHFFFAOYSA-N	243.262	2.570	0	1	BFAF	
C[C@H](Cc1cc2c3c(cccc3n1)CC2)C(=O)O	587215621	RHNMANANXUHAKT-SECBINFHSA-N	241.290	2.597	0	1	BFAF	
Cc1ccc2c(c1)c1c(n2C)-c2n[nH]cc2CC1	5490830	OSDMCSZTEHKZDX-UHFFFAOYSA-N	237.306	2.975	0	3	BFAF	
c1ccc2cc(C3N4CCCN34)ccc2c1	19168847	OZXRPFRWXFYYMZ-UHFFFAOYSA-N	210.280	2.775	0	3	BFAF	
CCCCCC[C@@H]([C@@H](C)O)n1cccn1	12405526	IJCXQZWAZPGFQK-NEPJUHHUSA-N	210.321	2.775	0	1	BFAF	
CCCC(=O)NCCCc1ccccc1OC	13755746	MDBVMSFXYRLCEG-UHFFFAOYSA-N	235.327	2.544	0	1	BFAF	
CCCC(=O)NC[C@@H]1CCc2ccc(OC)cc21	26985312	GBTHDMWAVQRXHE-LBPRGKRZSA-N	247.338	2.641	0	1	BFAF	
c1ccc2c(c1)CC[C@@H]1[C@@H](c3cc[nH]n3)[C@H]21	34415587	FIORVGNTSODCHF-YUTCNCBUSA-N	210.280	2.853	0	1	BFAF	
CC[C@@]1(c2ccccc2)OCC[C@@H](CCCN)O1	71294701	LKZMPSJBBSQFBB-HUUCEWRRSA-N	249.354	2.794	0	1	BFAF	
C[C@H](C(=O)O)c1c[nH]c2c(F)cc(F)cc12	103171749	HOPCVKDYTJHMQV-YFKPBYRVSA-N	225.194	2.634	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3[C@@H]4C[C@H]2[C@H]2[C@@H]4C[C@H]3[C@]12C	169373090	LRNABWCLYGWJSN-PONUSFIHSA-N	231.383	2.913	0	1	BFAF	
CN1CCC[C@H]2Cc3cc(Cl)c(O)cc3[C@H]21	299832804	WAIIEGCUZOAHGT-SDBXPKJASA-N	237.730	2.985	0	1	BFAF	
C=Cc1ccc(-c2nc3cnncc3[nH]2)cc1	586882124	URIAWOCDTNWWHF-UHFFFAOYSA-N	222.251	2.663	0	1	BFAF	
O=C1N[C@H](Nc2ccccc2)C[C@@H]2CCCC[C@@H]12	618012072	VGMNCKGKWZCOTK-YUTCNCBUSA-N	244.338	2.751	0	1	BFAF	
CN=[S@@](C)(=O)c1ccc(C(F)(F)F)cc1	1772609457	NPBVBQCHZPFJPO-HNNXBMFYSA-N	237.246	2.792	0	1	BFAF	
COC(=O)CC=C1c2ccccc2[C@H](OC)[C@H]1C	1857623108	BAHWNFBCNAWEMW-ZUZCIYMTSA-N	246.306	2.970	0	1	BFAF	
Oc1cc(O)nc(/C=C/c2cccs2)c1	1857771447	PQEGUHPSYWDFHB-ONEGZZNKSA-N	219.265	2.725	0	1	BFAF	
C[C@@H]1[C@H](O)CCN[C@@H]1C=CC=Cc1ccccc1	2356579563	BDDSGELKWZUGTC-NUEKZKHPSA-N	243.350	2.615	0	1	BFAF	
C[C@H](CO)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1	2356728997	ZPYVXPAWWQZYPQ-OJVARPOJSA-N	240.387	2.828	0	1	BFAF	
Cc1c(-c2ccc(O)cc2)[nH]c2nccnc12	13492975	VDOHDCXDESGVKC-UHFFFAOYSA-N	225.251	2.639	0	1	BFAF	
COc1nc(C(C)C)c(OC)nc1C(C)C	26675134	KGIIRNJQAZWUFA-UHFFFAOYSA-N	224.304	2.741	0	1	BFAF	
CC1=C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1	29324610	CJJVQYKRHBQPJE-UXIGCNINSA-N	240.350	2.943	0	1	BFAF	
CSCCCCCCCC[C@H](NO)C(=O)O	64624890	YUVSLMOWLXLZEG-JTQLQIEISA-N	249.376	2.512	0	1	BFAF	in-vitro
c1ccc(CCCOCCN2CCCC2)cc1	84668749	WLOSSPMWRVEJAW-UHFFFAOYSA-N	233.355	2.732	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)C[C@@](C)(O)[C@@H]3C[C@]312	95919035	DQQQGAFDHZXUFN-HPEDKQMDSA-N	236.355	2.933	0	1	BFAF	biogenic,in-vitro
COc1cc(/C=C/c2ccsc2)oc(=O)c1	1772656102	AGPNVHVIKJSSBB-NSCUHMNNSA-N	234.276	2.880	0	1	BFAF	
Clc1ccc(-c2noc3c2CCNCC3)cc1	1857642129	IYYKRUUXDACSBG-UHFFFAOYSA-N	248.713	2.683	0	1	BFAF	
CC1=CC2=CC(C)(C)C[C@]2(O)[C@@](C)(O)C12CC2	2356607766	QBVVHCHYSZWSDG-DZGCQCFKSA-N	234.339	2.565	0	1	BFAF	
CCCCCC[C@@H](O)c1cc(OC)cc(=O)o1	2356779274	PWEKKOYBULKAHZ-LLVKDONJSA-N	240.299	2.652	0	1	BFAF	
FCc1ccc(CNc2ncccn2)cc1	203054502	VIIJEINJWVDDFS-UHFFFAOYSA-N	217.247	2.558	0	1	BFAF	
CC(=O)O[C@@H](CCc1ccoc1)C(C)C	238743505	TWTAEVQXEMVQFO-LBPRGKRZSA-N	210.273	2.800	0	1	BFAF	
CC(C)[C@@](C)(O)c1nc2ccc(F)c(F)c2[nH]1	586887446	IESVFUDLXDHULV-GFCCVEGCSA-N	240.253	2.705	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1	586892784	WMXTXMZLOXQDRT-KGFZYKRKSA-N	236.706	2.862	0	1	BFAF	
Cc1cc2[nH]c(C(F)(F)C(F)F)nc2c(C)n1	587088739	AXMIZPKIOVUFQP-UHFFFAOYSA-N	247.195	2.932	0	1	BFAF	
Cc1c(F)ccc2nc(C[C@H](C)N(C)C)[nH]c12	587192560	VNJBDOOKXVMHBG-QMMMGPOBSA-N	235.306	2.503	0	1	BFAF	
CC1(C)[C@H]2C[C@@](C)(O)C[C@@H]3CC[C@](C)(O)[C@@H]3[C@H]21	2356651614	TYUOUBYXWCSPRN-ZVOPPPCBSA-N	238.371	2.581	0	1	BFAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@]1(CO)CC[C@H]1[C@@](O)(C3)C2	2356691749	VWXJFXQIBPYSRN-FGZZBPHYSA-N	248.366	2.502	0	1	BFAF	
CCCCc1noc(C2=CC[C@@H](C)N(C)C2)n1	3775801	WNRAOSAOOYURKP-SNVBAGLBSA-N	235.331	2.520	0	1	BFAF	
C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@H](CO)CC[C@@H]12	38954650	FFVCMXOAPCVMHQ-UXOAXIEHSA-N	249.354	2.824	0	1	BFAF	
Cc1ccnc(-c2cc3n(n2)CCCC3)c1	96911183	CQLQFGVGAKOEFO-UHFFFAOYSA-N	213.284	2.590	0	1	BFAF	
Cc1nccc2c1C(=O)OC21CCCCC1	103253527	CXFPVKLWHUIJTR-UHFFFAOYSA-N	217.268	2.720	0	1	BFAF	
Oc1ccc2ncn(-c3cccc(Cl)c3)c2n1	118263570	NUNMVPFOFAWOCB-UHFFFAOYSA-N	245.669	2.780	0	1	BFAF	
C[C@@H](O)Cc1nc2cc(Cl)c(Cl)cc2[nH]1	586892570	RVRAMBYFIRGWMK-RXMQYKEDSA-N	245.109	2.793	0	1	BFAF	
Cc1ccc(C)c2[nH]c([C@@H]3O[C@H]3C)nc12	586917317	QBNFWMPJQZXETG-GZMMTYOYSA-N	202.257	2.640	0	1	BFAF	
CCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587405265	KEYKDQZMVKIJSI-SECBINFHSA-N	219.284	2.711	0	1	BFAF	
CC(=CC(=O)N1CCCCC1)C(F)(F)F	2356311032	CMICLHNTUULKJB-UHFFFAOYSA-N	221.222	2.508	0	1	BFAF	
CO[C@@H]1C=C(C=Cc2ccccc2)OC(=O)C1	2356539581	SAGHRZGOMJHCOS-CYBMUJFWSA-N	230.263	2.546	0	1	BFAF	
CCc1nc(Cc2[nH]cnc2C)c(CC)s1	13802776	UGBRWRATXNXMJY-UHFFFAOYSA-N	235.356	2.890	0	1	BFAF	
CC1=C2C[C@]3(C)[C@H](C[C@@H]2OC1=O)C(=O)CC[C@H]3C	14619350	IXMDYOSMFGVWJY-ZWJSZMSLSA-N	248.322	2.644	0	1	BFAF	endogenous,in-man
CC(C)C1=CC[C@@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2C1	15265065	FNMDHMSGEIODFP-GBJTYRQASA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
Oc1nnc(C23CC4CC(CC(C4)C2)C3)s1	64448774	PYFMOPHZTGIDAC-UHFFFAOYSA-N	236.340	2.712	0	1	BFAF	
Clc1ccc([C@@H]2CC=CCNC2)cc1	95584417	IGHNBPCIIFLLHN-LLVKDONJSA-N	207.704	2.973	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2cnccc2[nH]1	586893286	XHKFJQDFHTXZBA-PELKAZGASA-N	201.273	2.862	0	1	BFAF	
CC[C@]1(C)C[C@](C)(C(F)(F)F)OC1=O	1857544595	BFJKFTNDFNNWRE-HTQZYQBOSA-N	210.195	2.671	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](CO)[C@@H]2C[C@@H]1O	2356323804	OAOAEDGPQMILBW-FQKPHLNHSA-N	238.371	2.604	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)[C@H](O)C[C@@H]2C(C)C)[C@H](O)C1	2356535938	CPFGTXNXFPHSEY-XJFOESAGSA-N	236.355	2.667	0	1	BFAF	
CC(=O)c1c(O)cc(C)c2c1C[C@@H](C)CC2=O	2356727481	PFLGBPNQIZRCNL-SSDOTTSWSA-N	232.279	2.668	0	1	BFAF	
CCCN(CCC)[C@@H]1CCn2ccc(C=O)c2C1	13642115	VELJFQQYEQHBOB-CQSZACIVSA-N	248.370	2.737	0	1	BFAF	
C/C1=C/COc2ccc(cc2)/C=C\C(=O)OC1	14677150	WPMGVJJSBNXOQS-XGBXBTFKSA-N	230.263	2.582	0	1	BFAF	endogenous,in-man
C[C@H](O)C[C@H]1OCC2=C1C(C)(C)CCC2	36456446	HVXDBUSLBFIKCT-GXSJLCMTSA-N	210.317	2.663	0	1	BFAF	
CN1CC[C@H]2C3C[C@@H]4C[C@H](C3)CC2(C4)C1	58536288	UCJWQMDBVPPJOW-VZANTVGXSA-N	205.345	2.764	0	1	BFAF	
COc1ccc(/C(C)=C/CN(C)C)cc1	73163022	KCGUVCXPYIUSBZ-PKNBQFBNSA-N	205.301	2.660	0	1	BFAF	
Clc1cc([C@H]2C[C@@H]3CC[C@@H]2N3)cnc1Cl	100023270	LYYHSRQOEYGVSA-XKSSXDPKSA-N	243.137	2.996	0	1	BFAF	
CCCCCCNC(=O)n1nnc2ccccc21	146914191	CWNPCDDKESBHOG-UHFFFAOYSA-N	246.314	2.569	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cncc(C)c2[nH]1	586908712	CXJPUYAHXHUQRI-JQWIXIFHSA-N	245.326	2.939	0	1	BFAF	
Cc1c(O)[nH]c2ccc(-c3csc(N)n3)cc12	958040017	UOOZCVMMVBIDNZ-UHFFFAOYSA-N	245.307	2.888	0	1	BFAF	
CC1=C[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]1[C@H](C)CO[C@H]12	2356695462	IAEABCWVVYXBSR-LACSLYJWSA-N	236.355	2.765	0	1	BFAF	
CC(C)[C@H]1CC[C@H]2O[C@@]3(C)CC[C@H]2[C@H]3[C@@H]1O	2356760282	VCHKQGGIARQOQS-HUXGKSLCSA-N	224.344	2.597	0	1	BFAF	
CC1=C(CC[C@H](C)O)C(C)(C)[C@@H](O)CC1	14587805	PCHNRWMSYBNCRR-JQWIXIFHSA-N	212.333	2.645	0	1	BFAF	biogenic
CC1=C2[C@@H](O)C(C)(C)C[C@@H]2[C@H](C)CC[C@@H]1CO	14769132	XFJROLBQWOPDSD-XIDUGBJDSA-N	238.371	2.748	0	1	BFAF	biogenic
C=Cc1ccc(-c2nc3nccc(N)c3[nH]2)cc1	586882003	QCUYTUAFTNJOEM-UHFFFAOYSA-N	236.278	2.850	0	1	BFAF	
O=C1CCC[C@@H](c2nc3cc(F)cnc3[nH]2)CC1	586885090	WBPUUBBVZUSJPG-MRVPVSSYSA-N	247.273	2.714	0	1	BFAF	
Clc1ncnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12	587968151	VPMCJQPZDDWKSX-XLPZGREQSA-N	246.701	2.686	0	1	BFAF	
N[C@H]1C[C@]1(F)c1cccc(C(F)(F)F)c1	1772584416	LJPHMJHDOGFZMY-IUCAKERBSA-N	219.181	2.601	0	1	BFAF	
Clc1cc2c(cn1)nnn2Cc1ccccc1	1857648438	SFGQYMOJXFUTIV-UHFFFAOYSA-N	244.685	2.528	0	1	BFAF	
CN(C)CCc1c[nH]c2ccc3c(c12)CCCO3	13527312	RMMYVKPVLLBYDW-UHFFFAOYSA-N	244.338	2.597	0	1	BFAF	
CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@H]21	13826575	DYVLYWKEJHHXOH-TZMCWYRMSA-N	231.339	2.591	0	1	BFAF	
CN1C(=O)CC[C@]2(C)c3ccccc3CC[C@@H]12	40641517	DUPYOBAMKICXQY-UKRRQHHQSA-N	229.323	2.511	0	1	BFAF	
C[C@H]1[C@@H](O)CC[C@@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	100783420	XALRSJNOMCWQJW-HYFYGGESSA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
CNc1ccccc1-c1nc(C(=O)OC)cs1	146631104	GADWTAUYJRJWRT-UHFFFAOYSA-N	248.307	2.638	0	1	BFAF	
COc1ccc2c(c1)[nH]c1c([C@@H](C)O)nccc12	1857745463	AKJAOGINASIGHV-MRVPVSSYSA-N	242.278	2.778	0	1	BFAF	
N[C]1SC=CN1Cc1ccc(Cl)cc1	2356872416	VFXUJIJAPDEPPX-UHFFFAOYSA-N	225.724	2.766	0	1	BFAF	
CC1=C2C[C@]3(C)C(=C[C@@]2(O)OC1=O)CCC[C@H]3C	14450178	VCKBXFCIXKWWAI-TURNYIBQSA-N	248.322	2.705	0	1	BFAF	biogenic
CC(C)C[C@H](C)OC(=O)Cc1ccncc1	26835602	LCGYDQQWQVOYFJ-NSHDSACASA-N	221.300	2.602	0	1	BFAF	
Cc1ccc2[nH]c3c(c2c1)C[C@H](N(C)C)CC3	39214012	AYXLCWIRNIVYDX-LLVKDONJSA-N	228.339	2.895	0	1	BFAF	
CCCCC(=O)c1c[nH]c2ccccc2c1=O	40892917	JYKXGGXAKPOFML-UHFFFAOYSA-N	229.279	2.901	0	1	BFAF	
CC1=CC2=C(CC(C)(C)[C@H]2O)[C@H](C)CC[C@@H]1O	96911612	IHFBKYWCINTNIX-IIMNLJJBSA-N	236.355	2.811	0	1	BFAF	
c1ccc2c(c1)C[C@@H]1N[C@@H]2c2ccccc21	100649176	SAWOLAINNGNEPL-GJZGRUSLSA-N	207.276	2.976	0	1	BFAF	
C[C@H](Sc1c[nH]c(=O)c(O)c1)c1ccccc1	206398138	HBUCBADQRTWJBH-VIFPVBQESA-N	247.319	2.934	0	1	BFAF	
C=Cc1ccc(-c2nc3c(=N)[nH]ccc3[nH]2)cc1	586882024	REVDPKGKSTVUIQ-UHFFFAOYSA-N	236.278	2.680	0	1	BFAF	
CC(C)C[C@H](O)c1nc2cc(F)c(F)cc2[nH]1	586901610	UHFKDODTRFMPFY-NSHDSACASA-N	240.253	2.921	0	1	BFAF	
Nc1cccc(O)c1-c1nc2cccc(F)c2[nH]1	587250365	NKUWHHYOILINDP-UHFFFAOYSA-N	243.241	2.657	0	1	BFAF	
CCC[C@H](c1nc2c(O)ncnc2[nH]1)C(C)C	587956591	UAVGIKSBWGIEKI-QMMMGPOBSA-N	234.303	2.598	0	1	BFAF	
CCCCCc1cc(O)c(C=O)c(O)c1C	1911577884	HGJPTHGLIAQYGB-UHFFFAOYSA-N	222.284	2.951	0	1	BFAF	
Cc1ccc(C)n1[C@H]1C(=O)N(C)c2ccccc21	206027554	YAJJWKXDOUFYQJ-CQSZACIVSA-N	240.306	2.671	0	3	BFAF	
CN1CC2(CCCCC2)[C@H](O)[C@]12C=CCCC2	1628821	BSGLKPBTNUWHAD-DZGCQCFKSA-N	235.371	2.722	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CO	15147894	SYSFCGLKPBVTDQ-CXTNEJHOSA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
C[C@@H]1CCCC2=CC[C@H]([C@@](C)(O)CO)C[C@]21C	15200799	XJXXJYGANFEEDD-UNQGMJICSA-N	238.371	2.892	0	1	BFAF	biogenic
C[C@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@H]21	135853616	FMBYQEIJDWNYNT-AGKDPIEYSA-N	228.339	2.815	0	1	BFAF	
O=c1c2ccccc2cc(O)n1-c1ccccc1	169692284	ACFNXSOWAFGYGK-UHFFFAOYSA-N	237.258	2.696	0	1	BFAF	
COC(=O)C[C@H](O)CCCCCCC(C)C	196101312	OFNZBCNNRQHOLI-GFCCVEGCSA-N	230.348	2.907	0	1	BFAF	
CC[C@@H](C)Nc1nc(N2CCC[C@H]2C)ncc1C	299877458	HIEJAABYPYIMNJ-VXGBXAGGSA-N	248.374	2.984	0	1	BFAF	
Cc1nccc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12	587966151	AVYANZBFQAUBFW-HBNTYKKESA-N	225.295	2.946	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C=C[C@H]([C@@](C)(O)CO)C[C@]12C	2356774519	ZZHXTFNRDOZNKC-QMIVOQANSA-N	238.371	2.748	0	1	BFAF	
N[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@]1(O)c1ccccc1	17104543	QPSHWOZTWDCKIJ-SJXGUFTOSA-N	245.366	2.802	0	3	BFAF	
COC(=O)c1c(O)cc2c(c1C)C=CC(C)(C)O2	14511331	LYWQOYXTJXSKEK-UHFFFAOYSA-N	248.278	2.671	0	1	BFAF	biogenic,in-vitro
CCC[C@@H](C(=O)c1ccc(N)cc1)N1CCCC1	42920392	DUNXFOYJTLLKNQ-AWEZNQCLSA-N	246.354	2.716	0	1	BFAF	in-vivo
S=C(CCCc1ccccc1)N1CCOCC1	49088289	PMANHGDZUFASIS-UHFFFAOYSA-N	249.379	2.669	0	1	BFAF	
Clc1cc2c(cn1)[C@H]1[C@H](CC2)[C@H]2CC[C@H]1N2	299810112	HYHQVGSPVWWXJX-UORFTKCHSA-N	234.730	2.515	0	1	BFAF	
Cc1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1C	587191981	QBBNNGOAZOAUJD-JTQLQIEISA-N	231.343	2.672	0	1	BFAF	
Cc1cc(C)c2c(c1)c(C)cc(C)[n+]2C	1772602909	WZGYOGSXPDZNEM-UHFFFAOYSA-N	200.305	2.898	0	1	BFAF	
CC=C(C)C(=O)Oc1cc(C)ccc1[C@H](C)CO	2356550972	WLQGAANKDYIUIO-GFCCVEGCSA-N	248.322	2.962	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@H]2[C@H]([C@@H](C)C[C@H]2O)[C@@H]1O	2356557160	BUEONAAYGVOTFR-DJIVWJMOSA-N	240.387	2.683	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2CC[C@@](C)(C2)[C@H]1O)CO	2356696095	HXGLSGRFISFKKO-LJISPDSOSA-N	238.371	2.892	0	1	BFAF	
CCCC(=O)CC=CC[C@H]1OC(=O)C[C@@H]1C	2356721504	GVXCZAWBYHCYJS-CMPLNLGQSA-N	224.300	2.644	0	1	BFAF	
C=C1CC[C@H]2C(=C)C(=O)O[C@H]2C=C(C)CCC1=O	1566154	DINAUSDUEQEZGW-JSGCOSHPSA-N	246.306	2.730	0	1	BFAF	biogenic
CCC[C@H](C(=O)c1ccc(O)cc1)N1CCCC1	13682075	XCHIECWEKDGHNL-CQSZACIVSA-N	247.338	2.839	0	1	BFAF	
c1ccc(CN2C[C@@H]3CSC[C@H](C3)C2)cc1	100058642	GGVNYPLCGOIQCO-ZIAGYGMSSA-N	233.380	2.872	0	1	BFAF	
Clc1cncc(C2=C[C@@H]3CNC[C@@H](C2)C3)c1	101577002	PQBYYZBQJKBZMS-NXEZZACHSA-N	234.730	2.748	0	1	BFAF	
CC(C)[C@H](/C=C/[C@H](C)O)CC[C@H](C)CO	263600859	KMASBAKBQVORTA-XOGUKDBDSA-N	214.349	2.604	0	1	BFAF	
CN1CCC[C@@H]2Cc3cc(Cl)c(O)cc3[C@@H]21	299832799	WAIIEGCUZOAHGT-AMIZOPFISA-N	237.730	2.985	0	1	BFAF	
CCC[C@H]1CC(=O)c2ccc(O)cc2O1	299836553	NOKRIXCEWXWMLZ-VIFPVBQESA-N	206.241	2.526	0	1	BFAF	
Cc1cncc2nc([C@H](C(C)C)N(C)C)[nH]c12	587198933	REIDSWPOUQSWJF-LBPRGKRZSA-N	232.331	2.525	0	1	BFAF	
O=C1c2ccccc2-c2nc3cscc3nc21	1857573391	QZOKHPZJELANJQ-UHFFFAOYSA-N	238.271	2.903	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1[C@H](c3cnc[nH]3)[C@H]21	13554829	SVYVZZUTGJVKNX-NWANDNLSSA-N	240.306	2.862	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@H]21	29481459	WIKOGZYEVQUKEV-YTDSDZJUSA-N	236.355	2.789	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O	34172613	SFJOMLIUSIKKRA-CUZKYEQNSA-N	238.371	2.725	0	1	BFAF	
CCN(C)[C@@H]1CCc2c(cccc2OC)C1	39249745	NRJKZWUNXDEHEF-GFCCVEGCSA-N	219.328	2.504	0	1	BFAF	
O=C(O)c1cn2c(ccc3c(Cl)cccc32)n1	39281649	KZXKPHSQIDDNFQ-UHFFFAOYSA-N	246.653	2.839	0	1	BFAF	
Clc1ccc([C@@H]2C[C@@H]3CC[C@@H]2NC3)cn1	100057736	JZQKWOHBHFFOKX-LSJOCFKGSA-N	222.719	2.591	0	1	BFAF	
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@@H]2[C@]34C1	103301627	BCZFSDNVXODRAJ-WZYWGQKZSA-N	247.382	2.866	0	1	BFAF	
COc1cc(-c2ccccc2)oc1CCCO	238775053	MOBAYKZFVBNHTJ-UHFFFAOYSA-N	232.279	2.880	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2cccnc2[nH]1	586892731	VYHAHQOPULJJTL-PELKAZGASA-N	201.273	2.862	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1C[C@@H]1C)O2	587405886	NYXBPELMXGRDPA-MWODSPESSA-N	231.295	2.567	0	1	BFAF	
CC(C)(C)c1ccc([C@@H]2C=C(C(=O)O)NO2)cc1	958575040	QUBXMAVDNLWEJF-LBPRGKRZSA-N	247.294	2.529	0	1	BFAF	
[O-][N+]1=C(c2ccccc2)COc2ccccc21	1624795	QGPSJQQNOWKCRD-UHFFFAOYSA-N	225.247	2.710	0	1	BFAF	
CC[C@@]12CCC[C@@]13C=C[C@H](O3)C(C)(C)C2=O	5883130	NRZCFVLKRLYNNH-LEWSCRJBSA-N	220.312	2.869	0	1	BFAF	
COc1ccc2[nH]cc([C@H]3CCN(C)C3)c2c1	13801321	ISLZNKXLIRVSJS-JTQLQIEISA-N	230.311	2.596	0	1	BFAF	
CCc1cccc(CC)c1O[C@@H](C)C1=NCCN1	27705888	OXGCVSXSSWZTMU-NSHDSACASA-N	246.354	2.580	0	1	BFAF	
CN[C@]12CCCC[C@H]1Cc1cc(OC)ccc12	27742094	OZGFUUQXLIIVPN-SWLSCSKDSA-N	231.339	2.856	0	1	BFAF	
C[C@H]1C[C@H](O)CCCC/C=C\CCCC(=O)O1	33841425	PJUSYCAFQVDQIH-GQYCNYHZSA-N	240.343	2.970	0	1	BFAF	
C[C@H]1Cc2nc3cc4[nH]ncc4cc3nc2[C@@H]1C	64448537	HOVDTOOFGJIJAJ-JGVFFNPUSA-N	238.294	2.802	0	1	BFAF	
CCCCNc1nc(N2CCC[C@H]2C)ncc1C	82201636	KLZZSVXJMRSGKP-GFCCVEGCSA-N	248.374	2.986	0	1	BFAF	
CC1=C2C[C@@](C)(CO)C[C@H]2C[C@]2(C)CC[C@]12O	84690539	SZKPCSUWTGDNTP-MXAVVETBSA-N	236.355	2.646	0	1	BFAF	
Oc1cc2cc(Br)c(Cl)[nH]c-2n1	957569325	QGWPLWIMXZEVHQ-UHFFFAOYSA-N	247.479	2.636	0	1	BFAF	
CCCCCC[C@@H]([C@H](C)O)n1ccnc1	12405525	NEUJWNIPOOBBPG-RYUDHWBXSA-N	210.321	2.775	0	1	BFAF	
CC[C@]1(C)SC(NC2CCCCC2)=NC1=O	14978689	HUSBDBOEELVCKP-LBPRGKRZSA-N	240.372	2.707	0	1	BFAF	
Cc1ccc(-n2nncc2-c2ccccn2)cc1	26165082	KEJNXSZQSLXLSK-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
CCN(CC)c1nc2c(C)ccc(C)c2c(=O)o1	27526202	JNPZHKSOWSWFNX-UHFFFAOYSA-N	246.310	2.651	0	1	BFAF	
CC1(C)Cc2c(Cl)cccc2C=[N+]1[O-]	34502804	BLRXELABUAQKGI-UHFFFAOYSA-N	209.676	2.604	0	1	BFAF	
CCC(/C=C/C(=O)O)=C\c1ccc2c(c1)OCO2	40913863	HAPJYNQWLWVDEY-AGLLBGTNSA-N	246.262	2.850	0	1	BFAF	
C[C@@H]1[C@@H](O)CC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	85757327	XALRSJNOMCWQJW-IHWVXMPCSA-N	240.387	2.971	0	1	BFAF	in-man
CN(C)c1ccc(-c2cc3[nH]ccnc-3n2)cc1	100828060	HATFBGNMXRZIAT-UHFFFAOYSA-N	238.294	2.643	0	1	BFAF	
Cc1nc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c2cc[nH]c2n1	101348983	LJOYPUGKYGHJAF-FOGDFJRCSA-N	242.326	2.867	0	1	BFAF	
CC[C@]1(C(=O)NC(C)C)[C@@H](C)C1(Cl)Cl	103297041	MISGYOHQVPVOLA-VXNVDRBHSA-N	238.158	2.731	0	1	BFAF	
Cc1ccc2c(c1)c(N)c(O)n2C(C)C	957968171	JHPUDBWBHVAUEY-UHFFFAOYSA-N	204.273	2.818	0	1	BFAF	
CC=C1C[C@H]2C=Nc3ccccc3C(=O)N2C1	2356616808	GYUDGZRJHSDPLH-NSHDSACASA-N	226.279	2.563	0	1	BFAF	
CC1(C)CCN2C(=O)[C@@]34CCC[C@H]3C[C@]21S4	5963609	YNWINBYEJRPYBT-ZWKOPEQDSA-N	237.368	2.631	0	1	BFAF	
C/C(=C\CC[C@]1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2)CO	14919420	FUCSWNUANQRDFQ-OBSWSMNXSA-N	238.371	2.892	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1[C@H](O)CCC[C@@H]21	26271174	QVONKCBUMIKHBA-JGGQBBKZSA-N	246.374	2.575	0	1	BFAF	
CC[C@@]12CCN(C)[C@@H](Cc3ccc(O)cc31)[C@@H]2C	31333689	QGWPXULEDXWEKR-UVBJJODRSA-N	245.366	2.936	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H]3[C@@H]21	43764064	DWNPMJOWAWGIMM-RQVRSSQJSA-N	238.371	2.581	0	1	BFAF	
COc1ccc(/C=C(/CCC(C)=O)[N+](=O)[O-])cc1	84653784	GXBHYWIDKMMHQS-XFXZXTDPSA-N	249.266	2.682	0	1	BFAF	
CN1[C@H]2CC=C(c3ccc(Cl)nc3)[C@H]1CC2	100025356	PWTGETLSBCHUOY-CMPLNLGQSA-N	234.730	2.985	0	1	BFAF	
Cc1n/c(=N\c2ccc(Cl)cc2)sn1C	103181266	SQNMTPGQJQWCBC-JLHYYAGUSA-N	239.731	2.676	0	1	BFAF	
C/C=C/CCC(=O)c1cc(O)cc(OC)c1C=O	238731025	PFDPEZDRLNTEHP-ONEGZZNKSA-N	248.278	2.752	0	1	BFAF	
Fc1c(Br)ccc2c1CC=N2	238809065	IHLGCVQKIXNXST-UHFFFAOYSA-N	214.037	2.847	0	1	BFAF	
CC(C)(C)C(=O)N1N=CC[C@H]1C1CCCC1	1857566744	CCHKZGBBNLGJND-NSHDSACASA-N	222.332	2.809	0	1	BFAF	
CCNc1cc2c3c(c1)CCCN3CCC2	5501939	LMJLPFBYTCQPAL-UHFFFAOYSA-N	216.328	2.817	0	1	BFAF	
CCC(=O)[C@H](C)C[C@H](C)[C@@H](CC)OC(C)=O	14448069	AUERNSKMEZMHFW-GBIKHYSHSA-N	228.332	2.970	0	1	BFAF	biogenic
CCOc1ccc2c(c1)C=CC1(CCNCC1)N2	28006226	VCJSKQRQWGGFGZ-UHFFFAOYSA-N	244.338	2.646	0	1	BFAF	
COc1cccc(C(=O)[C@@H](C)N2CCCCC2)c1	45301620	VIWKHXNVEIOPSC-GFCCVEGCSA-N	247.338	2.752	0	1	BFAF	in-vivo
Cc1nc(Cl)ccc1[C@@H]1C[C@@H]2CC[C@@H]1N2	101156085	CEIOZCMVGWULLM-LSJOCFKGSA-N	222.719	2.651	0	1	BFAF	
C[C@@H](c1ccccc1)C1CC(=O)CC(=O)C1	102918010	PHCHXVBFAARFQC-JTQLQIEISA-N	216.280	2.728	0	1	BFAF	
Cc1ccc(C)c(Cc2c(C)nc(C)[nH]c2=O)c1	18204280	INHHDECYXVWPQT-UHFFFAOYSA-N	242.322	2.594	0	3	BFAF	
CCN(CC)C1Cc2cc(OC)c(OC)cc2C1	13471366	YLQYDQLRPRYDJH-UHFFFAOYSA-N	249.354	2.513	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=O	136299340	XLZVKKAUANEKGL-UQXKVLDMSA-N	236.355	2.789	0	1	BFAF	
C[C@H]1C(=O)CC=C2CC[C@H](C(C)(C)O)C[C@H]21	238748593	NBOAZLRJZITJPD-USWWRNFRSA-N	222.328	2.709	0	1	BFAF	
C[C@@H]1CC[C@@]2(C)[C@@H]3C(=O)OC[C@]12Cc1occc13	238774605	BLBXGSKOYPSCNN-WNPSNZDDSA-N	246.306	2.899	0	1	BFAF	
CC=C[C@@H](CC)ON1C(=O)c2ccccc2C1=O	2356858299	SYOWXNFNBXQSTK-SNVBAGLBSA-N	245.278	2.569	0	1	BFAF	
CNc1nc2c3ccccc3n(C(C)=O)c2s1	563597	QVQCASZGYCRDCC-UHFFFAOYSA-N	245.307	2.953	0	3	BFAF	
CC(=O)N/C=C/c1ccc(C(F)(F)F)cc1	28705419	IHQYPPBXFSUTLQ-VOTSOKGWSA-N	229.201	2.812	0	1	BFAF	
CN1C[C@H](C23CC4CC(CC(C4)C2)C3)N(C)C1=O	28817656	FNTPTBNBDIMSBE-OEXLFXSVSA-N	248.370	2.569	0	1	BFAF	
CN(C)c1ncc(/C=C/c2ccccc2)cn1	66074314	JHGOGVWVJGHTTP-CMDGGOBGSA-N	225.295	2.713	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CO	85661928	SYSFCGLKPBVTDQ-QVHKTLOISA-N	238.371	2.748	0	1	BFAF	in-man
CC[C@H]1OCCC[C@H]1c1nc2cccnc2[nH]1	586914097	UJLXBTTWGIZZOC-MWLCHTKSSA-N	231.299	2.631	0	1	BFAF	
C[C@H]1C(=O)Cc2c1nc1cccc3c1c2CC3	587215921	WRVCWORHYXEUQJ-QMMMGPOBSA-N	223.275	2.562	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1O[C@H]1CC4)CC2	587216660	IRPQURCRWBJZGV-SWLSCSKDSA-N	223.275	2.720	0	1	BFAF	
CC(C)(C)c1ccc2nc([C@H](N)C3CC3)[nH]c2n1	587255554	KVPFTRACZHVKEF-LLVKDONJSA-N	244.342	2.665	0	1	BFAF	
CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1N	587638775	VKBHRNDJVNZAOB-UHFFFAOYSA-N	232.283	2.746	0	1	BFAF	
C[C@@H]1CC[C@]23[C@H](C[C@]2(C)O)[C@@H](O)C(C)(C)C[C@H]13	2356810186	AXCJETACEBDQFV-YTDSDZJUSA-N	238.371	2.581	0	1	BFAF	
C[C@H]1CC[C@@]2(O1)[C@H](C)C(=O)CCC2(C)C	6037689	UGLUSFJDQNOYMH-OPQQBVKSSA-N	210.317	2.949	0	1	BFAF	
C=C1CCC(=O)[C@H](C)CC[C@@H]2[C@H]1C[C@@]2(C)O	14492895	SNRJRYXYMKILLJ-GFQSEFKGSA-N	222.328	2.709	0	1	BFAF	biogenic
FC(F)Oc1ccc2c(c1)C[C@H]1CNC[C@H]2C1	101022473	NUQOQQYEHCYTBU-PSASIEDQSA-N	239.265	2.537	0	1	BFAF	
CCCCC[C@@H]1CCC[C@H](CC(=O)OC)N1	213967651	DQQHRVKXFNWOFO-VXGBXAGGSA-N	227.348	2.641	0	1	BFAF	
C[C@H](SC[C@@H]1CC[C@H]2C[C@H]1C2(C)C)C(N)=O	299815288	NKUFVXRKKRVOQA-XWLWVQCSSA-N	241.400	2.666	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cc(C)cnc2[nH]1	586914951	ZXPIYWYVMXUVNE-JQWIXIFHSA-N	245.326	2.939	0	1	BFAF	
FC(F)(F)c1cnc2[nH]c(CC3CC3)nc2c1	587959460	NPSGGETVWQHTBA-UHFFFAOYSA-N	241.216	2.929	0	1	BFAF	
CCCCCCN=c1[nH]nc(-c2ccncc2)o1	1857758666	FHHGYUAENOMOHX-UHFFFAOYSA-N	246.314	2.546	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2[C@@H]1O	2356553266	SUNRMOIMPOGBOY-NLRWUALESA-N	240.387	2.971	0	1	BFAF	
C[C@@H]1CC[C@H]2[C@@]3(O)[C@H]1CC[C@@]3(C)C[C@@]2(C)CO	2356684058	IXPRLIUGGYJMBP-QZOBBIQNSA-N	238.371	2.582	0	1	BFAF	
CC1(C)[C@H](O)CC[C@]1(C)C1=CCC(CO)=CC1	2356806015	ZYWZWHQVYVGXQE-UKRRQHHQSA-N	236.355	2.813	0	1	BFAF	
CCN[C@H]1CCc2c(OC)ccc(Cl)c2C1	29213629	WAPNCIRBPQRYGU-VIFPVBQESA-N	239.746	2.815	0	1	BFAF	
C/C=C/[C@H]1C[C@H](O)c2cc(C)ccc2O1	39205795	VQTRDZXQXYYUPP-BMPPAVAUSA-N	204.269	2.756	0	1	BFAF	
O=C1C=CC[C@H](/C=C/C2CCCCC2)O1	207946397	LRLSZIADZABCOB-BZYZDCJZSA-N	206.285	2.995	0	1	BFAF	
CCCc1cc(=O)c2c(OC)cccc2o1	1857553985	NXPKLVRCZBVUOI-UHFFFAOYSA-N	218.252	2.754	0	1	BFAF	
Cc1cc(C2CCCCCC2)n(O)c(=O)c1	1857554610	TZLFIUDATAQTCP-UHFFFAOYSA-N	221.300	2.832	0	1	BFAF	
COc1cccc(C=CC(=O)O)c1C(C)C	2356382885	QWXXXRFASGFHKU-UHFFFAOYSA-N	220.268	2.916	0	1	BFAF	
CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2C(=O)CC(C)=CCC1	2356577851	URFIRNUWJNYBPE-XBFCOCLRSA-N	248.322	2.810	0	1	BFAF	
CCC1=CC[C@](C)(CC[C@H]2CCC(=O)O2)OC1	2356806332	VRSSQVLGPFLECG-TZMCWYRMSA-N	238.327	2.988	0	1	BFAF	
CC1(C)CCc2oc(=O)c3ccccc3c2O1	2356841371	NHUYGTCSYVBPOA-UHFFFAOYSA-N	230.263	2.897	0	1	BFAF	
CC(C)[C@H]1CC[C@]2(C)C(=O)CCC(CO)=C[C@H]12	14455710	GOLVWBBRGXFBMA-NFAWXSAZSA-N	236.355	2.957	0	1	BFAF	
CC[C@@H]1Oc2c(O)cccc2C12CCN(C)CC2	29479092	LQACPCZDXSYESU-ZDUSSCGKSA-N	247.338	2.527	0	1	BFAF	
O=C1c2ccccc2-c2nc3c(nc21)CCCC3	202390670	IEDHZIWDQFAZJQ-UHFFFAOYSA-N	236.274	2.567	0	1	BFAF	
C[C@@H](Oc1ccccc1)[C@H]1CCCN1C	473093480	UOPNAMLYCDNDDL-DGCLKSJQSA-N	205.301	2.548	0	1	BFAF	
CCc1nc2nc(O)nc(O)c2cc1[C@H](C)CC	587561104	LKRMOTFMMYMJLB-SSDOTTSWSA-N	247.298	2.512	0	1	BFAF	
Cc1cccc2nc(CCOCC3CC3)[nH]c12	587783358	PQFAVTDCOWPFMW-UHFFFAOYSA-N	230.311	2.840	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)C[C@](C)(O)[C@H]3C[C@@]312	2356708829	DQQQGAFDHZXUFN-SDJAHQOYSA-N	236.355	2.933	0	1	BFAF	
CC[C@H](c1ccccc1)n1cncc1C(=O)OC	13209441	OTUSPKGXEXTZSJ-GFCCVEGCSA-N	244.294	2.669	0	1	BFAF	
CS/C=C/C(=O)N(C)/C=C\c1ccccc1	38918436	NSAAZPOVMULKTO-PNQPDEHRSA-N	233.336	2.992	0	1	BFAF	
CC1=C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H](O)C[C@H]1O	39042321	GYYSPLLFNGCFSK-RGCMKSIDSA-N	238.371	2.891	0	1	BFAF	
CC(=O)c1c(O)cc(OCC=C(C)C)cc1O	64475169	PXVRWIKEAWHMND-UHFFFAOYSA-N	236.267	2.645	0	1	BFAF	
CCOC(=O)C1=C(C)[C@@H](CC(C)C)C(C)=N1	72135642	PTPXVYUWDJKYRH-LLVKDONJSA-N	223.316	2.960	0	1	BFAF	
Cc1nc2cc(-c3cccs3)nn2c(O)c1C	101510124	BVALGELYZWQXRJ-UHFFFAOYSA-N	245.307	2.780	0	1	BFAF	
Cc1ccc2c(c1)/C(=C/C(C)C)C[C@]2(O)CO	169328358	AKXHNODNODMVJN-MFMIUCCHSA-N	232.323	2.618	0	1	BFAF	
Nc1ncc(-c2ccccc2)c(C2CC2)n1	299831024	HZCPQVQKEFDUGZ-UHFFFAOYSA-N	211.268	2.603	0	1	BFAF	
Cc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1F	587190314	HMOSFAIVEXTAPJ-SECBINFHSA-N	235.306	2.503	0	1	BFAF	
CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@@]1(C)[C@@H](O)C2	2356529259	ZPMZHEDPVXDYLL-JURCDPSOSA-N	238.371	2.891	0	1	BFAF	
CCC1=CC[C@](C)(CC[C@@H]2CCC(=O)O2)OC1	2356806327	VRSSQVLGPFLECG-GXTWGEPZSA-N	238.327	2.988	0	1	BFAF	
O=C(Oc1cncc(Cl)c1)c1ccoc1	40753837	HUWOATYOYFFDMQ-UHFFFAOYSA-N	223.615	2.547	0	1	BFAF	
CSc1ccc(OC(=O)N(C)C)cc1C	103183600	JJPPEJSVLZELHN-UHFFFAOYSA-N	225.313	2.777	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)(C)O)CC[C@@H](C)[C@@]2(O)CC1	238757652	VGRWYWYZXQMAGQ-CXTNEJHOSA-N	238.371	2.891	0	1	BFAF	
C[C@@H]1[C@H](/C=C/c2ccoc2)ON2CCC[C@H]12	254074042	BEQCVWNTRFMCAF-RBYCGFLTSA-N	219.284	2.707	0	1	BFAF	
Clc1ncc2nc(C3=CCCC3)nc-2[nH]1	586885816	WZUKLCBUFZXLQD-UHFFFAOYSA-N	220.663	2.525	0	1	BFAF	
COc1ncc(F)cc1-c1nc2ccccc2[nH]1	587176614	XRNPEAZRSZVZLB-UHFFFAOYSA-N	243.241	2.773	0	1	BFAF	
CC(C)CC1=N[C@@H](c2ccccc2)OC1=O	3850377	KYMSVUGRBJTGBV-GFCCVEGCSA-N	217.268	2.729	0	1	BFAF	biogenic
CC(C)=CCOc1ccc(/C=C/C(=O)O)cc1O	28890669	JTVGQQGFUINMDB-GQCTYLIASA-N	248.278	2.835	0	1	BFAF	
O=C(COc1ccccc1)c1ccc(Cl)nc1	73161945	XSZBZDUEEAVSKX-UHFFFAOYSA-N	247.681	2.997	0	1	BFAF	
COc1ccc([C@H]2CN3CCCC[C@@H]3CO2)cc1	169315898	VBWZSTYUCACGIZ-UKRRQHHQSA-N	247.338	2.621	0	1	BFAF	
c1ccc2c(c1)CC[C@H]1[C@H](c3c[nH]cn3)[C@H]21	195373799	JRSOAPYTPOYVTE-MRVWCRGKSA-N	210.280	2.853	0	1	BFAF	
Cc1c(Cl)ccc2nc([C@@H]3O[C@H]3C)[nH]c12	586917475	QTDRZGYEZBTRLF-QUBYGPBYSA-N	222.675	2.985	0	1	BFAF	
c1ccc2cc(C3[N@]4CCC[N@@]34)ccc2c1	1857622290	OZXRPFRWXFYYMZ-HOTGVXAUSA-N	210.280	2.775	0	1	BFAF	
[O-][n+]1ccc2ccnc3c2c1-c1ccccc1-3	6582791	OEFOMVQWNBXRQW-UHFFFAOYSA-N	220.231	2.516	0	1	BFAF	
Nc1cc(-c2ccccc2)ccc1CC(=O)O	27521188	SQBDSCWLHSMSHG-UHFFFAOYSA-N	227.263	2.563	0	1	BFAF	
CSc1ccc(C[C@@H](C)N(C)O)cc1	49013994	SQRQFCPZJCFFPA-SECBINFHSA-N	211.330	2.661	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@]3(C)CCC(CO)=C3[C@H]2C1	2356324170	HGQHREUJQQAMKD-ZIBATOQPSA-N	234.339	2.711	0	1	BFAF	
CC1=C2[C@H](O)[C@H]3CC[C@@H](C)[C@@]2(C[C@H]1O)C3(C)C	2356536344	JWRIVMKRTJGBEB-XMWARYMYSA-N	236.355	2.501	0	1	BFAF	
C[C@@H]1CCCC2=C[C@H](O)[C@H](C(C)(C)O)C[C@]21C	2356691044	VYLHYKHUCVHIKW-PBOSXPJTSA-N	238.371	2.891	0	1	BFAF	
CCCCN1C(S)=NC[C@@H]1[C@H](C)CC	15952980	WQKKLALCOPZDFO-NXEZZACHSA-N	214.378	2.803	0	3	BFAF	
CCCCNc1nc(SC)nc2ncccc12	5821346	XQEJVKQYWYLGAA-UHFFFAOYSA-N	248.355	2.959	0	1	BFAF	
Cc1oc(C)c2c1CCCc1c[nH]nc1-2	13537788	LEPIICHYCCQEEY-UHFFFAOYSA-N	202.257	2.775	0	1	BFAF	
CCCCCNC[C@H]1CCc2ccc(O)cc2O1	13775947	DOZIVYHWZVQTFR-CQSZACIVSA-N	249.354	2.866	0	1	BFAF	
c1ccc(C2=NO[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1	17210375	YNXKJMWFYRXAGQ-CZXHOFHRSA-N	213.280	2.836	0	1	BFAF	
NC[C@H]1C2CCC(CC2)[C@H]1c1ccc(N)cc1	28003919	PXLQESYVKGYUPE-HBGGEXNNSA-N	230.355	2.747	0	1	BFAF	
O=C(/C=C/c1ccco1)Oc1cncc(Cl)c1	40977385	FEXRTHHYHCFLQP-ONEGZZNKSA-N	249.653	2.947	0	1	BFAF	
CN(C)c1nccc(/C=C/c2ccccc2)n1	58511527	JTEGYPWWUFLNOI-CMDGGOBGSA-N	225.295	2.713	0	1	BFAF	
C[C@H]1C[C@@H]2CC(=O)[C@@H]3CCCN4CCC[C@@H]2[C@]34C1	169347202	BCZFSDNVXODRAJ-HCZIRCDUSA-N	247.382	2.866	0	1	BFAF	
C[C@@H]1C(=O)C[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	238755781	HWEHIFXAABIPOR-RDRQHUDQSA-N	236.355	2.645	0	1	BFAF	
Cc1cccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c12	586899416	OOQHIYDKOWHKBK-PHIMTYICSA-N	230.311	2.890	0	1	BFAF	
COc1ccc2c(c1)[nH]c1c([C@H](C)O)nccc12	1857745464	AKJAOGINASIGHV-QMMMGPOBSA-N	242.278	2.778	0	1	BFAF	
Cc1ccc(C(C)C)c2c1C(=O)[C@H](O)[C@@H](C)C2	14445126	ZLJFAKPVJPQXDI-IINYFYTJSA-N	232.323	2.854	0	1	BFAF	biogenic
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1	15265063	FNMDHMSGEIODFP-APIJFGDWSA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
Cc1cc(C)c2c(c1)C(=O)[C@H](CN(C)C)CC2	299827948	QLRGOVLPLXDFQR-LBPRGKRZSA-N	231.339	2.610	0	1	BFAF	
Oc1c(F)cc(F)cc1-c1nc2cnccc2[nH]1	587134316	MRIGKUAAEDEEOE-UHFFFAOYSA-N	247.204	2.609	0	1	BFAF	
OC[C@@H]1CCCc2nc3cccc4c3c(c21)CC4	587216155	UEKJZFBIGXUKBX-NSHDSACASA-N	239.318	2.746	0	1	BFAF	
CN1C=CN(CCC(C)(C)C)C1=CN=O	1857742663	JHAWIDQFHGMGHH-UHFFFAOYSA-N	209.293	2.707	0	1	BFAF	
CC(C)=CCc1cc(C=CC(=O)O)ccc1O	2356537092	HZKNHDLUFBYIQN-UHFFFAOYSA-N	232.279	2.999	0	1	BFAF	
Cc1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1	1618480	JNFIGKJFZMHBHN-UHFFFAOYSA-N	237.258	2.822	0	1	BFAF	
CCCN1CC[C@H]2c3cccc(O)c3CC[C@H]21	13826523	SHOJVFLWKSRVPH-GXTWGEPZSA-N	231.339	2.906	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(=O)C=C12	14492890	QSCUHKDLNLVMNB-JKOKRWQUSA-N	222.328	2.709	0	1	BFAF	biogenic
C[C@H]1CCC=C2CC[C@@H]([C@@](C)(O)CO)C[C@]21C	15200782	UKZMUEWDUOSZAL-ATGSNQNLSA-N	238.371	2.892	0	1	BFAF	
NC[C@H]1C2CCC(CC2)[C@@H]1c1ccc(N)cc1	28003906	PXLQESYVKGYUPE-RLNQVHQUSA-N	230.355	2.747	0	1	BFAF	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)OCCO	38219001	JFKCVAZSEWPOIX-TUAOUCFPSA-N	244.331	2.593	0	1	BFAF	endogenous,in-man
COc1c(O)cc(CCc2ccccc2)cc1O	40899101	UXZPELIPQAUZMK-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	biogenic,in-vitro
CCCCC1=C2NC(N)=N[C@@H]3CC[C@@H](C[C@@H]1C)[C@@H]23	140782768	MGZKFJKGMKJURC-YRRQLQLVSA-N	247.386	2.783	0	1	BFAF	
Fc1cc(F)cc(Nc2n[nH]c3cccnc23)c1	167045614	PHZLBOTWNAQTGD-UHFFFAOYSA-N	246.220	2.980	0	1	BFAF	
N=C(N)SCc1ccc(-n2cccc2)cc1	653719665	ZAAPFJHZMHIVIW-UHFFFAOYSA-N	231.324	2.604	0	1	BFAF	
COc1cccc([C@H](C)CCN2CCOCC2)c1	1772592843	ZSPKBCIUIKSACS-CYBMUJFWSA-N	249.354	2.521	0	1	BFAF	
Cc1cccc(/C=C/c2ccc(O)nn2)c1	1857543793	JTRLCDAPHJVMCM-AATRIKPKSA-N	212.252	2.661	0	1	BFAF	
O=C(O)/C(S)=C/c1c(F)cccc1Cl	1857751235	CSCODCXROAAURC-YWEYNIOJSA-N	232.663	2.834	0	1	BFAF	
COC[C@@]1(O)C[C@H]2[C@H]3CCC[C@@]2(C)[C@@]1(C)C3	2356779720	XADQQELMSKPYCU-QNSTZXKLSA-N	224.344	2.600	0	1	BFAF	
Cc1ncnc(Nc2ccc(Cl)cc2)n1	72187795	DOMYFYOOTCKAFM-UHFFFAOYSA-N	220.663	2.577	0	3	BFAF	in-vitro
SC1=N/C(=C/c2ccco2)C(Cl)=N1	6512986	WOSSWUIZIBDNNL-GQCTYLIASA-N	212.661	2.557	0	1	BFAF	
CC1CCN(C[C@H]2Cc3ccccc3C2=O)CC1	13449581	FBFCEJZVMXVAGL-CQSZACIVSA-N	243.350	2.774	0	1	BFAF	
CC(C)(O)/C=C\[P@](C)(=O)c1ccccc1	17251450	NIPXRPWOSZSPPP-KVPUOBJLSA-N	224.240	2.589	0	1	BFAF	
CC1=NN(C(=O)OCCC(C)C)[C@@H](C)N=N1	40505023	BIDMWSAAGBPKNH-VIFPVBQESA-N	226.280	2.616	0	1	BFAF	
COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1O2	100796020	VEWNLDNSIXATRX-SYQHCUMBSA-N	246.306	2.511	0	1	BFAF	
O=NC=C1C=CN(Cc2ccco2)C=C1	139440895	VWBBBUKHZMWGNE-UHFFFAOYSA-N	202.213	2.773	0	1	BFAF	
Cc1nc2cccc3c2c(c1[C@@H](C)C(=O)O)CC3	587215514	PPTKKUMHIPZUGL-MRVPVSSYSA-N	241.290	2.830	0	1	BFAF	
C[C@@]12N[C@@H](Cc3ccccc31)c1cc(O)ccc12	27884800	ZDZGEYKVIKYFLF-JKSUJKDBSA-N	237.302	2.856	0	1	BFAF	
C[C@@H]1CC[C@@H]2c3ccc(O)cc3CC[C@H]2[C@H]1O	35050038	UTGZSYOCMLNADB-QUAZDUCUSA-N	232.323	2.829	0	1	BFAF	
CCCCc1cn(CC(=O)c2ccccc2)nn1	66252240	PMHOJIHIWUKTMO-UHFFFAOYSA-N	243.310	2.504	0	1	BFAF	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccccc2[nH]1	587960935	CTTYFIXXYWUCHT-UWVGGRQHSA-N	228.295	2.721	0	1	BFAF	
CC(C=CC(=O)O)=CC=CCCC[C@H](C)O	2356619230	XUQIFDLHGYJREE-LBPRGKRZSA-N	224.300	2.681	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)c3cnccc3[C@@](C)(O)[C@@H]2C1	2356636298	CCLDZVYWGHUMES-TURKWSHLSA-N	245.322	2.538	0	1	BFAF	
CCOC(=O)/C=C/[C@H]1CCc2cccc(C)c2O1	36387721	NNMXEUSQQDZRQD-WTNCMQEWSA-N	246.306	2.808	0	3	BFAF	
CC(=O)Nc1ccc(NCCc2ccco2)cc1	95567289	RPUOWMIRJYEEFR-UHFFFAOYSA-N	244.294	2.893	0	3	BFAF	
CCCc1cc(/C=C2\CN3CCC2CC3)on1	21938	VTWXUYYOADEUJK-XYOKQWHBSA-N	232.327	2.736	0	1	BFAF	
CC1=C2c3cc(C)ccc3[C@@H](C)C[C@@]2(O)OC1=O	14445091	PLJGICLYVCMFRO-BJOHPYRUSA-N	244.290	2.521	0	1	BFAF	biogenic
CCn1c(C)cs/c1=N/C(=O)c1ccccc1	100903664	QGSJABAKNUXEDA-BUHFOSPRSA-N	246.335	2.619	0	1	BFAF	
O=c1ccoc(-c2cc(O)cc(Cl)c2)c1	205836388	JNJRAKDIWIQAEY-UHFFFAOYSA-N	222.627	2.666	0	1	BFAF	
C[C@H](O)Cc1nc2ccc(C(C)(C)C)cc2[nH]1	586892522	RJLHTZOWHSVBJQ-VIFPVBQESA-N	232.327	2.784	0	1	BFAF	
OCC=C(Cc1ccccc1)c1ccccn1	2356501305	UTVNYKLBXWXEQP-UHFFFAOYSA-N	225.291	2.700	0	1	BFAF	
CC1=CCC[C@](C)(O)[C@@H]2C[C@@H]2C(C)(C)C[C@H]1O	2356511454	BOAGSZAUIQYYAY-JLNYLFASSA-N	238.371	2.891	0	1	BFAF	
CN1CC=C(CCc2ccccc2)CC1	5966252	AKIZTFFVTCWKKB-UHFFFAOYSA-N	201.313	2.881	0	1	BFAF	
CC1=C2C[C@@H]3O[C@]3(C)CC/C=C(/C)C[C@H]2OC1=O	210766778	REFDVDWXWAWAOK-UURRPXMASA-N	248.322	2.906	0	1	BFAF	
CCOC(=O)n1nc2cc1Oc1ccc(F)cc1-2	587874618	GIKBYJXNZNSGFT-UHFFFAOYSA-N	248.213	2.800	0	1	BFAF	
C[C@@]12CO[C@@H]3c4cocc4C[C@@](C)(O)[C@H](C1)[C@H]3C2	2356635622	DWFADEFKWQSANI-JSFFLRCESA-N	248.322	2.691	0	1	BFAF	
COC(=O)C/C=C1\c2ccccc2[C@@H](OC)[C@@H]1C	7992503	BAHWNFBCNAWEMW-JHNDZKRISA-N	246.306	2.970	0	1	BFAF	
C[C@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC[C@@H]2[C@]34C1	9214630	BCZFSDNVXODRAJ-SMSYFYOWSA-N	247.382	2.866	0	1	BFAF	
Nc1ccc2nc3c(c(N)c2c1)Cc1ccccc1-3	13808505	LQFCZURJKDQWHF-UHFFFAOYSA-N	247.301	2.970	0	1	BFAF	
C=C(C)[C@@H]1CC[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@@H]2C	14509700	XNIBIEVBMJDRPE-NEBZKDRISA-N	234.339	2.875	0	1	BFAF	biogenic
CCCOc1ccc(-n2cnnc2CC)cc1	28872088	LSFSKZXIQVGUIL-UHFFFAOYSA-N	231.299	2.619	0	1	BFAF	
CCOC(=N)CC(=O)Nc1cccc(Cl)c1	102934395	PWCOQOHCAJRFKV-UHFFFAOYSA-N	240.690	2.682	0	1	BFAF	
S=C1N=C2CCC[C@H]2[C@@H](c2ccccc2)N1	169726106	XCMOIYBNFINWKB-ZYHUDNBSSA-N	230.336	2.857	0	1	BFAF	
O=NCc1ccc(-c2nc3ccncc3[nH]2)cc1	587190728	PSXYUIAGLUTQCM-UHFFFAOYSA-N	238.250	2.891	0	1	BFAF	
O=C1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]2N1	618012020	PVIFDNDJKTUTKA-MJBXVCDLSA-N	229.323	2.849	0	1	BFAF	
C[C@]12CC[C@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@@H]21	16916959	UEPGLNMUFRMDAW-IGJVIKARSA-N	220.312	2.751	0	1	BFAF	
C[C@@]1(N2CCCCC2)C(=O)CCc2ccccc21	28769694	WOWPCXAIDIFCJS-INIZCTEOSA-N	243.350	2.903	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2C[C@H]1O	38675363	DGZPYTSARMEKSO-LXFSFDBISA-N	238.371	2.747	0	1	BFAF	
CC1=NN(C(=O)OCc2ccccc2)[C@@H](C)N=N1	40631583	YIKJGTGPACIPQW-JTQLQIEISA-N	246.270	2.770	0	1	BFAF	
CN(C)CCCC12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2O	64437071	JMTAZGPHOXWMLV-HKGGGCDWSA-N	237.387	2.515	0	1	BFAF	
COC12C[C@@H]3CC(N)(C[C@H](C1)c1ccccc13)C2	169337097	GRLDJRHCHZRKCQ-RJAIZQQDSA-N	243.350	2.928	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1	586917166	NBTZAVWCPYJHKT-CLTAVNFZSA-N	244.081	2.725	0	1	BFAF	
Cc1cnc2[nH]c(C(C)(C)Cl)nc2c1	587009060	UPZJFDSDOXDXGL-UHFFFAOYSA-N	209.680	2.740	0	1	BFAF	
COc1cc2c3c(c1)OC1(CCCC1)[C@@H](C2)C3=O	587446731	DYGJUJKYOQERGL-NSHDSACASA-N	244.290	2.755	0	1	BFAF	
C[C@@H]1Cc2cc(Br)c(F)cc2CN1	587817278	BERNCDGEUWIOFQ-ZCFIWIBFSA-N	244.107	2.622	0	1	BFAF	
CC(C)(C)c1ccc([C@H]2C=C(C(=O)O)NO2)cc1	958575039	QUBXMAVDNLWEJF-GFCCVEGCSA-N	247.294	2.529	0	1	BFAF	
c1cnc2c(c1)CCN2c1cc[nH]c2nccc1-2	1772610526	LUFQECLUGQMKCC-UHFFFAOYSA-N	236.278	2.604	0	1	BFAF	
CC(C)(O)[C@@H]1CC[C@]2(C)C=CC[C@](C)(O)[C@H]2C1	2356656674	XLMZJOLBMYRLCZ-DHMWGJHJSA-N	238.371	2.891	0	1	BFAF	
CCCC=CCCCC[C@H](O)[C@H](C)NC(C)=O	2356674915	YNBJXCBPPYCLMH-JSGCOSHPSA-N	241.375	2.789	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CC[C@@H]2N3)cc1	3812165	ONGUNCXEJINACZ-UTUOFQBUSA-N	207.704	2.948	0	1	BFAF	
C1CCN(C[C@H]2CCC[C@@H]3CCCN[C@@H]32)CC1	13433554	SVDDLFTVUZEYQM-KFWWJZLASA-N	236.403	2.641	0	1	BFAF	
CC[C@H](C)c1ccc([C@@H](O)[C@@H](C)O)cc1	14593148	KYAXSLCXEJFPBA-CWSCBRNRSA-N	208.301	2.614	0	1	BFAF	biogenic
CNc1ncc(/C=C/c2c(F)cccc2F)cn1	299834009	QMURVXSPGBDSBF-AATRIKPKSA-N	247.248	2.967	0	1	BFAF	
Cc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1F	587190315	HMOSFAIVEXTAPJ-VIFPVBQESA-N	235.306	2.503	0	1	BFAF	
O[C@@H]1CCCc2[nH]c(=Nc3ccccc3)sc21	1857773528	ZZRAXWMLZZDYDV-LLVKDONJSA-N	246.335	2.678	0	1	BFAF	
Nc1ccc2c(c1)[C@@H]1CN[C@H](C2)c2ccccc21	13831949	PKQWOQOLRMDAHZ-HZPDHXFCSA-N	236.318	2.601	0	1	BFAF	
CC1=C[C@@H]2CC3=CC(=O)O[C@]3(O)C(C)(C)[C@@H]2CC1	15222097	DKCBQKUYOUNXGH-HCKVZZMMSA-N	248.322	2.561	0	1	BFAF	biogenic
CCc1cc(OC)c(C[C@H](N)CC)cc1OC	29336581	XJSXHKNUJUKEOV-GFCCVEGCSA-N	237.343	2.546	0	1	BFAF	
N[C@H](N=O)c1c(Cl)cccc1Cl	957586839	PSSAXYCUTGAAOR-SSDOTTSWSA-N	205.044	2.717	0	1	BFAF	
CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@@H]21	13819977	FBOFPTJPVFSAHF-HIFRSBDPSA-N	245.366	2.981	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](CO)CC[C@@]13O	14409246	RTSORXBIZDRAMP-RKEKIRQTSA-N	238.371	2.582	0	1	BFAF	in-man
Cc1ccnc2cc3c(cc12)[C@@H]1CNC[C@H]3C1	28528541	UQXJKZHLOQRMTO-WDEREUQCSA-N	224.307	2.717	0	1	BFAF	
Cc1ccc2c(OC3CCNCC3)cccc2n1	84672046	GKUDXLOWQHYSNB-UHFFFAOYSA-N	242.322	2.674	0	1	BFAF	
CCCCCCOc1ccc(C2=NCCN2)cc1	225793501	KAEKVUDQYWRMFT-UHFFFAOYSA-N	246.354	2.996	0	1	BFAF	
CC(C)Oc1ccc2nc([C@@H]3CCOC3)[nH]c2c1	586912956	YKNQKYYKUPYBIA-SNVBAGLBSA-N	246.310	2.854	0	1	BFAF	
Nc1ncc(-c2ccccc2)c(-c2ccco2)n1	1772603415	SAWJQCBLHCBENI-UHFFFAOYSA-N	237.262	2.986	0	1	BFAF	
CC(CO)=C1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]13	2356456206	VCKNBYBUMOAFMV-YTFOTSKYSA-N	236.355	2.502	0	1	BFAF	
N[C@@H]1C[C@@H]2CCCC[C@H]2C[C@]1(O)c1ccccc1	104152085	QPSHWOZTWDCKIJ-UGQVUOCMSA-N	245.366	2.802	0	3	BFAF	
c1ccc(N2CCCC3(CCNCC3)C2)cc1	3955992	MKQNMIUBCUAQFL-UHFFFAOYSA-N	230.355	2.657	0	1	BFAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC(CO)=C[C@H]12	13381651	IOQSQJRNINOLDG-XGUBFFRZSA-N	238.371	2.748	0	1	BFAF	biogenic
Oc1cccc2c1C[C@H](Cc1ccncc1)C2	13736322	HMFZHKWCZQZHQP-GFCCVEGCSA-N	225.291	2.745	0	1	BFAF	
CNc1cncc(-c2cc(C)c(O)c(C)c2)n1	61905160	BLEHRURJOGEION-UHFFFAOYSA-N	229.283	2.508	0	1	BFAF	
Oc1coc2cc(Br)ccc12	101677150	JVZYWUQMXKTBQH-UHFFFAOYSA-N	213.030	2.901	0	1	BFAF	
Cc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Cl	586917239	OISOKUPZGUMOHN-QUBYGPBYSA-N	222.675	2.985	0	1	BFAF	
Cc1ccc2c(=O)cc(-c3cccs3)[nH]c2n1	6522908	LZTBFZWKSHKFNC-UHFFFAOYSA-N	242.303	2.960	0	1	BFAF	
CN1[C@H]2CC[C@@H]1[C@H](c1ccc(Cl)nc1)C2	6523801	HLNPMOXPJPCMLY-GARJFASQSA-N	222.719	2.685	0	1	BFAF	
C[C@@H]1Cc2cc(O)cc3cccc(c23)O1	13463032	JKWIEDBIIKNGTA-MRVPVSSYSA-N	200.237	2.869	0	1	BFAF	biogenic
CN(C)C[C@@H]1C[C@@H]1c1cnc2ccccc2c1	28960122	IRSPOVOLBHRLDQ-UONOGXRCSA-N	226.323	2.900	0	1	BFAF	
COc1cccc([C@@]23CCCN[C@@H](CC2)C3)c1	29246457	PRVRSSVEGMFFPB-ZFWWWQNUSA-N	231.339	2.869	0	1	BFAF	
C/C(CO)=C1/CC[C@]2(C)[C@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782059	VCKNBYBUMOAFMV-GFRVERRFSA-N	236.355	2.502	0	1	BFAF	endogenous,in-man
CC(C)N1O[C@@H]2C[C@@H]1c1nc3ccccc3n1C2	101643283	VVGIXYQMZGPIEN-ZWNOBZJWSA-N	243.310	2.505	0	1	BFAF	
CC1=C[C@@]2(O)C[C@@]3(C)CO[C@](C)([C@@H]2C3)C12CC2	238764053	IRAZMEBBMCFGMQ-RMRHIDDWSA-N	234.339	2.663	0	1	BFAF	
CC1=CC[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)C[C@H]1O	238778806	QUUDBBBXBWYUJP-KBXIAJHMSA-N	238.371	2.891	0	1	BFAF	
COC(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1	586884091	NVABFDMCJBXLPN-UHFFFAOYSA-N	242.278	2.917	0	1	BFAF	
CCCc1nc2nc(O)nc(O)c2cc1C(C)C	587560805	GWBBGIIMTBIDGK-UHFFFAOYSA-N	247.298	2.512	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CC[C@@]1(C)[C@@H](O)C2)CO	2356506550	FUCSWNUANQRDFQ-AJNGGQMLSA-N	238.371	2.892	0	1	BFAF	
CC1=CC[C@H]2CO[C@H](C3=CC=CN(C)C3)[C@H]1C2	2356836502	LBEBNBXRCVCPOC-VHDGCEQUSA-N	231.339	2.743	0	1	BFAF	
N#[N+]c1cccc2cccc(S(=O)(=O)O)c12	6094927	FBINSYHNLCGKLZ-UHFFFAOYSA-O	235.244	2.571	0	1	BFAF	in-vivo
CCN1CCN(c2cccc3ccoc23)CC1	13738321	GMAZTHDQOASNPY-UHFFFAOYSA-N	230.311	2.575	0	1	BFAF	
Oc1coc2c1c(O)cn2Cc1ccccc1	15222392	GGSHHBZFOCFAIS-UHFFFAOYSA-N	229.235	2.694	0	1	BFAF	biogenic
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccccc1)O2	36177595	VEWNLDNSIXATRX-MQYQWHSLSA-N	246.306	2.511	0	1	BFAF	
CN(C)[C@@H]1CCc2c(c3ccccc3n2C)C1	39111109	WQQXUUBWAWEKMM-LLVKDONJSA-N	228.339	2.597	0	1	BFAF	
O=C(NSC(=O)C1CCCC1)c1ccccc1	166622597	YWQLOUWWUAYRAU-UHFFFAOYSA-N	249.335	2.781	0	1	BFAF	
CCOCCCCc1cc(=O)c2ccccc2[nH]1	169308212	DXDHTDIJKRXWAD-UHFFFAOYSA-N	245.322	2.887	0	1	BFAF	
CC1=C[C@@H]2[C@@H](C(C)C)CC[C@](C)(O)[C@H]2[C@H](O)C1	238737392	NFSPTLKYFUJAOU-RYPNDVFKSA-N	238.371	2.747	0	1	BFAF	
FC[C@@H](F)COc1ccc2[nH]ccc2c1	1857610481	QBKROKDKZQBAJT-SECBINFHSA-N	211.211	2.854	0	1	BFAF	
CCCC[C@H]1CNC(=N)N1CCc1ccccc1	1857750809	OZTPTOLIDNIOFS-AWEZNQCLSA-N	245.370	2.628	0	1	BFAF	
O=c1oc2ccccc2c2cc3n(c12)CCC3	205358887	LBNOOTYCINPCNC-UHFFFAOYSA-N	225.247	2.694	0	3	BFAF	
Cc1cc2nn([C@@H]3CCCCO3)nc2cc1C	5822724	DRBPVLGXHIWXJV-ZDUSSCGKSA-N	231.299	2.747	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)(C)O)CC[C@@H](C)[C@@]2(O)CC1	13381563	VGRWYWYZXQMAGQ-BHPKHCPMSA-N	238.371	2.891	0	1	BFAF	biogenic
CCCN1CCC[C@@]12COc1ccccc1C2	13759909	KVWQUSCIHSGNTO-OAHLLOKOSA-N	231.339	2.866	0	1	BFAF	
C=C(C)[C@@H]1C(=O)C=C(C)[C@]2(O)CC[C@@H](C)C[C@@H]12	14444957	HOLIHXDZFDKQLT-UEEZHKSASA-N	234.339	2.875	0	1	BFAF	biogenic
O=C1c2c(O)cccc2-c2nccc3ccnc1c23	14690474	BOUAWUWPFFJWRQ-UHFFFAOYSA-N	248.241	2.547	0	1	BFAF	biogenic
O=C(O)CCCCCCc1cccc2cncn12	29414651	BFEMYUYLRMDTQI-UHFFFAOYSA-N	246.310	2.912	0	1	BFAF	
CCSc1nnc(-c2ccc3nc[nH]c3c2)o1	96283006	QFCSGTKJHJMJDR-UHFFFAOYSA-N	246.295	2.725	0	1	BFAF	
COc1ccccc1-c1nc2cc[nH]cc-2n1	100749905	QWFFXZIRRLYSQX-UHFFFAOYSA-N	225.251	2.585	0	1	BFAF	
CNC12C[C@H]3CC(C[C@H](C1)c1ccccc13)O2	101924120	WNODDIJNLNFNKE-GNSQRIDDSA-N	229.323	2.756	0	1	BFAF	
Clc1cc2c(cn1)[C@@H]1[C@H](CC2)[C@H]2CC[C@H]1N2	195264832	HYHQVGSPVWWXJX-VUXODMRMSA-N	234.730	2.515	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@@H]1C=CC[C@@H]12	253640312	KQEBFIGSBWGPFB-PETRGTFGSA-N	226.323	2.545	0	1	BFAF	
COc1cccc2nc(COC(F)(F)F)[nH]c12	587122150	AERZJBZRDFDKFN-UHFFFAOYSA-N	246.188	2.608	0	1	BFAF	
CCC[C@H](c1nc2cc(=N)[nH]cc2[nH]1)C(C)C	587956740	VPTKGSCLQNVICA-VIFPVBQESA-N	232.331	2.910	0	1	BFAF	
CN(C)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1c1cccnc1	1857582515	FCLDUUHIVVRBDA-UVLXDEKHSA-N	216.328	2.525	0	1	BFAF	
O=c1cc[nH]cc1C12CC3CC(CC(C3)C1)C2	1857774618	OCFDFNKWHQHRMM-UHFFFAOYSA-N	229.323	2.843	0	1	BFAF	
CC[C@H](C)OC(=O)C[C@@H](C)C(=O)O[C@H](C)CC	2356329222	YJJLDYAUGTVVPM-OUAUKWLOSA-N	244.331	2.696	0	1	BFAF	
CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@H](O)C2	2356474821	FBRINWQEZPARPI-SCRDCRAPSA-N	224.344	2.885	0	1	BFAF	
O=Cc1cc2c(cc1O)[nH]c1cc(O)ccc12	13482919	RTRVKTRUQDUIKV-UHFFFAOYSA-N	227.219	2.545	0	1	BFAF	biogenic
Oc1c2ccccc2nn1Cc1cccs1	13820710	WVDSHNKSANNXBR-UHFFFAOYSA-N	230.292	2.852	0	1	BFAF	in-vivo
Cc1cc[nH]c1/C=C1\C(=O)Nc2ccc(O)cc21	14962800	HKXFOQOUWIDTJP-XFFZJAGNSA-N	240.262	2.521	0	1	BFAF	
O=C(CC12CCCN1CCC2)Nc1ccccc1	27758676	OUSQHFMCQLHROP-UHFFFAOYSA-N	244.338	2.644	0	1	BFAF	
COc1cc2c(c3c1OCO3)OC(C)(C)C=C2	35822939	GCYOSVGQZCADOK-UHFFFAOYSA-N	234.251	2.608	0	1	BFAF	
C[C@]1(c2ccccc2)C[C@@H]1NC1CCC(N)CC1	149628108	YCAWTMXHBSTPQD-SSHXOBKSSA-N	244.382	2.576	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(OC)nc2[nH]1	586893337	XJBGEEZAPDLOFV-ISVAXAHUSA-N	231.299	2.870	0	1	BFAF	
C[C@@H]1CCCc2c(-c3ccccc3)nc(=N)[nH]c21	1857605723	KBWMQRHXUDLDNF-SNVBAGLBSA-N	239.322	2.996	0	1	BFAF	
CC1(C)[C@H]2CC[C@]3(C)O[C@@H](CC(=O)C2)C[C@@H]13	2356383620	SGUJEWUZYZMING-HVTMNAMFSA-N	222.328	2.949	0	1	BFAF	
c1cc(CCn2ccnc2)c2cccnc2c1	13808193	AVFNKJKCERQPJI-UHFFFAOYSA-N	223.279	2.674	0	1	BFAF	in-vivo
CC(=O)CC[C@@H]1[C@H]2CC3=C(C)C(=O)O[C@@H]3C[C@@]12C	14948322	LWEBVMKVDYHHRS-BHPKHCPMSA-N	248.322	2.644	0	1	BFAF	biogenic,in-vitro
CC(=O)N(C)/C=C/c1ccccc1Cl	28705438	FHUIEYDGNLDXIG-BQYQJAHWSA-N	209.676	2.789	0	1	BFAF	
COc1c(C)ccc2c1CC[C@@H]2c1ncc[nH]1	29046246	DHMOWBLMIPAURS-LBPRGKRZSA-N	228.295	2.805	0	1	BFAF	
CN1C(=O)CCC2=C1CCc1ccccc12	40503459	SFULLAHERMBECD-UHFFFAOYSA-N	213.280	2.596	0	1	BFAF	
Cc1nc(N(C)c2ccccn2)c(C)c(C)c1O	143734939	ZMSGOLZUPZQMRZ-UHFFFAOYSA-N	243.310	2.875	0	1	BFAF	
CCCCCN1CC(C)(C)CN=C1CN=O	169726197	OGODENPVOZKKLH-UHFFFAOYSA-N	225.336	2.683	0	1	BFAF	
c1cc2nc([C@H]3CCOC3)[nH]c2c2c1CCCC2	586910911	COXRJMNSHIXHHC-NSHDSACASA-N	242.322	2.946	0	1	BFAF	
CSCC(C)(C)c1nc2cncc(C)c2[nH]1	586969225	OUSIWNUCQVRSRN-UHFFFAOYSA-N	235.356	2.907	0	1	BFAF	
O=C1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]2N1	618012003	PVIFDNDJKTUTKA-BFHYXJOUSA-N	229.323	2.849	0	1	BFAF	
CC1(C)C=Cc2cc(C=CCO)ccc2O1	2356388778	RLSWRLLRQWYLRF-UHFFFAOYSA-N	216.280	2.876	0	1	BFAF	
CC=C[C@H]1CC(=O)c2cc(C)ccc2O1	2356404270	IVYSQWZFGQAYKB-JTQLQIEISA-N	202.253	2.905	0	1	BFAF	
C[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccncc1	61943137	QCXZIPDNFIDNHK-FZMZJTMJSA-N	238.290	2.806	0	3	BFAF	
CC1=Nc2sc3c(c2C2=NCCN12)CCCC3	73402767	XPWBHDPRISKPTP-UHFFFAOYSA-N	245.351	2.753	0	1	BFAF	
CC(C)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1	116194931	VRZCMTOZDIPXRX-GFCCVEGCSA-N	245.282	2.544	0	1	BFAF	
Cc1c(O)ccc2c1CC[C@]1(C)[C@H]2CC[C@H]1O	169369349	JCOCQDKHVDAJMG-NWANDNLSSA-N	232.323	2.891	0	1	BFAF	
C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@@H]1[C@H]1[C@@H](CC3)C1(C)C	197243773	KSULFOQPZXMUBZ-JEUROIALSA-N	232.323	2.930	0	1	BFAF	
C/C(=C/CC[C@]1(C)[C@@H](O)[C@@]2(C)CC[C@@H]1C2)CO	13301159	HXGLSGRFISFKKO-YHYSHLEESA-N	238.371	2.892	0	1	BFAF	
CCN(CC)[C@H]1CCc2ccccc2C1	27854593	HKKFAEDOOMPSFN-AWEZNQCLSA-N	203.329	2.886	0	1	BFAF	
CC(=O)c1ccc(SCCc2c[nH]cn2)cc1	28023005	XYVCGLQGZYIDTM-UHFFFAOYSA-N	246.335	2.947	0	1	BFAF	
Clc1c[nH]c(Nc2nc3ccccc3[nH]2)n1	73199314	GESHOIJTBDGSPE-UHFFFAOYSA-N	233.662	2.683	0	1	BFAF	
COc1ccc2c(c1)CC[C@@]1(CCCN1C)C2	169315959	XMHFWKAXFHSIQD-HNNXBMFYSA-N	231.339	2.648	0	1	BFAF	
COc1cccc2c3cnsc3n(C)c12	206066329	XCYFMTUCGMIUPQ-UHFFFAOYSA-N	218.281	2.797	0	1	BFAF	
COc1cccc(/C=C/c2ncccn2)c1	653769910	CIXQFBSKTUJMEZ-VOTSOKGWSA-N	212.252	2.656	0	1	BFAF	
C=C1CC[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CCC1=O	1566153	DINAUSDUEQEZGW-TZMCWYRMSA-N	246.306	2.730	0	1	BFAF	biogenic
CC(C)=C1CC2=C(O1)C(=O)c1occ(C)c1C2=O	2012713	RMJXXSFMQXHKAC-UHFFFAOYSA-N	244.246	2.935	0	1	BFAF	biogenic
CC1=C2[C@@H]3CC(C)(C)C[C@H]3C(=O)[C@@]2(C)CC1=O	14947804	MMEMHQYXRHYMDN-FCHSOHFDSA-N	232.323	2.917	0	1	BFAF	biogenic
CCCCN[C@@H]1CCc2cccc(OC)c2C1	28865159	ZJZXYYXRWZKMGX-CYBMUJFWSA-N	233.355	2.942	0	1	BFAF	
C[C@@H]1CCCC2=CC[C@@H]([C@@](C)(O)CO)C[C@@]21C	33830542	XJXXJYGANFEEDD-NGFQHRJXSA-N	238.371	2.892	0	1	BFAF	
O=c1nc(-c2cccnc2)sc2ccccc12	33975875	PKPRJBMZCMHZGS-UHFFFAOYSA-N	240.287	2.719	0	1	BFAF	in-vitro
CCN(CC)CCc1c[nH]c2cc(O)ccc12	238741857	BOLBZNHQIHKGON-UHFFFAOYSA-N	232.327	2.758	0	1	BFAF	
NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCCF	299853392	JTPWNGVIUSRWDW-WCBMZHEXSA-N	243.709	2.751	0	1	BFAF	
Fc1cc2nc(C3=COCC3)[nH]c2c(F)c1F	586911973	BFENAUAKTUDXTD-UHFFFAOYSA-N	240.184	2.741	0	1	BFAF	
Fc1ccc(OCc2nc3cnccc3[nH]2)cc1	587168753	LEZMKURFDUEUJY-UHFFFAOYSA-N	243.241	2.676	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H](O)[C@H](C)[C@]2(O)CC1	2356491712	OPICWDQWQDCFMW-SBJFKYEJSA-N	238.371	2.747	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@](C)(O2)[C@@H](O)[C@H]13	2356690788	KYCJKHVCYJLBJM-GXYBRJDSSA-N	238.371	2.987	0	1	BFAF	
CC[C@@H](CO)C[C@@H]1C=Nc2ccccc21	2356703077	KYMUBSJHMVUNMT-GHMZBOCLSA-N	203.285	2.895	0	1	BFAF	
Clc1ccc(CCn2cncn2)c(Cl)c1	1627670	SCZJKCNKEACEKR-UHFFFAOYSA-N	242.109	2.828	0	1	BFAF	
CCO[P@]1(=O)CC(C)=C(Cl)[C@H](OC)C1	1637786	WGVMXIBAKCESJT-XLKFXECMSA-N	238.651	2.842	0	1	BFAF	
COc1cc2ccccc2c(OC)c1OC	14612263	RANYXVFYAIGDFE-UHFFFAOYSA-N	218.252	2.866	0	1	BFAF	biogenic
CCOC(=O)/C=C/c1coc2ccc(O)cc12	40980711	UWFFCFJMHIAYLE-ZZXKWVIFSA-N	232.235	2.715	0	1	BFAF	
C[C@@H]1[C@H](O)CC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	85757323	XALRSJNOMCWQJW-KMCWBVRRSA-N	240.387	2.971	0	1	BFAF	in-man
C[C@@H]1C(=O)C[C@@H]2[C@H]3[C@H]1[C@]2(C)CCC(=O)C3(C)C	100775955	PZYLIQGFDJFRCZ-LSVRAFJHSA-N	234.339	2.853	0	1	BFAF	endogenous,in-man
COc1cccc(-c2nc3cc[nH]cc-3n2)c1	100968765	DOVHOZFDVKZBRZ-UHFFFAOYSA-N	225.251	2.585	0	1	BFAF	
Cc1ccccc1OCc1ccc2n[nH]nc2c1	220053896	KNEMKBINZZNQRK-UHFFFAOYSA-N	239.278	2.845	0	1	BFAF	
Cc1cccc2nc(C[S@@](=O)CC3CC3)[nH]c12	586960140	SSPPNWUFZISMTH-KRWDZBQOSA-N	248.351	2.530	0	1	BFAF	
O=C1C[C@H](c2ccsc2)n2cccc21	1650433	SSBCVAVDQFNSEM-SNVBAGLBSA-N	203.266	2.725	0	1	BFAF	
CNc1ccccc1C(=O)Oc1ccccc1	14590224	FZFKCHHMKXISHX-UHFFFAOYSA-N	227.263	2.948	0	1	BFAF	biogenic
COc1ccc2c(c1)CCC1=C2CC[C@@H](O)C1	29483255	ZHLMTPNGTSPWEF-GFCCVEGCSA-N	230.307	2.940	0	1	BFAF	
Cc1ccc(C(F)(F)F)c(C(N)=S)c1	84845401	AYGOCBKDGWEELI-UHFFFAOYSA-N	219.231	2.648	0	1	BFAF	
C[C@H](O)CCCCCCC/C=C/C=C\C(N)=O	214540468	HQHCQAKGZLESDF-UDQHIXNXSA-N	239.359	2.696	0	1	BFAF	
C[C@@H]1CCC(=O)[C@@H]2CC(=O)[C@@H]3[C@H](C3(C)C)[C@]12C	2356407046	OAZXHCVVSKAMMX-AOVDCTNGSA-N	234.339	2.853	0	1	BFAF	
CCC=Cc1cc2c(O)cccc2c(=O)o1	2356489950	QBZHMYUXUVZDQT-UHFFFAOYSA-N	216.236	2.922	0	1	BFAF	
C1=C2C3=[N+](CCCC3)C[C@@H]2Cc2ccsc21	6010132	TVUYQZUUHFSYPG-NSHDSACASA-N	230.356	2.955	0	1	BFAF	
CCc1nc(Cc2c[nH]cn2)sc1CC	13802766	CMONKOMEOMQVRF-UHFFFAOYSA-N	221.329	2.582	0	1	BFAF	
O=c1cc(/C=C/c2ccccc2)occ1O	38293462	MNHOQMDYICSUMJ-VOTSOKGWSA-N	214.220	2.516	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CO	136246921	SYSFCGLKPBVTDQ-PWNZVWSESA-N	238.371	2.748	0	1	BFAF	
O=C1C=CC[C@@H]2[C@H]3CCC[C@@H]4CCC[C@@H](CN12)[C@H]43	238775308	IGXQFUGORDJEST-JAAXMTQOSA-N	245.366	2.990	0	1	BFAF	
CCCC/C=C\c1nc2ccnc(O)c2[nH]1	587964617	ADLLVYDXAYGZBE-WAYWQWQTSA-N	217.272	2.867	0	1	BFAF	
CC(C)[C@@H]1C[C@@]2(C)C(=CC1=O)C=CC(=O)[C@@H]2C	15200520	FYXFSGBBRSADTL-ITDIGPHOSA-N	232.323	2.939	0	1	BFAF	biogenic
CCCCn1cnc2c(N)nc3ccccc3c21	28477531	MHEPKHNNKKQJHQ-UHFFFAOYSA-N	240.310	2.967	0	1	BFAF	
CCC/C=C\CCCC[C@H](O)[C@@H](C)NC(C)=O	49802332	YNBJXCBPPYCLMH-XBWLEZLWSA-N	241.375	2.789	0	1	BFAF	
C[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@H]1CC[C@@]2(C)OC1(C)C	256516071	ZADVMZUKWWMSLQ-CZYNCPRBSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
C=C(NC(C)=O)c1nc2cc(C)c(Cl)cc2[nH]1	587202258	CTGAVIHMILHNOL-UHFFFAOYSA-N	249.701	2.632	0	1	BFAF	
N[C@@H](N=O)c1c[nH]c2cccc(Cl)c12	957595118	OIVATQUWBYSOMU-VIFPVBQESA-N	209.636	2.545	0	1	BFAF	
CO[C@@H]1C=C[C@@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@]12O	2356616775	GPHREGVQROBXIU-DEBNCQAFSA-N	248.366	2.765	0	1	BFAF	
O[C@H]1c2c(F)cccc2N=C2CCCCCN21	61945381	URPMDGUMNNBGNG-ZDUSSCGKSA-N	234.274	2.736	0	3	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CCC1=O	5741649	IENXBWLABXSOLK-HKCMKHECSA-N	236.355	2.933	0	1	BFAF	biogenic
O=C1O[C@@H](Cc2ccccc2)c2cccc(O)c21	13376442	LQPPEGMDLNARAO-ZDUSSCGKSA-N	240.258	2.846	0	1	BFAF	biogenic,in-vitro
CC(=O)c1ccc(OCCCc2c[nH]cn2)cc1	13517752	FDJSGXRROVCWFT-UHFFFAOYSA-N	244.294	2.624	0	1	BFAF	
CC1(C)N[C@@H]1[C@H](O)c1ccc2ccccc2c1	169316472	CATNXLVQVNCSIK-ZIAGYGMSSA-N	227.307	2.624	0	1	BFAF	
CC[C@@H](C)c1nc2ccc(C(=O)OC)cc2[nH]1	587956748	VVTNIFAKNLUANI-MRVPVSSYSA-N	232.283	2.863	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2C[C@@H](CO)CC[C@H]21)CO	2356696241	PLPBWYNMFNFHJA-LJISPDSOSA-N	238.371	2.750	0	1	BFAF	
CC[C@H](CO)C[C@@H]1C=Nc2ccccc21	2356703079	KYMUBSJHMVUNMT-WDEREUQCSA-N	203.285	2.895	0	1	BFAF	
N[C]1C2=C(CCCC2)NC2=C1CCCC2	2356840130	LBJOVIDLJVRHPV-UHFFFAOYSA-N	203.309	2.736	0	1	BFAF	
N[C@@H]1C[C@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12	262156	PXBYQBLMVYZPGE-NGJCXOISSA-N	243.203	2.711	0	1	BFAF	
c1cc(OCC2CCN(CC3CC3)CC2)ccn1	13730186	LJNOPIFTNMRKTL-UHFFFAOYSA-N	246.354	2.582	0	1	BFAF	
CC1=C[C@@H]2[C@@H](C[C@@H]1O)[C@@](C)(O)CCCC2(C)C	14439374	DKDSGYSHJKYLBQ-CXTNEJHOSA-N	238.371	2.891	0	1	BFAF	
CCCCC[C@H]1CCC[C@@H]2CC(=O)OCCN12	14919313	RUEUOZBKUCFMFL-QWHCGFSZSA-N	239.359	2.737	0	1	BFAF	biogenic
CCC(=O)C(Cc1ccc(O)cc1)C(=O)CC	33494093	MFFJEDKYVVWWID-UHFFFAOYSA-N	234.295	2.509	0	1	BFAF	
c1ccc(CCCCNCC2CCNCC2)cc1	45495698	YPAWLEAPLLBQMC-UHFFFAOYSA-N	246.398	2.599	0	1	BFAF	
c1csc(-c2nc(CNc3cc[nH]n3)co2)c1	72184093	RORMUILMDMAKTD-UHFFFAOYSA-N	246.295	2.738	0	1	BFAF	
Cc1cscc1-c1cncc(CO)c1	146956310	DNKINAMFLKYGFV-UHFFFAOYSA-N	205.282	2.611	0	1	BFAF	
Cc1ccc2c(c1)[N+](=O)C1(CCCC1)N2O	377815864	DCXXGHFUXLVXTA-UHFFFAOYSA-N	219.264	2.885	0	1	BFAF	
Oc1nncc2nc(CC3CCCCCC3)[nH]c12	587959799	APFLHZKAOTXIHE-UHFFFAOYSA-N	246.314	2.571	0	1	BFAF	
CCN1C=CC(=C2C=CC(N(C)C)C=C2)C=C1	2356829671	JAYGBIXOJSFBFZ-UHFFFAOYSA-N	228.339	2.702	0	1	BFAF	
C[C@H]1CCC[C@@H](NC(=O)c2ccncc2)[C@@H]1C	4672453	SHKLDZKVVIWFGH-DMDPSCGWSA-N	232.327	2.636	0	1	BFAF	
CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC(=O)[C@@]2(C)CCC1	14452293	FQTNFDVQCCTDIM-HMYIPDOQSA-N	248.322	2.644	0	1	BFAF	biogenic
CC(C)[C@@H]1C=C2[C@](C)(O)CC[C@H](O)[C@]2(C)CC1	15208673	AXHPSQVHJYJJBZ-SPWCGHHHSA-N	238.371	2.891	0	1	BFAF	biogenic
Cc1ccc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1	28528893	ZESXLBONCPGUND-NEPJUHHUSA-N	224.307	2.717	0	1	BFAF	
Cc1cccc(NN2C(S)=N[C@@H](C)[C@@H]2C)c1	29327947	WKKUIGXNOHDZNU-UWVGGRQHSA-N	235.356	2.700	0	1	BFAF	
c1ccc2c(c1)N=C1NNc3cccc(c31)O2	1911579208	QYORKQNFMFIYFX-UHFFFAOYSA-N	223.235	2.801	0	1	BFAF	
NC1=CC=C[CH]N1Cc1cccc(Cl)c1	2356807285	XOURMLOYQXEEAD-UHFFFAOYSA-N	219.695	2.674	0	1	BFAF	
CC1=C[C](N)N(Cc2ccc(F)cc2)C=C1	2356830658	XGLXBLWJVQUBDN-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
S=C(CNCc1ccccc1)N1CCCCC1	13611640	BANGEQWRFVZWOD-UHFFFAOYSA-N	248.395	2.590	0	1	BFAF	
CCCC[C@H]1[C@H](O)CCC[C@@]12CCCCN2	28005292	YJEQGBHTTODACM-MJBXVCDLSA-N	225.376	2.850	0	1	BFAF	
CN[C@@]12CCCC[C@@H]1C[C@@H](O)c1ccccc12	29570922	JJMXINCNBCMRDO-DFBGVHRSSA-N	231.339	2.729	0	1	BFAF	
CCCC(=O)Nc1n[nH]c2c(F)c(F)ccc12	36427509	PEIFULAAYQSODW-UHFFFAOYSA-N	239.225	2.580	0	1	BFAF	
CCOc1ccc(C2=NCCN2)c2ccccc12	169322341	QYMPYXHGNIYFGI-UHFFFAOYSA-N	240.306	2.588	0	1	BFAF	
CC(=O)c1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1	586885872	DIUHIMLTVASTQZ-AWEZNQCLSA-N	246.310	2.629	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1	586886512	CHSCVGOESAYACP-KSBSHMNSSA-N	236.706	2.862	0	1	BFAF	
COC(=O)/C=C/[C@H]1c2ccccc2[C@H](OC)[C@H]1C	7992509	CMKYBWAWPBVWFW-XZTFPBDHSA-N	246.306	2.837	0	1	BFAF	
C[C@@H]1N[C@H]2c3cccc(N)c3[C@@H]1[C@@H]1CCC[C@H]21	58627602	FMBYQEIJDWNYNT-SNVNHWNNSA-N	228.339	2.815	0	1	BFAF	
CC1=CCC2=C(C)C[C@@H]3OC(=O)C=C3C[C@H]12	2356561576	AKXVCCDILASKIZ-OLZOCXBDSA-N	216.280	2.915	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C[C@@H]3OCC4=C3[C@H](OC4)[C@]12C	2356616879	JNYRITJWRVKNCG-HTZLXXLYSA-N	234.339	2.927	0	1	BFAF	
CC1(C)[C@H](O)CC[C@@]1(C)C1=CCC(CO)=CC1	2356806013	ZYWZWHQVYVGXQE-HIFRSBDPSA-N	236.355	2.813	0	1	BFAF	
O=C(OC[C@@H](O)c1ccccc1)c1ccccc1	14651593	PSWCFHRUHDIKNU-CQSZACIVSA-N	242.274	2.577	0	1	BFAF	biogenic
Cc1cc2c3c(c1)c1c(n3CCNC2)CCCC1	26578249	JOOZQMAAEHQNSP-UHFFFAOYSA-N	240.350	2.932	0	1	BFAF	
CCCN(CC)[C@@H]1CCc2cccc(O)c2C1	27561408	RXIVPHXKBOPSJF-CYBMUJFWSA-N	233.355	2.981	0	1	BFAF	
C[C@]12CCCC[C@@]1(O)C(=O)C[C@H]2c1ccco1	95588158	VTYIKWJOOOUCKZ-ZLKJLUDKSA-N	234.295	2.647	0	1	BFAF	
Cc1cc(C)n(-c2nc(C)c3ccccc3n2)n1	103197900	INABPRTYBURVHZ-UHFFFAOYSA-N	238.294	2.741	0	1	BFAF	
CC(=CCl)[C@@H]1CC(Cl)=C(C)C(=O)O1	2356313452	ZLVMQAYISVAUPD-QMMMGPOBSA-N	221.083	2.957	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CO[C@@]2(C)[C@@H](CO)[C@H]31	2356723347	FXZDQECHPKFMJT-GHRCFYLDSA-N	238.371	2.702	0	1	BFAF	
C[C@@]12CCC[C@@](C)(O1)c1ccc(C(=O)O)cc1O2	2356824202	GTKQSGJQKFIMAB-KGLIPLIRSA-N	248.278	2.909	0	1	BFAF	
Cc1cc2n(n1)c(C)cc(C)[n+]2-c1ccccc1	3135423	OLYVKEKFSGEUPL-UHFFFAOYSA-N	238.314	2.536	0	1	BFAF	
C[C@H]1CCC[C@@]2(CCN(CCCN(C)C)C2)C1	26741657	LHSNIQNSBQTYIU-LSDHHAIUSA-N	238.419	2.840	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@@H](O)CC[C@H]21	29481453	WIKOGZYEVQUKEV-RJHCMKNPSA-N	236.355	2.789	0	1	BFAF	
Cc1coc2nc3oc(=O)ccc3c(C)c12	49032928	YGGOPTCYJULKOF-UHFFFAOYSA-N	215.208	2.551	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1[C@@H](O)C[C@]2(C)OC1(C)C	238785205	SCYYILSHQOYTTA-CGNPOWQISA-N	238.371	2.987	0	1	BFAF	
COc1cccc([C@H]2CN3CCCC[C@H]3CO2)c1	299846626	IALDDQHJTXUTIC-DZGCQCFKSA-N	247.338	2.621	0	1	BFAF	
C[C@@H](F)[C@@H](N)c1nc2cccc(Cl)c2[nH]1	587126090	VSAGDBQXSOUWNW-SVGQVSJJSA-N	227.670	2.574	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@]3(C)CCC(C(=O)O)=C3[C@H]2C1	2356387613	APVSRGRSDSBWMN-AMJWSMQMSA-N	248.322	2.803	0	1	BFAF	
C[C@@H]1CC[C@H](CO)[C@](C)(O)C2=CC(C)(C)C[C@H]21	2356747642	KQDBJTFTSGZHJB-FJJYHAOUSA-N	238.371	2.748	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C=C[C@H]([C@](C)(O)CO)C[C@@]12C	2356774518	ZZHXTFNRDOZNKC-NIFZNCRKSA-N	238.371	2.748	0	1	BFAF	
COC(=O)c1cc2c(c(OC)c1)OC(C)(C)C=C2	14447809	MBPCJSPVINFSDT-UHFFFAOYSA-N	248.278	2.666	0	1	BFAF	biogenic
CC[C@@H](O)C(=O)OCCCC1CCCCC1	95578792	JGKAHLWNMQJXOB-GFCCVEGCSA-N	228.332	2.661	0	1	BFAF	
Cc1nc(Cl)ccc1[C@H]1C[C@H]2CC[C@H]1N2	146128512	CEIOZCMVGWULLM-FBIMIBRVSA-N	222.719	2.651	0	1	BFAF	in-vivo
CN(C)[C@H]1[C@H]2CC[C@@H](CC2=O)[C@@H]1c1ccccc1	169326469	ZZMFVOLMDOEQOA-SDADXPQNSA-N	243.350	2.699	0	1	BFAF	
Cc1cc(C)cc(Cc2cc(C)cc(=O)n2O)c1	299838235	TXHFOHUGSLMFCQ-UHFFFAOYSA-N	243.306	2.602	0	1	BFAF	
Cc1nccc2[nH]c([C@H]3CCCC(=O)CC3)nc12	586883753	DKONKOJGOINELH-JTQLQIEISA-N	243.310	2.883	0	1	BFAF	
Cc1ccc([C@H](O)CC=CC(C)(C)O)cc1	2356725237	ATTVREPYACEHQX-CYBMUJFWSA-N	220.312	2.746	0	1	BFAF	
C[C@H](O)CCCCCCC/C=C/C=C/C(N)=O	7992228	HQHCQAKGZLESDF-DRERGFJNSA-N	239.359	2.696	0	1	BFAF	
C[C@H]1CC[C@H](CO)C(CO)=C2CC(C)(C)C[C@H]21	14769097	DUUZWEOWPLXBAR-TUAOUCFPSA-N	238.371	2.750	0	1	BFAF	
c1ccc2c(c1)CC[C@]21NCc2ccccc21	27655880	KCZZAYUBMDIXCC-INIZCTEOSA-N	221.303	2.980	0	1	BFAF	
CCc1cc(O)c(Oc2ccc[nH]c2=O)cc1F	95573855	YILZDHBLJQLFBO-UHFFFAOYSA-N	249.241	2.574	0	1	BFAF	
O=C1c2ccccc2-c2nccc3cncc1c23	96934751	VUTXBHBUSMMCJM-UHFFFAOYSA-N	232.242	2.841	0	1	BFAF	
CC[C@H](C)C[C@]1(C)SC(=O)[C@H](C)C1=O	169719224	DGCWGCBTVBOIST-RNSXUZJQSA-N	214.330	2.660	0	1	BFAF	
CC1=C[C@@H](O)[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC1	238775359	DGARKVOVVYYTKH-TUVASFSCSA-N	238.371	2.891	0	1	BFAF	
C[C@@H](CC(=O)O)n1ncc2ccc(Cl)cc21	1772614277	PHJJNDVAXFAROR-ZETCQYMHSA-N	238.674	2.725	0	1	BFAF	
C1=CC(=Cc2ccc(-c3ccc[nH]3)[nH]2)N=C1	2356521264	PRPQBJVECMKSEO-UHFFFAOYSA-N	209.252	2.991	0	1	BFAF	
CC=CC=CC[C@@H](O)[C@@H](O)CCC=CC	2356728650	QNDZUEJNXSSXCA-QWHCGFSZSA-N	210.317	2.587	0	1	BFAF	
Cc1ccc(C)c([C@]2(O)C[C@@H](C)N(C)C[C@H]2C)c1	36383336	SPCLRIAZWZKWNU-FMKPAKJESA-N	247.382	2.851	0	3	BFAF	
CC1(C)CCc2cc3c(cc2O1)OCCC3=O	1618220	YHTXRJPPNNSHHS-UHFFFAOYSA-N	232.279	2.755	0	1	BFAF	
Cc1cccc2c1C=C(C[C@H]1CN=CN1)CC2	3975999	RCVCPNOVWAAUOC-AWEZNQCLSA-N	226.323	2.715	0	1	BFAF	
CN1CC[C@@]2(c3cccc(O)c3)CCC[C@@H]1C2	5966698	ZQJGRSYDDMBMPJ-HIFRSBDPSA-N	231.339	2.908	0	1	BFAF	
CSc1nc2sc(C)c(C)c2c(=O)o1	13779501	IUWYHADHVPRDPF-UHFFFAOYSA-N	227.310	2.588	0	1	BFAF	
Oc1c(Cc2cccnc2)ccc2cccnc12	44713017	DNRIDZXSDROVMC-UHFFFAOYSA-N	236.274	2.926	0	1	BFAF	in-vitro
CN(C)[C@H]1[C@@H]2CC[C@H](CC2=O)[C@@H]1c1ccccc1	100839600	ZZMFVOLMDOEQOA-VDERGJSUSA-N	243.350	2.699	0	1	BFAF	
CC1(C)C=Cc2cc(CCCO)ccc2O1	103172612	NZPYVTDTWPNLBM-UHFFFAOYSA-N	218.296	2.796	0	1	BFAF	
CC(C)C/C=C1/OC(=O)C2=CC=CC[C@H]21	142579825	XUAVGKDSFAWBLN-ZDIKFAODSA-N	204.269	2.976	0	1	BFAF	
COc1cc2c(cc1Cl)C[C@H]1CCCN[C@H]21	299830145	NEDNGBQPORHEBS-OQPBUACISA-N	237.730	2.945	0	1	BFAF	
CC(C)(C)c1ccc2nc([C@H]3CCOC3)[nH]c2n1	586911591	JCTLXNSDYWJRKG-VIFPVBQESA-N	245.326	2.759	0	1	BFAF	
Cc1cc(C)c2[nH]c(C[C@H](C)N(C)C)nc2c1	587190240	GQCHIDITRQTJDW-NSHDSACASA-N	231.343	2.672	0	1	BFAF	
CC(C)=CCn1cc(-c2ccccc2)nn1	1857770716	JMEFKFSVJXBVFL-UHFFFAOYSA-N	213.284	2.911	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H](O)[C@@H](C)[C@@]2(O)CC1	2356491713	OPICWDQWQDCFMW-SEBNEYGDSA-N	238.371	2.747	0	1	BFAF	
CC1=C[C@]2(O)CC[C@](C)(O)[C@@]23CC(C)(C)C[C@@H]13	2356721878	QVPJAJHBGVFNNK-MHEUCROKSA-N	236.355	2.645	0	1	BFAF	
COC(=O)C/C=C1\c2ccccc2[C@H](OC)[C@H]1C	7992504	BAHWNFBCNAWEMW-KGNMDHSFSA-N	246.306	2.970	0	1	BFAF	
CN(C)CS[C@@H]1Nc2ccccc2S1	45288089	WLWHTNTTYDRJIG-JTQLQIEISA-N	226.370	2.740	0	1	BFAF	
C[C@@H]1C=C(CO)C(CO)=C[C@@H]2CC(C)(C)C[C@H]12	85994870	YFVJPBYYCUEIKS-JTNHKYCSSA-N	236.355	2.526	0	1	BFAF	biogenic,in-vitro
OCc1ccc2oc(-c3ccc(O)cc3)nc2c1	473097025	CSCMODQTLPIEMH-UHFFFAOYSA-N	241.246	2.693	0	1	BFAF	
CC[C@@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1	587954976	DNXOXMPREDJKIQ-SECBINFHSA-N	245.326	2.778	0	1	BFAF	
CCC[C@@H](O)CC(=O)CCc1ccc(F)cc1	1911577828	CWPJNBUBFZMGFB-CYBMUJFWSA-N	238.302	2.879	0	1	BFAF	
Cc1cc2c3c(c1Cl)[C@@H](C)CN3CCNC2	1911582480	CEZWJUXXYRJAAD-VIFPVBQESA-N	236.746	2.675	0	1	BFAF	
CC(=O)N[C@]1(C)CC[C@H]2C[C@H]1C(C)=NC2(C)C	103135321	AKRBICRIVVVNDO-SGMGOOAPSA-N	236.359	2.551	0	3	BFAF	
Cc1ccc2[nH]c3c(c2c1)CCCC[C@H]3C(N)=O	5418036	BEGPLEUQYHEHLN-LLVKDONJSA-N	242.322	2.772	0	1	BFAF	
Cc1ccc2c(c1)O[C@]1(C)[C@@](C)(O)CC[C@@]21C	14854569	UUTNFVHOXZVUMX-KKUMJFAQSA-N	232.323	2.949	0	1	BFAF	biogenic
CC1=CO[C@H](c2ccccc2)[C@@H](C)[C@H]1O	27179550	ZCZKWXJIPYYHIU-DRZSPHRISA-N	204.269	2.659	0	1	BFAF	
CN1C=CN(CCC(C)(C)C)/C1=C\N=O	211624339	JHAWIDQFHGMGHH-KTKRTIGZSA-N	209.293	2.707	0	1	BFAF	
CN1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2	253691739	HLNPMOXPJPCMLY-AXFHLTTASA-N	222.719	2.685	0	1	BFAF	in-vivo
c1cc2c3c(cc(CCn4cccn4)nc3c1)CC2	587211766	WCWLODLDIANJAZ-UHFFFAOYSA-N	249.317	2.773	0	1	BFAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)C=C3C[C@@H]12	2356561577	AKXVCCDILASKIZ-QWHCGFSZSA-N	216.280	2.915	0	1	BFAF	
CC1=C(CC[C@@H](C)O)C(C)(C)C[C@@H](O)C1	14587812	HFQNROGZQRGTGP-MNOVXSKESA-N	212.333	2.645	0	1	BFAF	biogenic,in-vitro
CCCN1CCC[C@@H]2c3cccnc3CC[C@H]21	26005416	UEHJPVCNGHZHGZ-UKRRQHHQSA-N	230.355	2.986	0	1	BFAF	
COC(=O)C1=C(c2ccccc2)C[C@H]2CC[C@@H]1O2	28375793	WCWYQSBRFMSVQV-YPMHNXCESA-N	244.290	2.565	0	1	BFAF	
Nc1ccc2cccc(OCCC3CC3)c2n1	28390380	YLXQVSWEPLSGKN-UHFFFAOYSA-N	228.295	2.996	0	1	BFAF	in-vivo
Clc1ccc([C@H]2CC[C@H]3CC[C@@H]2N3)cn1	28395569	OPJHXZMPMOOVSN-AXFHLTTASA-N	222.719	2.733	0	1	BFAF	
COc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1C	586900191	AZYYLYHVLQDTBR-LBPRGKRZSA-N	248.326	2.959	0	1	BFAF	
C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[C@@H](C2)[N@]13	2356373355	YOMXBMKPPPTBGZ-QVJNKELMSA-N	239.318	2.614	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@@H](O)CCC(CO)=C[C@H]12	2356501682	KCFDRPUCBYFXQR-IPYPFGDCSA-N	238.371	2.892	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1O)CO	2356696094	HXGLSGRFISFKKO-AJNGGQMLSA-N	238.371	2.892	0	1	BFAF	
CCCCc1noc(C2=CC[C@H]3CC[C@@H]2N3C)n1	13820190	HIHAAFSTCBQDDZ-JQWIXIFHSA-N	247.342	2.662	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)C(=O)CCC(CO)=C[C@H]12	14455709	GOLVWBBRGXFBMA-GUTXKFCHSA-N	236.355	2.957	0	1	BFAF	biogenic
C[C@@H]1CC[C@H](CO)C(CO)=C2CC(C)(C)C[C@H]21	14769094	DUUZWEOWPLXBAR-UTUOFQBUSA-N	238.371	2.750	0	1	BFAF	biogenic
CC1=C2[C@@H](O)[C@H]3CC[C@@H](C)[C@]2(C[C@@H]1O)C3(C)C	59586072	JWRIVMKRTJGBEB-QVJQUZPHSA-N	236.355	2.501	0	1	BFAF	biogenic,in-vitro
C(=C/c1ccc2nccn2n1)\c1ccccc1	63539703	GIMMCSLNUXYLSO-VOTSOKGWSA-N	221.263	2.900	0	1	BFAF	
Cc1cccc(-n2cc(Cl)ccc2=O)c1	73310944	XALDRXXQALJDRD-UHFFFAOYSA-N	219.671	2.799	0	1	BFAF	
CN(Cc1cnc[nH]1)c1cccc(Cl)c1	95558921	IIUBDHLOHUCRSC-UHFFFAOYSA-N	221.691	2.700	0	1	BFAF	
COc1ccc2cc(NC(=O)C3CC3)ncc2c1	144374381	MYLORPHKQFZJID-UHFFFAOYSA-N	242.278	2.592	0	1	BFAF	
Cc1ccc(-c2cc3ncccc3c(=O)[nH]2)cc1	146129864	ODQGPEOPTADSGY-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
CC(C)Cc1cc(O)c(-c2cccnc2)c(O)n1	653790524	YZICRCKGQIDFPF-UHFFFAOYSA-N	244.294	2.753	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC(=O)[C@]2(C)O)C1(C)C	2356738339	KHKPHGFRCLTIRU-BOUUMUHPSA-N	236.355	2.645	0	1	BFAF	
CCOc1ccc(-c2cncc3nccn23)cc1	61898539	SNNPHTKZEPCIBJ-UHFFFAOYSA-N	239.278	2.795	0	3	BFAF	
CCC1=Nc2ncnn2[C@H](c2ccccc2)C1	13122486	VBDBDELCVKIDBN-LBPRGKRZSA-N	226.283	2.754	0	1	BFAF	
Cc1c(C)c2cc3c(C)coc3nc2oc1=O	49032924	FEWPPYWOPZSLKX-UHFFFAOYSA-N	229.235	2.859	0	1	BFAF	
CC/C=C/C[C@@](C)(O)c1ccc(O)cc1O	72170714	VOSNHFLKQCEUBW-MUBLQREKSA-N	222.284	2.662	0	1	BFAF	
COC(=O)Cn1nc(C(C)(C)C)c2ccccc21	95771521	OJWNSMOROXJTPN-UHFFFAOYSA-N	246.310	2.507	0	1	BFAF	
CCN1c2ccccc2C(=O)N2CCCCC[C@@H]21	103201995	UGIDQSDOFATFQO-CQSZACIVSA-N	244.338	2.869	0	1	BFAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1[C@H](O)C[C@@H](C)[C@H]1C2	104355702	VWQSEENZNJRXDR-JNWWKETESA-N	238.371	2.987	0	1	BFAF	in-man
Cn1nccc1-c1cc2c3c(cccc3n1)CC2	587211591	UOKVLWWBYARHOF-UHFFFAOYSA-N	235.290	2.734	0	1	BFAF	
CC1=C(c2ccncc2)C(=O)O/C1=C\C(C)C	1911579673	VCLCXNCSOAGZBP-WQLSENKSSA-N	229.279	2.952	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@H](C)[C@@]2(O)CC1	2356326151	URSADROJPOUESD-QRTUWBSPSA-N	238.371	2.747	0	1	BFAF	
CCC(=O)CCC1CCC(C(=O)OC)CC1	2356441128	GHZNRTXUTGFTAC-UHFFFAOYSA-N	226.316	2.725	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2[C@H]1O	2356553265	SUNRMOIMPOGBOY-HYFYGGESSA-N	240.387	2.971	0	1	BFAF	
CN1CCCC12C1CC3CC(C1)CC2C3	3639976	NEVKUUKTVIGMHH-UHFFFAOYSA-N	205.345	2.907	0	1	BFAF	in-vivo
CCc1ccc(N2Cc3ccncc3C2=O)cc1	6737260	UOZQRYUIZGTDAB-UHFFFAOYSA-N	238.290	2.804	0	1	BFAF	
Cc1c(O)cc(CCc2ccccc2O)cc1O	13335238	CDXBTBHBQAGTSP-UHFFFAOYSA-N	244.290	2.897	0	1	BFAF	biogenic,in-vitro
CCC(=O)[C@H](C)C[C@@H](C)[C@H](CC)OC(C)=O	14448074	AUERNSKMEZMHFW-BREBYQMCSA-N	228.332	2.970	0	1	BFAF	biogenic
Clc1ccc([C@H]2C[C@@H]3CC[C@@H]2CN3)cn1	100057745	VFQOGPACCHRZIN-MIMYLULJSA-N	222.719	2.591	0	1	BFAF	
Cc1ccc(C)c2c1c(C)cc(C)[n+]2C	1772581987	HDLPTVYJJPKQFF-UHFFFAOYSA-N	200.305	2.898	0	1	BFAF	
CC(CO)=C1CC(C)(C)C[C@@H]2[C@H](CO)CC[C@@H]12	2356720312	WPLVJXWIOYJHTM-SGMGOOAPSA-N	238.371	2.750	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CO[C@@]2(C)[C@H](CO)[C@H]31	2356723348	FXZDQECHPKFMJT-JEWKUQAESA-N	238.371	2.702	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1C[C@@H](O)CC[C@H]21	29477935	QQFIENYLNLQMEZ-OSMZGAPFSA-N	232.323	2.886	0	1	BFAF	
c1cn2ccc3cc4c(nc3c2n1)CCCC4	40380371	MKURSKIMWOIESG-UHFFFAOYSA-N	223.279	2.761	0	1	BFAF	
Cc1c(CO)cccc1-c1cccc(C=O)c1	857753703	MGXCUMDXFMFMRB-UHFFFAOYSA-N	226.275	2.967	0	1	BFAF	
CC(=CCl)[C@H]1CC(Cl)=C(C)C(=O)O1	2356313451	ZLVMQAYISVAUPD-MRVPVSSYSA-N	221.083	2.957	0	1	BFAF	
O=c1cccc(C=Cc2ccc(O)cc2)o1	2356428647	SUVYKTXPVLVTOM-UHFFFAOYSA-N	214.220	2.516	0	1	BFAF	
CN1CCC[C@@]2(C)C[C@H]1Cc1ccc(O)cc12	3628683	FJHVRKJLMORHOW-DOMZBBRYSA-N	231.339	2.690	0	1	BFAF	
CC(C)[C@H]1CC=NN1C(=O)OC(C)(C)C	5963275	CEHOEXVMELJLMW-SECBINFHSA-N	212.293	2.638	0	1	BFAF	
Nc1c(CC(=O)O)cccc1Oc1ccccc1	27522007	DPJZYEFLXVPCSU-UHFFFAOYSA-N	243.262	2.688	0	1	BFAF	
CCCN(CCC)[C@@H]1CCc2c[nH]cc2C1	27551677	WYGARRMLDGJGNL-CQSZACIVSA-N	220.360	2.994	0	1	BFAF	
Clc1cc2c(cn1)[C@H]1[C@H]3CC[C@H](N3)[C@@H]1CC2	28007359	HYHQVGSPVWWXJX-MGAJZRQESA-N	234.730	2.515	0	1	BFAF	
CC1=CC[C@@]2(O)[C@H](C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1O	38327738	DICWRYPRNPIQED-XLWJZTARSA-N	238.371	2.747	0	1	BFAF	
CC[C@@H](Cc1cccs1)NC1=NCCC1	39200588	ORKMFTBOFXWRIL-JTQLQIEISA-N	222.357	2.851	0	1	BFAF	
CCOC(=O)c1cc(/C=C/c2ccco2)on1	45244958	QTLUVABUCFDDND-AATRIKPKSA-N	233.223	2.615	0	1	BFAF	
C[C@@H](OC1=NCCN1)c1ccccc1C1CC1	45290491	BGPHEWUAKSHOBD-SNVBAGLBSA-N	230.311	2.601	0	1	BFAF	
Cc1nc([C@@H]2CCCN(c3ccccc3)C2)no1	72187575	ZHDHOUNCLQBOKS-GFCCVEGCSA-N	243.310	2.762	0	1	BFAF	
CCNC(=O)CCCc1c[nH]c2ccc(F)cc12	95604744	RRYDUVXVHIXPLS-UHFFFAOYSA-N	248.301	2.766	0	1	BFAF	
NC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)O2	101675804	HNOUEKMTZJFLFM-HGWMRPEMSA-N	229.323	2.777	0	1	BFAF	
COC(=O)CC[C@]12CC[C@@H](O1)c1ccccc12	102952685	RAEYJAPMCKFCSM-OCCSQVGLSA-N	232.279	2.700	0	1	BFAF	
COc1ccc(-c2cnc(N)nc2C2CC2)cc1	299835550	XGILCENQRLMGMX-UHFFFAOYSA-N	241.294	2.612	0	1	BFAF	
COC(=O)c1cccc2nc(C=C3CCC3)[nH]c12	587965366	RQELCZDPTJHANJ-UHFFFAOYSA-N	242.278	2.917	0	1	BFAF	
C[C@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@@](C)(O)O2	2356592803	KWEHQSJHTLFZSW-WZBKEBKWSA-N	224.344	2.946	0	1	BFAF	
FC(F)Oc1ccc2c(c1)C[C@@H]1CNC[C@@H]2C1	101022482	NUQOQQYEHCYTBU-WPRPVWTQSA-N	239.265	2.537	0	1	BFAF	
COC(/C=C\C=C/c1ccccc1)=C\C(=O)O	169454017	UEXUYEGMVWZTNW-PGIJGBQBSA-N	230.263	2.871	0	1	BFAF	
Oc1nc(O)c2ccc(-c3ccccc3)cc2n1	653723594	HAOJWCGUAIHQLD-UHFFFAOYSA-N	238.246	2.708	0	1	BFAF	
CC(C)C[C@@H]1Cc2[nH]nc(O)c2[C@H](C(C)C)O1	95568218	CJJRVFZEAWMMTI-SKDRFNHKSA-N	238.331	2.800	0	3	BFAF	
CN1CCC2(CCc3ccccc3C2=O)CC1	13734368	VZOGQOMJBKUSDY-UHFFFAOYSA-N	229.323	2.528	0	1	BFAF	
O[C@@H]1Cc2ccccc2N[C@H](c2ccco2)C1	299829334	JHQNWCDXPYPILJ-YPMHNXCESA-N	229.279	2.740	0	1	BFAF	
CC1(C)CC(=O)c2cc(/C=C/C(=O)O)ccc2O1	473096867	AYTRFVUVSOOQBN-GQCTYLIASA-N	246.262	2.528	0	1	BFAF	
CCCC[C@@]1(C(C)=O)NCCc2c(C)ccnc21	963073434	QCBQNBITSSUWBM-HNNXBMFYSA-N	246.354	2.510	0	1	BFAF	
CCCCC[C@@H]1O[C@H](CC(=O)CC)CC[C@@H]1O	2356742088	QHNVOXATDFDTNG-IHRRRGAJSA-N	242.359	2.844	0	1	BFAF	
O=c1ccc2ncn(C3CCCCCC3)c2[nH]1	68198026	INMVHVYKXDJOQH-UHFFFAOYSA-N	231.299	2.620	0	1	BFAF	
CCc1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1	72179098	SGKHYTHELMNODZ-ZYHUDNBSSA-N	218.300	2.535	0	1	BFAF	
CCCCc1c(O)nn(-c2ccccc2)c1O	102474172	WAHZTCMIILIOTL-UHFFFAOYSA-N	232.283	2.626	0	1	BFAF	
COc1ccc(/C(C)=C(\C)C(=O)NC2CC2)cc1	111367291	NJCVMQUEWFSPQQ-ZHACJKMWSA-N	245.322	2.767	0	1	BFAF	
C[C@@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@H]21	169372546	FMBYQEIJDWNYNT-COJLNKHHSA-N	228.339	2.815	0	1	BFAF	
Nc1ccc2c(c1)/C(=C/c1ccsc1)C(=O)N2	1772625191	BBZKAPCLEPFNBJ-WZUFQYTHSA-N	242.303	2.823	0	1	BFAF	
CC=C[C@@H]1CC(=O)c2cc(C)c(O)cc2O1	2356795065	IGGXNHPZFBZIBM-SECBINFHSA-N	218.252	2.611	0	1	BFAF	
c1ccc(-c2ccc3[n+](c2)CCCC3)cc1	13398890	VZOLRKQDPCLINT-UHFFFAOYSA-N	210.300	2.977	0	1	BFAF	
CCN1CCCC[C@@H]1[C@H](CO)c1ccccc1	28645416	BHAGCFGXKSMVPG-HUUCEWRRSA-N	233.355	2.637	0	1	BFAF	in-vivo
Cc1cc2onc(-c3ccccc3)c2c(=O)n1C	28879300	BTYZVJMWTDCGTR-UHFFFAOYSA-N	240.262	2.502	0	1	BFAF	
O=C1CCCC[C@@H]1n1cc(-c2ccccc2)nn1	66259226	BIEORMAAOATLNM-ZDUSSCGKSA-N	241.294	2.629	0	1	BFAF	
CC(C)(O)c1cc2c(o1)c(N)nc1ccccc12	96914098	BKDDSKAFKOWHKH-UHFFFAOYSA-N	242.278	2.791	0	1	BFAF	
COc1ccc2nc3cn(C)ccc-3c2c1	137131554	UXIBWQLCPYHBSH-UHFFFAOYSA-N	212.252	2.687	0	1	BFAF	
Cc1cc(/C=C/c2ccc(O)cc2)[nH]n1	144957357	TXQITXMITVHZNW-GORDUTHDSA-N	200.241	2.594	0	1	BFAF	
O[C@]1(C(F)(F)F)C[C@H](c2ccccc2)N=N1	169697570	PBVXMRBQTWJHIB-BDAKNGLRSA-N	230.189	2.835	0	1	BFAF	
Cc1ccc(COC(=O)n2cc(C)cn2)cc1	299829014	PATMZWDGKLYXPO-UHFFFAOYSA-N	230.267	2.685	0	1	BFAF	
O=C1CCC[C@@H](c2nc3cnccc3[nH]2)CC1	586887477	UKHRPQKCTRJZCY-SECBINFHSA-N	229.283	2.575	0	1	BFAF	
N[C@@H](c1nc2ccc3ncccc3c2[nH]1)C1CC1	587255871	RMOJFEITIPJWCN-GFCCVEGCSA-N	238.294	2.521	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC(C)C)O2	587406793	VHFJDRYELQSSCJ-SNVBAGLBSA-N	233.311	2.957	0	1	BFAF	
Fc1ccc2nc(CCOCC3CC3)[nH]c2c1	587783055	FFGIGELYCVQUKZ-UHFFFAOYSA-N	234.274	2.671	0	1	BFAF	
CCCCCC=CC=C[C@@H](O)[C@H]1CCC(=O)O1	2356387131	JAXIPKBMDKIIGO-CHWSQXEVSA-N	238.327	2.746	0	1	BFAF	
C[C@@H]1CO[C@@H]2[C@@H]1CC[C@@H](C)[C@]21C=C(CO)CC1	2356635477	ZJJLCEATKJINRL-BBIZWXPBSA-N	236.355	2.766	0	1	BFAF	
C[C@@H]1CCC[C@]2(CO)CC[C@H](C(C)(C)O)C[C@H]12	2356753605	MEFMJWLQDLMIAS-QVHKTLOISA-N	240.387	2.972	0	1	BFAF	
CCC(=O)c1cn2c(c1CC)CCC[C@H]2CCO	15973910	OHSLWJBSNVIYEW-NSHDSACASA-N	249.354	2.903	0	3	BFAF	
N[C@@H]1C[C@@H]2CCCC[C@H]2C[C@@]1(O)c1ccccc1	104152091	QPSHWOZTWDCKIJ-WMHQRMGPSA-N	245.366	2.802	0	3	BFAF	
COC1(c2ccccc2)[C@H]2CCC[C@@H]1CN(C)C2	942	YFFNPIAPUDUYAU-XYPWUTKMSA-N	245.366	2.890	0	1	BFAF	in-man
Oc1cc2c(cc1Sc1ccccn1)OCC2	25971508	NDGCCKZNFFKOCM-UHFFFAOYSA-N	245.303	2.873	0	1	BFAF	
CC1(C)N=C(c2ccccc2F)N(O)C1(C)C	40407906	VUOSBRYYKJHFCM-UHFFFAOYSA-N	236.290	2.834	0	1	BFAF	
CC1=CC[C@H]([C@H](C)CCN2CCNCC2)CC1	49068754	DUWYIKDUIZWFBL-CABCVRRESA-N	236.403	2.664	0	1	BFAF	
C[C@@H](C(=O)c1ccccc1)C(=O)c1ccc[nH]1	103293338	LJKHVEQOFMKYQU-JTQLQIEISA-N	227.263	2.716	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)C1	149617783	UGAQCJNDORUURF-WFASDCNBSA-N	231.339	2.603	0	1	BFAF	
O=C(O)/C(S)=C/c1c[nH]c2cccc(F)c12	169325396	WXAVHVXEHUMWTD-WTKPLQERSA-N	237.255	2.662	0	1	BFAF	
CN(C)[C@@H]1[C@H]2CC[C@@H](CC2=O)[C@@H]1c1ccccc1	169326467	ZZMFVOLMDOEQOA-DARAHFNDSA-N	243.350	2.699	0	1	BFAF	
CC(=O)N[C@@H](C)c1cc2c3c(cccc3n1)CC2	587214363	YLTBZWILMIZKKI-VIFPVBQESA-N	240.306	2.531	0	1	BFAF	
NO[C@H](c1ccccc1)c1ccc(F)cc1F	1857617286	RQLRNXWMLXDXIS-CYBMUJFWSA-N	235.233	2.945	0	1	BFAF	
Nc1ccc2c(c1)C(=Cc1ccsc1)C(=O)N2	1857628375	BBZKAPCLEPFNBJ-UHFFFAOYSA-N	242.303	2.823	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](CCO)[C@@H](O)CC[C@@H]12	2356395559	RQNYHDXQABTVAQ-UKTARXLSSA-N	240.387	2.972	0	1	BFAF	
CSC=CC(=O)NC=Cc1ccccc1	2356693633	LZMMZJDHPWXKBB-UHFFFAOYSA-N	219.309	2.650	0	1	BFAF	
CCCN1CC[C@H]2Cc3c(cccc3OC)C[C@H]21	13826912	HDCVYYTWHHFQGS-DZGCQCFKSA-N	245.366	2.894	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H](C)C[C@@H](O)CC1(C)C	14587731	GZFXCGAUFAQBLT-MVWJERBFSA-N	212.333	2.789	0	1	BFAF	biogenic
COc1cc2c(CCN(C)C)c[nH]c2cc1C	28233252	YPJSURIHBSXXMR-UHFFFAOYSA-N	232.327	2.589	0	1	BFAF	
C[C@]12CCCC[C@@]1(O)C(=O)C[C@H]2c1ccoc1	95587997	CGTAMSOWOOLGDS-IACUBPJLSA-N	234.295	2.647	0	1	BFAF	
c1ccc(CNc2[nH]ccc3ncnc2-3)cc1	101195208	VSHCTAHVAYOZGP-UHFFFAOYSA-N	224.267	2.522	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cncc(OC)c2[nH]1	586887721	HMXADUSVOGETBW-ISVAXAHUSA-N	231.299	2.870	0	1	BFAF	
Oc1ccc(-c2nc3cnccc3[nH]2)c(Cl)c1	587056119	YYGYFDFYAUARCS-UHFFFAOYSA-N	245.669	2.984	0	1	BFAF	
CC1=CCCC(CO)=C[C@@H]2[C@H](CC1)[C@@]2(C)CO	2356433257	DCQFUTANYUEHLR-RRFJBIMHSA-N	236.355	2.670	0	1	BFAF	
CC=Cc1cc(OC)c(OC)c(OC)c1OC	2356582042	UZGCZTNAMZBYID-UHFFFAOYSA-N	238.283	2.754	0	1	BFAF	
Cc1cc2c([nH]c3ccccc32)c(CCN)n1	43022892	XQZALXCDRFCRTM-UHFFFAOYSA-N	225.295	2.526	0	1	BFAF	
Nc1ccc(/C=C/c2cc(N)cc(N)c2)cc1	53293456	QRFAISVLMWANDO-OWOJBTEDSA-N	225.295	2.604	0	1	BFAF	in-vivo
O=C1C=CC[C@H](c2cc3ccccc3o2)O1	72123267	NFMWBNSSBOVBJL-LLVKDONJSA-N	214.220	2.977	0	1	BFAF	
C[C@@H](O)CC[C@H]1[C@H](C)CC(=O)CC1(C)C	85878548	QIHMBTNCJUFMCE-FOGDFJRCSA-N	212.333	2.789	0	1	BFAF	in-man
CC1(C)C[C@@H]2[C@H]1[C@H]1C[C@]1(C)[C@@H](O)CC[C@]2(C)O	100780700	USFOCJBPTUMHRF-FYPHCDFOSA-N	238.371	2.581	0	1	BFAF	endogenous,in-man
COc1ccc2cc(-c3ccncc3)[nH]c2n1	217062974	IULZFQDVDXUMFO-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
Cc1cc(Cl)ncc1[C@H]1C[C@H]2CC[C@H]1N2	253655987	OGHPAVPNKPGGDV-FXPVBKGRSA-N	222.719	2.651	0	1	BFAF	in-vitro
Nc1ccnc2[nH]c(/C=C/c3ccsc3)nc12	587026873	ZWOLVSLQRAVWEE-OWOJBTEDSA-N	242.307	2.772	0	1	BFAF	
COc1cc2c3c(c1)O[C@@H](CC(C)C)[C@@H](C2)C3=O	587445762	OGUBPZYHTFMSAO-NEPJUHHUSA-N	246.306	2.857	0	1	BFAF	
C[C@@H]1CC[C@H]2[C@@H]3C(=O)CCO[C@]3(C)C=C[C@@H]2C1	2356324561	RMXWBAZVHFTPRY-URFZWBKFSA-N	234.339	2.973	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@@](O)(CO)[C@H]1C2	2356579258	WEZSMISXBFOGRL-BYNSBNAKSA-N	238.371	2.892	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@](C)(CO)C[C@]3(C)CC[C@@H]1[C@@]23O	2356684052	IXPRLIUGGYJMBP-BYGOPZEFSA-N	238.371	2.582	0	1	BFAF	
CN1CCC[C@H]1C[C@@H](O)C=Cc1ccccc1	2356748781	RIYVUZHFPDAAIC-GJZGRUSLSA-N	231.339	2.545	0	1	BFAF	
Cc1ccc2c(c1)CCC(C[C@@H]1CN=CN1)=C2	13862069	XDZBVZMDNGYWTG-OAHLLOKOSA-N	226.323	2.715	0	1	BFAF	
CC1=Nc2nonc2NC(c2ccccc2)=C1	82230751	HLXJEKBPMBEEGK-UHFFFAOYSA-N	226.239	2.629	0	1	BFAF	
CC[C@@H](CCn1cncn1)c1ccccc1	103212797	YRAYCMUIHGZPKZ-LBPRGKRZSA-N	215.300	2.862	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1C[C@H](O)CC[C@H]21	253700166	JBJOLGADJZFNKD-MCIONIFRSA-N	246.374	2.575	0	1	BFAF	
COCCOc1c2ccccc2nn1C(C)C	299836926	OTFUMXVUKLTEPZ-UHFFFAOYSA-N	234.299	2.642	0	1	BFAF	
COc1ccc(N=S2(=O)CCCCC2)cc1	1772634672	QFJDWAWVUWTKFX-UHFFFAOYSA-N	239.340	2.979	0	1	BFAF	
O=C1C[C@H](c2ccc(O)cc2)c2ccccc2N1	1857596449	FVWJSYRPJKYZSR-CYBMUJFWSA-N	239.274	2.866	0	1	BFAF	
CC=C[C@H]1CC(=O)c2cc(C)c(O)c(C)c2O1	2356612210	XSNOKHWTJXMFKL-JTQLQIEISA-N	232.279	2.919	0	1	BFAF	
CC1(C)CC2=C([C@@H]1O)[C@]1(C)CCC[C@@]1(C)C2=O	14445726	VPYSTMZLNKAVRU-QEJZJMRPSA-N	234.339	2.853	0	1	BFAF	biogenic
COCc1coc2ccc3c(C)cc(=O)oc3c12	49047736	IQPPTXNJBSGBED-UHFFFAOYSA-N	244.246	2.994	0	1	BFAF	
N=C1NCc2ccccc2N1c1ccccc1	1772582788	DSYPISIKZBIOCJ-UHFFFAOYSA-N	223.279	2.863	0	1	BFAF	
N[C@@H]1CCCc2c1[nH]c1cccc(F)c21	1857573968	ZTESZQGKDXQEGW-SECBINFHSA-N	204.248	2.643	0	1	BFAF	
Oc1ccc([C@H]2CCC[C@H](O)CC2)cc1	1857764693	WESQYXJYCPRDGX-JQWIXIFHSA-N	206.285	2.801	0	1	BFAF	
COC(=O)/C=C/[C@@H]1c2ccccc2[C@H](OC)[C@@H]1C	7992506	CMKYBWAWPBVWFW-QOSDLECYSA-N	246.306	2.837	0	1	BFAF	
CC(=O)Oc1c(C)c(C)nc2ccc(F)cc12	103290316	ZVCKYZIIFBISQL-UHFFFAOYSA-N	233.242	2.916	0	1	BFAF	
Fc1ccc([C@H]2CN3CCCC[C@@H]3CO2)cc1	169315878	XZQRNKQLLRVHGP-ZIAGYGMSSA-N	235.302	2.752	0	1	BFAF	
C[C@H]1Oc2c(Cl)cc(CC(=O)O)cc2[C@H]1C	169345389	SCZDGNHGDDSKQC-NKWVEPMBSA-N	240.686	2.852	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1C[C@H](O)[C@]1(C)CCC[C@@]2(O)C1	198897239	DLQCYNDJQGMHRX-CYHVGBIXSA-N	238.371	2.725	0	1	BFAF	
COc1cccc(CCc2cc(O)cc(O)c2)c1	238733555	JNOLLWPLUCJHQT-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	
Cc1ccnc2[nH]c([C@@H]3C[C@@H](C)CCO3)nc12	586917216	ODQIHQMKEBOUKB-WPRPVWTQSA-N	231.299	2.754	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CC(C)C)O2	587406792	VHFJDRYELQSSCJ-JTQLQIEISA-N	233.311	2.957	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2[C@H](O)C[C@H](C)[C@H]2[C@@H]1O	2356557159	BUEONAAYGVOTFR-CUFWQULOSA-N	240.387	2.683	0	1	BFAF	
Cc1cc(C)cc(CN2C=CS[C]2N)c1	2356858030	XSMMZGVDGZIESE-UHFFFAOYSA-N	219.333	2.729	0	1	BFAF	
O=C(/C=C1\CCc2ccc(Cl)cc21)NC1CC1	27328308	WBUTUGOZDDIVDJ-JXMROGBWSA-N	247.725	2.948	0	1	BFAF	
COCCN[C@@H](C)Cc1ccc(SC)cc1	49018173	MDSVGWNIKXFCMY-NSHDSACASA-N	239.384	2.576	0	1	BFAF	
CCCNc1nc(N2CCC[C@H]2C)ncc1C	82212718	RGWXLKHYDUNRJT-LLVKDONJSA-N	234.347	2.596	0	1	BFAF	
COC(=O)/C=C\c1ccc2c(c1)CCC(C)(C)O2	140454175	LJVHTBSSXIJSNU-ALCCZGGFSA-N	246.306	2.976	0	1	BFAF	
CSc1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1	587190300	HIYJPBHOSCOSOM-SECBINFHSA-N	249.383	2.777	0	1	BFAF	
CC(=O)c1ccc2nc([C@@H](N)C(C)(C)C)[nH]c2c1	587258695	IWFJXIRADUIEIZ-GFCCVEGCSA-N	245.326	2.811	0	1	BFAF	
CCOCCOCc1nc2ccc(CC)cc2[nH]1	587778745	OOVUQXREYWUKJR-UHFFFAOYSA-N	248.326	2.678	0	1	BFAF	
CC(C)(C)NC[C@@H]1C[C@@H]2CCCC[C@H]2CN1	1772650941	PSVHZTBJEAUZSI-AVGNSLFASA-N	224.392	2.543	0	1	BFAF	
C=Cc1nc2cncnc2n1Cc1ccccc1	5853277	PFDOYAAVYUTOLH-UHFFFAOYSA-N	236.278	2.518	0	1	BFAF	
Cc1ccc(C)c2c(=O)oc(NC(C)C)nc12	27547152	XHHFVWKAOPWTSB-UHFFFAOYSA-N	232.283	2.625	0	1	BFAF	
C[C@H]1CC[C@H]2C(C)(C)CC(=O)C[C@]2(C)O1	86021165	VXIZSNZJQJVFMK-GAFUQQFSSA-N	210.317	2.949	0	1	BFAF	in-man
CCCCC(=O)c1c(O)oc2ccccc2c1=O	101959784	BVDDWEORJKPBCU-UHFFFAOYSA-N	246.262	2.872	0	1	BFAF	
NC[C@]1(CC(=O)O)CC[C@@H](c2ccccc2)CC1	299809356	MTQJAJYWWIGFEW-CTYIDZIISA-N	247.338	2.764	0	1	BFAF	
COc1c2ccc(=O)oc2cc2occ(C)c12	45495679	NZKNMVSLDOKHFA-UHFFFAOYSA-N	230.219	2.856	0	1	BFAF	
CC(=O)O[C@H]1CCCC[C@H]1Nc1ccccc1	103278551	VPIZNHATCOSMLT-KGLIPLIRSA-N	233.311	2.973	0	1	BFAF	
CC(C)(C)/C(O)=C/C(=N)c1cccnc1	103530361	ZVQNYMICOXIYOD-AGMUMMKGSA-N	204.273	2.937	0	1	BFAF	
CCn1c([C@@H]2C=CCC=N2)nc2cnccc21	169718869	XFZLZEKQDUDVTQ-JTQLQIEISA-N	226.283	2.523	0	1	BFAF	
OCc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1	586895622	QCLSDEDVTMYCGU-UHFFFAOYSA-N	242.253	2.861	0	1	BFAF	
CSc1ccc2nc([C@@H]3O[C@H]3C)[nH]c2c1	586917273	ORKGOSMFBDHZCU-QUBYGPBYSA-N	220.297	2.745	0	1	BFAF	
CC(C)[C@H](N)c1cc2c3c(cccc3n1)CC2	587210755	GZABLFXHAKEFDD-HNNXBMFYSA-N	226.323	2.989	0	1	BFAF	
CCC[C@H](C)c1nc2nc(O)nc(O)c2cc1C	587561567	RDDQAAFHLJVVKR-ZETCQYMHSA-N	247.298	2.648	0	1	BFAF	
C[C@@H]1CCC(=O)[C@@H]2CC(=O)[C@@H]3[C@H](C3(C)C)[C@@]12C	2356407047	OAZXHCVVSKAMMX-IDVPMLIHSA-N	234.339	2.853	0	1	BFAF	
Cc1cccc(N(C)C(=O)c2cnoc2C)c1	385200	QYFXSBUWLXUATR-UHFFFAOYSA-N	230.267	2.568	0	1	BFAF	
CN1C[C@H]2CC[C@@H](C1)C2c1ccccc1	13494195	PCIZKUQSMBPAAB-PBWFPOADSA-N	201.313	2.742	0	1	BFAF	
C[C@@H]1C(=O)C=C2C=C3C(=O)C(C)(C)C[C@@H]3[C@]21C	14439652	SIDZVYUQRUPESE-SXKNGAHQSA-N	230.307	2.693	0	1	BFAF	biogenic
C[C@H](O)CCCCc1ccc2c(c1)OCO2	14610317	CRJTVKZRDOEDRM-JTQLQIEISA-N	222.284	2.509	0	1	BFAF	biogenic
COc1cccc(-c2cccc(OC)c2N)c1N	26507861	SVRSNVGNFVYPQX-UHFFFAOYSA-N	244.294	2.535	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]1(O)C3	59172726	IPUFFAVJUSCNSW-WPTOEGHWSA-N	238.371	2.725	0	1	BFAF	
CC1=CC2=C(CC(C)(C)[C@@H]2O)[C@H](C)CC[C@@H]1O	96911610	IHFBKYWCINTNIX-BIGNPOOSSA-N	236.355	2.811	0	1	BFAF	
CCN1CCC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]13	101556372	QDOXGRGGXMWJPM-YCQMLSDISA-N	205.345	2.907	0	1	BFAF	
CN(Cc1ccccc1)C1=NC(=O)C(C)(C)S1	103168453	TVFQIZYUOXCXDH-UHFFFAOYSA-N	248.351	2.526	0	1	BFAF	
Oc1ccccc1[C@@H](O)/C=C/c1ccncc1	299855967	BJGSRXODPULPNJ-GJBLVYBDSA-N	227.263	2.534	0	1	BFAF	
Oc1ccc(-c2cnn(-c3ccccc3)n2)cc1	473112068	CTICJBLHDSADTH-UHFFFAOYSA-N	237.262	2.640	0	1	BFAF	
C[C@@H]1c2c(nc3cccc4c3c2CC4)CC[C@@H]1O	587215979	QILSMPWDYFOOBW-XPTSAGLGSA-N	239.318	2.744	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@@H]([C@](C)(O)CO)CC1	2356717322	OUYSUIFFVMUYNC-NZBPQXDJSA-N	238.371	2.892	0	1	BFAF	
c1cc(-c2ccnc(NC3CCCC3)n2)ccn1	26648099	DXOBPBDIBGMZIK-UHFFFAOYSA-N	240.310	2.893	0	1	BFAF	
C[C@H]1CCC[C@@H]2Cc3ccccc3[C@@]12N	27724559	SEIXOAIDAGGEFF-ZKYQVNSYSA-N	201.313	2.833	0	1	BFAF	
CSc1ccc(-c2cnoc2O)cc1	28378091	XPORSTNOYXQBFX-UHFFFAOYSA-N	207.254	2.769	0	1	BFAF	
O=C(O)c1cc2sccc2c(N2CCCC2)n1	66112332	DINOWPUSAJWUDR-UHFFFAOYSA-N	248.307	2.595	0	1	BFAF	
CC[C@H](C)COc1ccccc1OC(=O)NC	84655513	YGOYGBFIKNSHIN-JTQLQIEISA-N	237.299	2.830	0	1	BFAF	
C[C@]12N[C@@H]([C@H]3CCCC[C@@H]31)[C@H](O)c1ccccc12	100659806	QUUVVNAADCNVJY-QJXWRWMASA-N	243.350	2.727	0	1	BFAF	
C1=C[C@@H]2C[C@@H]1[C@@H](CNCc1ccco1)C2	103979484	HLSOEDHCUUNGPI-IJLUTSLNSA-N	203.285	2.581	0	1	BFAF	
CC1(C)N[C@@H]1[C@@H](O)c1ccc(Cl)c(Cl)c1	169316463	VZDLIGXVHUBRJD-VHSXEESVSA-N	246.137	2.777	0	1	BFAF	
COc1cncc2nc(C3=CCCC3)[nH]c12	586884231	OXEYWYZOMVGCIW-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
Cc1nccc2[nH]c(C(F)(F)C(F)F)nc12	587088921	FKPMDQFNZGECFM-UHFFFAOYSA-N	233.168	2.623	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)O[C@H](C)[C@H](C)[C@H]2CO1	2356324056	OYRLEHIYCBZMJA-AXTSPUMRSA-N	224.300	2.514	0	1	BFAF	
CC(=O)CCCCCC=CC1=C(C)C(=O)OC1	2356580138	LYDASAJHAHFJTL-UHFFFAOYSA-N	236.311	2.955	0	1	BFAF	
C[C@@H]1C(=O)C[C@@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@@]312	2356801227	QNHNMKVZFMGGJB-QFKQNQDGSA-N	248.322	2.659	0	1	BFAF	
O=c1[nH]nc2ccccc2c1Cc1ccccc1	17210191	HVTYMRBGEVMDRL-UHFFFAOYSA-N	236.274	2.514	0	1	BFAF	
COc1ccc2c(c1)CCc1cc(O)cc(O)c1-2	35940435	WWIKJVHFHYAUTF-UHFFFAOYSA-N	242.274	2.872	0	1	BFAF	
Cc1cccc2c3c([nH]c12)[C@H]1CCC(=O)N1CC3	95797418	ACZLRRWLNXKBQR-GFCCVEGCSA-N	240.306	2.696	0	1	BFAF	
Cc1cccc2c1NC1=NCCC[S@@H]1C2	100038816	DVKCIOWPHYAASA-UHFFFAOYSA-N	220.341	2.681	0	1	BFAF	
CC1(C)C[C@@H]2[C@H](O)C(CO)=C3CC[C@@]3(C)[C@@H]2C1	2356740887	RUUOBEGCMNHGCW-BYDSVVRCSA-N	236.355	2.502	0	1	BFAF	
COc1ccc2[nH]c3c(c2c1)C[C@H](N(C)C)CC3	26964490	KOGRUJJHBIUTRH-SNVBAGLBSA-N	244.338	2.595	0	1	BFAF	
CCCCNc1nc2c(C)cccc2c(=O)o1	27526542	VPONVVHFCFZMBG-UHFFFAOYSA-N	232.283	2.708	0	1	BFAF	
CN1C(=O)CC[C@]2(C)c3ccccc3CC[C@H]12	40641521	DUPYOBAMKICXQY-DZGCQCFKSA-N	229.323	2.511	0	1	BFAF	
C[C@@H](C(=O)c1cccc(F)c1)N1CCCCC1	45365786	UDGISDAHRCDXMV-NSHDSACASA-N	235.302	2.883	0	1	BFAF	in-vivo
CCCNc1nc(N2CCC[C@@H]2C)ncc1C	82212716	RGWXLKHYDUNRJT-NSHDSACASA-N	234.347	2.596	0	1	BFAF	
CC1(C)CCC[C@@](C)(O)[C@H]2CCC(CO)=C[C@@H]21	238751169	QRYPQTUSGXZGNH-KCQAQPDRSA-N	238.371	2.892	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](CO)[C@H]2C[C@@H]1O	2356323806	OAOAEDGPQMILBW-KHMAMNHCSA-N	238.371	2.604	0	1	BFAF	
CC1=C2C[C@]3(C)C(=CCC[C@@H]3C)C[C@@]2(O)OC1=O	14450165	WJTUALPSQZTCPQ-ULKVUYOBSA-N	248.322	2.705	0	1	BFAF	biogenic
CC1=C(C(=O)O)C(=O)[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]132	14509418	GVYNVUXBKXMTRQ-LLQQRXHISA-N	248.322	2.803	0	1	BFAF	biogenic
Nc1ccc2c(ccn2C(=O)c2cccs2)c1	64622529	IKIOIIUPABMJGK-UHFFFAOYSA-N	242.303	2.974	0	1	BFAF	
O=Cc1ccc(-c2ccc3c(c2)COC3=O)s1	73220969	CMIFYGDVYBWRMQ-UHFFFAOYSA-N	244.271	2.898	0	1	BFAF	
CC1=CC[C@@H]2[C@H](C1)C(=O)c1ccccc1[C@@H]2O	85924099	ZFJHEGLUSLQBNU-RDBSUJKOSA-N	228.291	2.889	0	1	BFAF	
COc1cccc(N(Cc2cnc[nH]2)C(C)C)c1	95562323	DCFNZAPUZDWYSA-UHFFFAOYSA-N	245.326	2.833	0	1	BFAF	
CC(=O)c1cc(C(=O)CC(C)C)c(O)cc1O	225264630	GIYLHBKMMNKKQT-UHFFFAOYSA-N	236.267	2.529	0	1	BFAF	
Cc1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2n1	586884342	HDWAQQJVYBRULA-JTQLQIEISA-N	243.310	2.883	0	1	BFAF	
C(=C/c1nc2cncnc2[nH]1)\c1ccsc1	587025071	FQHLHHXKQFSSES-OWOJBTEDSA-N	228.280	2.585	0	1	BFAF	
CSc1ccc2nc([C@H](N)[C@@H](C)F)[nH]c2c1	587126829	ZQUHUIJUSRVVBB-LHLIQPBNSA-N	239.319	2.643	0	1	BFAF	
CCO[C@@H]1Cc2c1nc1cccc3c1c2CC3	587212642	BXOFCJZRWVUFRC-CYBMUJFWSA-N	225.291	2.967	0	1	BFAF	
COCC(=O)c1coc2ccc(Cl)cc12	587275979	ITGIQXAFHVMPKB-UHFFFAOYSA-N	224.643	2.915	0	1	BFAF	
CCC=Cc1cc2cccc(O)c2c(=O)o1	2356603807	KIVJBPPONQCANS-UHFFFAOYSA-N	216.236	2.922	0	1	BFAF	
CC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@@H](O)CC[C@]21C	2356721883	RCYZLITTYILPNL-ULZOKTCUSA-N	236.355	2.501	0	1	BFAF	
O[C@H]1c2ccccc2OC[C@@H]1Cc1ccccc1	3199001	PXYMHFRDMNPYMI-XJKSGUPXSA-N	240.302	2.971	0	1	BFAF	
CC(C)[C@@H]1C[C@H](O)C[C@@H]2[C@@H](C)CC[C@@H](C)N12	14660407	WPYIYVXSMXASQL-ZUWCUPBKSA-N	225.376	2.655	0	1	BFAF	biogenic
Cc1nc(Cl)ccc1[C@H]1C[C@@H]2CC[C@@H]1N2	101156088	CEIOZCMVGWULLM-GDPRMGEGSA-N	222.719	2.651	0	1	BFAF	
Cc1ccc(-c2nc(N)nc(Cl)c2C)cc1	219304669	RHJHAFLOLLTDPD-UHFFFAOYSA-N	233.702	2.996	0	1	BFAF	
CC(C)=C[C@H](O)C[C@](C)(O)c1ccc(C)cc1	238787320	LWSUCBOVPPLFKU-GJZGRUSLSA-N	234.339	2.920	0	1	BFAF	
CCN1CCc2c(nc3cccc4c3c2CC4)C1	587211647	HNEFXHPEKCLBAF-UHFFFAOYSA-N	238.334	2.711	0	1	BFAF	
O=C1C[C@H]2C[C@@H]1c1c2nc2cccc3c2c1CC3	587216010	YCKCWGHABVWIRB-KOLCDFICSA-N	235.286	2.877	0	1	BFAF	
COc1ccc(/C=C/c2cncnc2)cc1	653769950	JHRZTUJZYZNOKJ-NSCUHMNNSA-N	212.252	2.656	0	1	BFAF	
COc1cccc2c1[C@@H](CN)c1ccccc1C2	40424554	MVQHAVPXHRGPMI-AWEZNQCLSA-N	239.318	2.690	0	1	BFAF	in-vivo
COc1cc(OC)c2c(=O)cc(C(C)C)oc2c1	40847446	VVYHDHMKQMHFSH-UHFFFAOYSA-N	248.278	2.934	0	1	BFAF	
C[C@@H]1N=C(/C=C(\O)c2ccccc2)N(O)C1(C)C	101669935	VFSZOUSVCCLKQZ-JMZICWNOSA-N	246.310	2.856	0	1	BFAF	
CC1(C)[C@@H]2[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)CC[C@H]21	145302180	DWNPMJOWAWGIMM-QSYFAPPXSA-N	238.371	2.581	0	1	BFAF	
C[C@@H]1[C@H](O)CCN[C@@H]1/C=C/C=C\c1ccccc1	212221232	BDDSGELKWZUGTC-VMSJIFAWSA-N	243.350	2.615	0	1	BFAF	
CN1CCC[C@H]2C[C@H]1c1ccc(O)cc12	299810768	CZSRYFBAUSBQRZ-ZANVPECISA-N	203.285	2.646	0	1	BFAF	
Cc1cc2[nH]c(C3CCC3)nc2c(C)n1	586885022	UTQMJWFODFRTGD-UHFFFAOYSA-N	201.273	2.842	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2cc(C)cnc2[nH]1	586914950	ZXPIYWYVMXUVNE-CMPLNLGQSA-N	245.326	2.939	0	1	BFAF	
Cc1cc2c(c3c1C(=O)C(=O)N3)[C@@H](C)C[C@@H]2C	2356402930	VHJKQWDMBHIQRR-BQBZGAKWSA-N	229.279	2.741	0	1	BFAF	
Cc1cc2c(c3c1C(=O)C(=O)N3)[C@H](C)C[C@H]2C	2356402931	VHJKQWDMBHIQRR-RNFRBKRXSA-N	229.279	2.741	0	1	BFAF	
COC(=O)c1ccc2[nH]c3cc(O)ccc3c2c1	14445263	DLSYIZRGLJIEKT-UHFFFAOYSA-N	241.246	2.813	0	1	BFAF	biogenic
C=C1CCC[C@H](CO)C(=O)C[C@H]2[C@@H]1CC2(C)C	14445429	BCRCLRXVJYXWBA-UPJWGTAASA-N	236.355	2.957	0	1	BFAF	biogenic
c1coc(-c2nc(CN3CCCC3)co2)c1	72174692	QVFFTOCWXXWCIT-UHFFFAOYSA-N	218.256	2.530	0	1	BFAF	
CC1(C)N[C@H]1[C@@H](O)c1ccc2ccccc2c1	169316471	CATNXLVQVNCSIK-KBPBESRZSA-N	227.307	2.624	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CC[C@H]2NC3)cn1	253685542	JZQKWOHBHFFOKX-FBIMIBRVSA-N	222.719	2.591	0	1	BFAF	
C[C@H](O)CC[C@H]1[C@H](C)CC(=O)CC1(C)C	257521760	QIHMBTNCJUFMCE-SCVCMEIPSA-N	212.333	2.789	0	1	BFAF	endogenous,in-man
CCC[C@@H](C)c1nc2nc(O)nc(O)c2cc1C	587561566	RDDQAAFHLJVVKR-SSDOTTSWSA-N	247.298	2.648	0	1	BFAF	
CC(=O)CC[C@H](C=CC(C)(C)O)C(C)C	2356536546	ONFMWCGMHFLYNV-GFCCVEGCSA-N	212.333	2.955	0	1	BFAF	
C[C@]12CCC[C@]3(C)C[C@H]1[C@](O)(CO)CC[C@]23C	2356815468	CRXRVQGQUWUBSB-NIFZNCRKSA-N	238.371	2.726	0	1	BFAF	
CC(C)c1ccc(C2N3CCCN23)cc1	19168844	CGTOAJWVPYVTAM-UHFFFAOYSA-N	202.301	2.745	0	3	BFAF	
C[C@@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC[C@@H]2[C@]34C1	13783771	BCZFSDNVXODRAJ-XSEXMBABSA-N	247.382	2.866	0	1	BFAF	
C[C@@H]1Cc2cc3c(cc2OC1=O)OC(C)(C)CC3	14886665	STSBELBOEQBKCP-SECBINFHSA-N	246.306	2.888	0	1	BFAF	biogenic
O=C1Cc2c([nH]c3ccccc23)-c2ncccc2N1	29055236	GVRZEQYUWSXMPG-UHFFFAOYSA-N	249.273	2.725	0	1	BFAF	
COC1=CC(c2ccco2)=N/C1=C\c1ccc[nH]1	95552337	BFEXLZKQZVVJNY-FLIBITNWSA-N	240.262	2.982	0	1	BFAF	
COc1c(-c2ccnn2C)[nH]c2cc(F)ccc12	587635858	OPIHFCOCXROBHH-UHFFFAOYSA-N	245.257	2.716	0	1	BFAF	
CCn1c2ccccc2c2oc(CO)cc21	96917211	YSKMJNHPDMTENZ-UHFFFAOYSA-N	215.252	2.900	0	1	BFAF	
C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1ccc(O)cc1)C2	101146406	PEYNAHYOLHUKKH-CORIIIEPSA-N	231.339	2.907	0	1	BFAF	
Oc1ccc(Nc2n[nH]c3cccnc23)cc1F	166861579	NLJLLPXOYMEURM-UHFFFAOYSA-N	244.229	2.546	0	1	BFAF	
c1cc2[nH]c(-c3occ4c3CCC4)nc2cn1	586905618	VYGLEIPKQLNWIK-UHFFFAOYSA-N	225.251	2.707	0	1	BFAF	
O=C(O)CCCc1cc2c3c(cccc3n1)CC2	587216124	ZUYBMTMMCQIPFX-UHFFFAOYSA-N	241.290	2.741	0	1	BFAF	
CC1(C)C(=CC2OCCO2)[C@H]2CC[C@H]1C2	2356322129	YUBWRTQDLRVKLJ-UWVGGRQHSA-N	208.301	2.742	0	1	BFAF	
CC1=CC[C@H]([C@](C)(O)[C@H]2C[C@@H]2C(C)(C)O)CC1	2356326271	VTGQZIHVIHQHGP-ABHRYQDASA-N	238.371	2.891	0	1	BFAF	
COC1=C(C)C(=O)O[C@@H](C=Cc2ccccc2)C1	2356699101	CSMBYJHAWMUEKM-ZDUSSCGKSA-N	244.290	2.936	0	1	BFAF	
CC1=CC[C@]2(CC1)[C@H](C)[C@@H](O)C[C@@H]2C(C)(C)O	2356789203	DAAXYWYGVVILBO-COMQUAJESA-N	238.371	2.891	0	1	BFAF	
Oc1cccc2c1C[C@H]1CCN(CC3CC3)[C@@H]1C2	12355950	IOHQVZZQVYGLGG-UKRRQHHQSA-N	243.350	2.591	0	1	BFAF	
Cc1nc(-c2nc(-c3ccncc3)no2)cs1	19835847	ZPHVYJGIHLKTMK-UHFFFAOYSA-N	244.279	2.564	0	1	BFAF	
CCCc1nc2ccccc2n2cncc12	26572421	IMADVMIICMCPEB-UHFFFAOYSA-N	211.268	2.835	0	1	BFAF	
C[C@H]1CC[C@]23C[C@@]1(C)[C@@H](O2)[C@@H]1[C@@H]3CC[C@@]1(C)O	103550371	ZZIIQFIUUNNRQC-UWGWRVQFSA-N	236.355	2.741	0	1	BFAF	biogenic,in-vitro
CC(C)[C@H]1Cc2[nH]c(=O)c3ccccc3c2CO1	210426829	BZZGSVOPMZGMAO-CQSZACIVSA-N	243.306	2.625	0	1	BFAF	
Cc1ccc(C)c(Cc2nc3cnncc3[nH]2)c1	587958768	JNVPYPJWHHGDJQ-UHFFFAOYSA-N	238.294	2.561	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@]3(CO)CC[C@]21C[C@H]3O	2356615542	GDNYODZUJONCKY-URFZWBKFSA-N	238.371	2.582	0	1	BFAF	
Cc1c(CCC(C)C)oc(=O)c(C)c1O	2356848996	PKMIDZHKFKLNCV-UHFFFAOYSA-N	210.273	2.551	0	1	BFAF	
C[C@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H](C)N1C	253907983	VTLHUCDLENWPBT-DABQJJPHSA-N	247.338	2.715	0	3	BFAF	
COc1ccc(-c2[nH]c3nccnc3c2C)cc1	13492960	ZUHJPCPWABPZDY-UHFFFAOYSA-N	239.278	2.942	0	1	BFAF	
C=C(CO)C(=O)[C@@H]1CCC2=CCC[C@@H](C)[C@@]21C	14445773	NEUJHRQRRDXWQD-ZLDLUXBVSA-N	234.339	2.877	0	1	BFAF	biogenic
O=C(c1ccc(F)cc1)c1ccc(CO)cc1	95067937	XQVBLWOAKSSYCW-UHFFFAOYSA-N	230.238	2.549	0	1	BFAF	
Cc1cc2c(cc1O)[C@@]1(C)CC[C@](O)(O2)C1(C)C	100824161	KANVQRLDTGOSBL-CABCVRRESA-N	248.322	2.859	0	1	BFAF	endogenous,in-man
CC/C(C)=C1/OC(=O)N(c2ccc(F)cc2)C1=O	103283234	MGYUYDMVDKXKKR-DHZHZOJOSA-N	249.241	2.993	0	1	BFAF	
Clc1ccnc2[nH]c(C3CC4(COC4)C3)nc12	586917360	STKGUYGHWZFAEG-UHFFFAOYSA-N	249.701	2.505	0	1	BFAF	
c1cc2c3c(cc(-c4ccnnc4)nc3c1)CC2	587212615	UAAUWIIMPCAZNX-UHFFFAOYSA-N	233.274	2.790	0	1	BFAF	
CC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446027	RQXMDBLQYNEHPM-QMTHXVAHSA-N	232.279	2.611	0	1	BFAF	
C=C(C(=O)O)[C@@H]1CC=C2CCC(=O)[C@@H](C)[C@]2(C)C1	14450134	AXYFUUAVMRWJKT-HFAKWTLXSA-N	248.322	2.969	0	1	BFAF	biogenic
CC1(C)CCc2cc3ccc(=O)oc3cc2O1	14885096	OHVLVQZSSLHFMS-UHFFFAOYSA-N	230.263	2.897	0	1	BFAF	biogenic
Cc1ccc(-n2nncc2-c2cccnc2)cc1	26159073	SJMYZXLWZPELHJ-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
CCc1c(C)[nH]c2cc(OC)c(F)cc2c1=O	64539715	ZCUUVDIRRJZGFY-UHFFFAOYSA-N	235.258	2.547	0	1	BFAF	
C1=C[C@@H]2C[C@@H]1[C@H](CNCc1ccco1)C2	103979490	HLSOEDHCUUNGPI-UTUOFQBUSA-N	203.285	2.581	0	1	BFAF	
Cc1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1	586897642	BQKNZRZDFHPNNG-PHIMTYICSA-N	230.311	2.890	0	1	BFAF	
Cc1[nH]nc2nc(O)cc(C3CCCC3)c12	1911577299	WFOYYCHNXIBNJA-UHFFFAOYSA-N	217.272	2.630	0	1	BFAF	
c1ccc(-c2cnc(-c3ccccn3)nn2)cc1	1417671	AUTKUCVVRPJBCM-UHFFFAOYSA-N	234.262	2.601	0	3	BFAF	
COc1cc(C=O)cc2c1[nH]c1cc(O)ccc12	13482900	XFUKQXWOHFZSSM-UHFFFAOYSA-N	241.246	2.848	0	1	BFAF	biogenic
CC1=C[C@@H]2C[C@](C)(CO)C[C@@H]2[C@@]2(C)CC[C@@]12O	14680876	UVODWOHUXRTKAR-GZBLMMOJSA-N	236.355	2.502	0	1	BFAF	biogenic
CC(C)Cc1ccc([C@H](C)c2nnn[nH]2)cc1	33648713	OBYHXVBZLQODNI-JTQLQIEISA-N	230.315	2.550	0	1	BFAF	
CN(C)CCC[C@@H]1CCO[C@H](c2ccccc2)O1	71294986	NJXMZJKKFDXHRC-CABCVRRESA-N	249.354	2.833	0	1	BFAF	
CC[C@H](C)CNc1nc(N2CCCC2)ncc1C	82201791	CUQKGWYMXMLAPP-NSHDSACASA-N	248.374	2.843	0	1	BFAF	
O=C(Nc1ccccc1)O[C@H]1C[C@@H]2CCC[C@@H]1N2	100832802	BLXVLQQWVJDBTF-AVGNSLFASA-N	246.310	2.518	0	1	BFAF	
Cc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1	587085729	DJDLVSDSDPVDOU-UHFFFAOYSA-N	244.685	2.982	0	1	BFAF	
CCCC/C=C/c1nc2cnncc2[nH]1	587966126	SBYMIGJOEOIZCR-AATRIKPKSA-N	202.261	2.556	0	1	BFAF	
COc1cccc2c1CCC=C2c1c[nH]cn1	13765300	YUEWGFBQJSQEKV-UHFFFAOYSA-N	226.279	2.796	0	1	BFAF	
O[C@@H]1CCc2cc(-c3cccnc3)ccc2C1	40393496	ROYVUWJYYRTBSK-OAHLLOKOSA-N	225.291	2.598	0	1	BFAF	in-vivo
c1ccc([C@@]23CCCN[C@H](CC2)C3)cc1	101194817	GTIANQVFLDRAFB-KGLIPLIRSA-N	201.313	2.860	0	1	BFAF	
BrC1=C[C@H](C2CCCCC2)ON1	225642269	QCDCZTOQLBAGAQ-MRVPVSSYSA-N	232.121	2.706	0	1	BFAF	
O[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1	586896621	OWFYZIYACNGJQJ-AOOOYVTPSA-N	216.284	2.581	0	1	BFAF	
Cc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1F	587968309	MOWLNKNRIZXWFI-ZUVMSYQZSA-N	246.241	2.664	0	1	BFAF	
Oc1ccccc1CCNCc1ccccc1F	1649015130	HDENXYNRNAYKDT-UHFFFAOYSA-N	245.297	2.864	0	1	BFAF	
O=NC=C1C=CN(CCCCCC(=O)O)C=C1	1772599792	JZCUJKMJUDAJPD-UHFFFAOYSA-N	236.271	2.625	0	1	BFAF	
C[C@@H]1c2c([nH]c3ccccc23)CC[C@H]1C(=O)O	4018934	CLRAKOGNZHAAMR-DTWKUNHWSA-N	229.279	2.918	0	3	BFAF	
CC[C@H](Cc1cc2ccccc2c(=O)o1)OC	13380367	JVPBEOSSMYEDID-LLVKDONJSA-N	232.279	2.761	0	1	BFAF	biogenic
CCC[C@@H](C(=O)c1ccc(O)cc1)N1CCCC1	13682078	XCHIECWEKDGHNL-AWEZNQCLSA-N	247.338	2.839	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CO	15147898	SYSFCGLKPBVTDQ-BHPKHCPMSA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
COc1c2c(cc3ccccc13)CC[C@@H](N)C2	26166661	XZOPIEFNQZTGHL-GFCCVEGCSA-N	227.307	2.664	0	1	BFAF	in-vivo
Clc1ccc(C2=C[C@@H]3CC[C@H](C2)N3)cn1	27638909	XBTJJUGPWLAITG-WDEREUQCSA-N	220.703	2.643	0	1	BFAF	
CC(C)CC[C@@]1(C)SC(=O)[C@H](C)C1=O	58590952	YGQAILHTORSALQ-LDYMZIIASA-N	214.330	2.660	0	1	BFAF	
O=C1c2ccccc2OC[C@H]1c1ccc(O)cc1	84604577	PEYYANKYYLJLQM-ZDUSSCGKSA-N	240.258	2.751	0	1	BFAF	
CC/C=C/CCOCN1C=CN(C)/C1=C/N=O	140600328	WGIPWXKYUNLUQJ-XWCDRKNNSA-N	237.303	2.601	0	1	BFAF	
CC[C@@H](C)c1nc2ccc(CCO)cc2[nH]1	587956227	OSORJVUOECFQTP-SECBINFHSA-N	218.300	2.611	0	1	BFAF	
C[C@@H]1CC[C@]2(C)C(=O)CC[C@@H](C)[C@@]2(O)C1	2356711920	GAFZRJDKDAIBQD-WFFHOREQSA-N	210.317	2.543	0	1	BFAF	
CC(=O)Oc1cccc2c1C(=O)CCCC2	5712433	YCYLKMWPCPPMFM-UHFFFAOYSA-N	218.252	2.521	0	1	BFAF	
CC(=O)CCC(=O)[C@]1(C)CCCC(C)(C)C1=O	14494230	DBKNAIYCSLWFQM-AWEZNQCLSA-N	238.327	2.710	0	1	BFAF	biogenic
CC(C)C1=C[C@@H]2[C@@H](CC[C@@]2(C)O)[C@@](C)(O)CC1	15265027	IWQURBSTAIRNAE-APIJFGDWSA-N	238.371	2.891	0	1	BFAF	
CC(C)NCCCOc1cccc2[nH]ccc12	27517638	WVZTUANJXARAQY-UHFFFAOYSA-N	232.327	2.935	0	1	BFAF	
Clc1ccncc1C1=C[C@@H]2CNC[C@@H](C1)C2	101576668	BHFQBHBXODOWRO-NXEZZACHSA-N	234.730	2.748	0	1	BFAF	
O=C(NO)n1c2ccccc2c2ccccc21	142335313	HYMPWWVLZXNRBA-UHFFFAOYSA-N	226.235	2.741	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@@H]1[C@@H]1CCC[C@H]21	169314489	JOOBQJINBSHFNJ-MAWWSGROSA-N	228.339	2.769	0	1	BFAF	
Fc1cncc(-c2nc3cc(Cl)ncc3[nH]2)c1	587176609	AUGWCGOSUBABMM-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
NC(=S)c1cc(-c2ccc(O)cc2)cs1	1857583842	ANBOAZUGZVYSGU-UHFFFAOYSA-N	235.333	2.755	0	1	BFAF	
C[C@@H](CCn1cncn1)Cc1ccccc1	1857749174	DKTXZTXJOMIYJY-LBPRGKRZSA-N	215.300	2.547	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1[C@@H](O)C[C@]1(C)CCC[C@@]2(O)C1	2356340175	IWQJLGOXTOKUGR-FMKNKJFCSA-N	238.371	2.725	0	1	BFAF	
C[C@@]12N[C@H](Cc3ccccc31)c1cc(O)ccc12	100649138	ZDZGEYKVIKYFLF-HZPDHXFCSA-N	237.302	2.856	0	1	BFAF	
CCC1(CC)[C@H](C(=O)O)C1(Cl)Cl	103186922	GCRSJMPLMDOCLE-YFKPBYRVSA-N	211.088	2.681	0	1	BFAF	
Cc1csc(Nc2ncccc2C)n1	149363226	CWAZQSZXLXTOMS-UHFFFAOYSA-N	205.286	2.899	0	1	BFAF	
CC(=O)c1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1	586900230	BLNQLKGECFWYJW-ZDUSSCGKSA-N	246.310	2.845	0	1	BFAF	
Cc1nc2cccc3c2c(c1C1COC1)CC3	587215755	MOCYYWLCSNNLFX-UHFFFAOYSA-N	225.291	2.756	0	1	BFAF	
O=c1c(Cc2cccnc2)coc2ccccc12	653723605	LCKLKXBPLGAYBN-UHFFFAOYSA-N	237.258	2.779	0	1	BFAF	
CC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)[C@H](O)C[C@H]2C	2356617167	TUNSMPIPYQKPSQ-QMIVOQANSA-N	238.371	2.747	0	1	BFAF	
COc1cc(C(=O)O)cc(CC(C)(C)C)c1O	2356696204	ODJRIOFBYCGUKP-UHFFFAOYSA-N	238.283	2.688	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1C[C@H](O)CC[C@H]21	26277045	JBJOLGADJZFNKD-MJBXVCDLSA-N	246.374	2.575	0	1	BFAF	
COc1cccc2c1Cc1ccccc1[C@@H]2CN	40849099	ZJILWLYMMRQWLR-HNNXBMFYSA-N	239.318	2.690	0	1	BFAF	in-vivo
CO[C@@H]1c2ccccc2[C@H]2C[C@]21c1c[nH]cn1	64528359	HSSBMQXDKGERBI-MRVWCRGKSA-N	226.279	2.536	0	1	BFAF	
CCCCO[C@H](CC)O[C@H](C)CO[C@@H](O)CC	169305070	RNFAKTRFMQEEQE-UPJWGTAASA-N	248.363	2.689	0	1	BFAF	
CN1[C@H]2CC[C@H]1[C@H](c1ccc(Cl)nc1)C2	253691742	HLNPMOXPJPCMLY-DCAQKATOSA-N	222.719	2.685	0	1	BFAF	in-vivo
Cc1cncc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587966425	FJKZNKFJNLJPAL-HBNTYKKESA-N	225.295	2.946	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@H]3NC(=N)NC(=C1CC)[C@H]23	2356460607	CEMGHQSRVMICPV-LYIQGSDWSA-N	247.386	2.993	0	1	BFAF	
C[C@H](O)C=C[C@H]1[C@@H](C)CC(=O)CC1(C)C	2356582153	WFSOPDPEWLYCRX-NHCYSSNCSA-N	210.317	2.565	0	1	BFAF	
C[C]1C=CC(O)=C(CCc2ccc(O)cc2)N1	2356852430	MOONSPURGFCJTQ-UHFFFAOYSA-N	230.287	2.806	0	1	BFAF	
C[C@H]1CC(OC(=O)c2ccccc2)C[C@H](C)N1C	5573532	VTLHUCDLENWPBT-RYUDHWBXSA-N	247.338	2.715	0	3	BFAF	
C[C@@H]1CN=C(Cc2cccc3ccccc23)N1	6488535	IBSOVVIMTPSQDA-LLVKDONJSA-N	224.307	2.773	0	1	BFAF	
CC1=CCC[C@]2(C)CC[C@](O)(C(C)C)[C@@H](O)[C@@H]12	15208210	PRGGSRMRYZVZGC-BARDWOONSA-N	238.371	2.891	0	1	BFAF	biogenic
C[C@@H]1CCCN1CCc1ccc(N(C)C)cc1	29131443	KKFGTYGYVFMBON-CYBMUJFWSA-N	232.371	2.779	0	1	BFAF	
Nc1ccc(-c2cnn(-c3ccccc3)n2)cc1	473113557	JHIIPVWSYBAJFA-UHFFFAOYSA-N	236.278	2.517	0	1	BFAF	
N[C@@H](Cc1ccc(Cl)c(Cl)c1)N=O	957588880	HPSGGIMHSLPQDW-MRVPVSSYSA-N	219.071	2.587	0	1	BFAF	
N=C(O)SCNc1cccc(Cl)c1	1857656385	LZVAQGDKAVCIOU-UHFFFAOYSA-N	216.693	2.935	0	1	BFAF	
Cc1cc2c3c(coc3c1)[C@H](O)[C@H](O)[C@@H]2C(C)C	2356698748	MINGOCHWARMETQ-VHDGCEQUSA-N	246.306	2.889	0	1	BFAF	
CC1=C[C@@H]2C[C@]3(O)OC(=O)C=C3C(C)(C)[C@@H]2CC1	5767412	FGUPQPDMAULLNU-HFAKWTLXSA-N	248.322	2.561	0	1	BFAF	biogenic
c1nc(CCCOc2ccc3c(c2)CCC3)c[nH]1	13814631	SAWHURAMAXVQRF-UHFFFAOYSA-N	242.322	2.910	0	1	BFAF	
Cc1ncc2cc(-c3ccccc3)c(N)nc2n1	27300642	ASPHJLZXHSASBE-UHFFFAOYSA-N	236.278	2.582	0	1	BFAF	
CN1[C@@H]2C=C(c3cccc(Cl)n3)C[C@@H]1CC2	169331897	ZTPVMGZWOVVRRQ-QWRGUYRKSA-N	234.730	2.985	0	1	BFAF	
C/C(C(N)=O)=C(\C)c1cccc(C(F)(F)F)c1	1853895	VTXRTWRNDAIGFQ-FPLPWBNLSA-N	243.228	2.984	0	1	BFAF	
c1ccc([C@H]2CCCC[C@@H]2NC2=NCCO2)cc1	13807963	NATLAODAVOGBDD-KGLIPLIRSA-N	244.338	2.689	0	1	BFAF	
COc1ccc2c(c1)[C@]1(N)CC=CC[C@@H]1CC2	26150086	QBQJGSVGTBUOKQ-DOMZBBRYSA-N	229.323	2.762	0	1	BFAF	
COc1ccc2c3c1CN(C)CC[C@@H]3CCC2	27715963	XDDGQKJQRAVADT-LBPRGKRZSA-N	231.339	2.951	0	1	BFAF	
CCCCn1cc2c(n1)c(N)nc1ccccc12	115621707	BRUVQRFMAMBUDN-UHFFFAOYSA-N	240.310	2.967	0	1	BFAF	in-vitro
CC(C)[C@H](N)c1nc2ccc(C(C)(C)C)nc2[nH]1	587259241	RONQMJXEMVHUMA-NSHDSACASA-N	246.358	2.911	0	1	BFAF	
NCc1cc2cc(-c3cccnc3)ccc2[nH]1	1857549721	IXWMDLDHXLUISP-UHFFFAOYSA-N	223.279	2.689	0	1	BFAF	
C[C@H]1[C@H]2CC[C@@H](C)[C@@H]3CC=C4C(=O)O[C@@H]1[C@@H]4[C@H]23	2356416652	BFNUVKSKPNBQRT-LSEXKASDSA-N	232.323	2.786	0	1	BFAF	
C=CC1=C(C)[C@]2(C)[C@H](C)[C@H](O)C[C@]2(C)[C@H](O)C1	2356784823	QHDOCMQUXQLGTK-DIAXPKBXSA-N	236.355	2.667	0	1	BFAF	
CC=C[C@H]1CC(=O)c2cc(C)c(O)cc2O1	2356795066	IGGXNHPZFBZIBM-VIFPVBQESA-N	218.252	2.611	0	1	BFAF	
CCCCC[C@H](O)/C=C/C(OCC)OCC	14492715	MHUXURLVOJXADV-IIANPFDCSA-N	230.348	2.883	0	1	BFAF	
COC(=O)/C=C(\C)CC[C@H]1SC1(C)C	17217625	KHXRTZFWNFCGFH-FCZSHJHJSA-N	214.330	2.780	0	1	BFAF	
O=C1Nc2ccccc2[C@]1(F)c1ccccc1	25980210	HBTHVICXFWXOQG-CQSZACIVSA-N	227.238	2.852	0	1	BFAF	
Oc1cc(O)cc(-c2nc3ccccc3o2)c1	28964539	YKTWLILRERAQCP-UHFFFAOYSA-N	227.219	2.906	0	1	BFAF	
O=C(NC1CCCCC1)Oc1ccccc1CO	59895171	VKYSNQUNXMYIPT-UHFFFAOYSA-N	249.310	2.600	0	1	BFAF	
CCOC(=O)C[C@@H](c1ccccc1)[C@H](C)N=O	169690128	ZFNVLHCLZAHKKO-CMPLNLGQSA-N	235.283	2.878	0	1	BFAF	
Cc1c2c(c(O)c3c(O)cccc13)C(=O)CC2	238732007	QXUNAOKHDNBSFC-UHFFFAOYSA-N	228.247	2.688	0	1	BFAF	
CC1=CC[C@@H](O)[C@]2(C)Cc3occ(C)c3C(=O)[C@@H]12	238767378	JYWURVVLRXXLFU-KYOSRNDESA-N	246.306	2.660	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12[C@@H](O)C[C@]3(C)O	2356384505	SWFQSMGZEMSQMJ-PWDJSDCWSA-N	238.371	2.581	0	1	BFAF	
CC(=O)CC[C@@H](C=CC(C)(C)O)C(C)C	2356536547	ONFMWCGMHFLYNV-LBPRGKRZSA-N	212.333	2.955	0	1	BFAF	
CN[C@]12CCCC[C@@H]1CC(=O)c1ccccc12	29571797	VBXDXDDQEIUQGX-IAQYHMDHSA-N	229.323	2.878	0	1	BFAF	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)OCCO	33979286	JFKCVAZSEWPOIX-QJPTWQEYSA-N	244.331	2.593	0	1	BFAF	in-man
O=C1C=CC[C@@H](c2cnc3ccccc3c2)O1	72123187	WGQDBTXDPAJOHV-ZDUSSCGKSA-N	225.247	2.779	0	1	BFAF	
CC(=O)[C@@H](O)C[C@@H]1[C@@H]([C@@H]2[C@H]3CC[C@@]23C)C1(C)C	101589769	JKXJYVRJLPSTSD-ITTXBHIMSA-N	236.355	2.645	0	1	BFAF	
C[C@H]1N=C(/C=C(\O)c2ccccc2)N(O)C1(C)C	101669931	VFSZOUSVCCLKQZ-WJEYQPDNSA-N	246.310	2.856	0	1	BFAF	
Oc1sc2ccccc2c2ncnc1-2	103523969	MPPDSAVJDLOMOG-UHFFFAOYSA-N	202.238	2.502	0	1	BFAF	
Cc1cc2[nH]c([C@H](C(C)C)N(C)C)nc2c(C)n1	587198737	MHNQLVYVSINMON-ZDUSSCGKSA-N	246.358	2.833	0	1	BFAF	
C[C@@H](C=Cc1ccc2[nH]ccc2c1)CO	2356600276	GNRIVRGDLISVNC-JTQLQIEISA-N	201.269	2.810	0	1	BFAF	
COc1c(C)c(O)c(C(=O)C(C)C)c(O)c1C	14593816	HJCKGGNXLQCBHK-UHFFFAOYSA-N	238.283	2.562	0	1	BFAF	biogenic
CCCCn1c(-c2ccccc2)c(C)[nH]c1=O	29128738	FXYDTRUJDATRCM-UHFFFAOYSA-N	230.311	2.952	0	1	BFAF	
CC[C@@]12CCN(C)[C@@H](Cc3ccc(O)cc31)[C@H]2C	31333694	QGWPXULEDXWEKR-RLCCDNCMSA-N	245.366	2.936	0	1	BFAF	
Cn1ccc2cc(-c3ccccc3)nc(=O)c-2c1	88384372	FLVFCFDIYORZPB-UHFFFAOYSA-N	236.274	2.552	0	1	BFAF	
Fc1nc(Cl)ccc1-c1nc2cccnc2[nH]1	587178077	OWBPIIBAUVWMSF-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
CCCCNc1nc(N)nc(C)c1CCCC	1772578550	WSTNWJZVMKIDIY-UHFFFAOYSA-N	236.363	2.922	0	1	BFAF	
Cc1c(C)c2c(c(C)c1O)[C@H](CO)C(C)(C)O2	3798015	MSIJLGOIJYRGIE-JTQLQIEISA-N	236.311	2.564	0	1	BFAF	
Cc1c(C)c2c(c(N(C)C)c1N)CC(C)(C)O2	13652071	DAFFWJGDHUECTN-UHFFFAOYSA-N	234.343	2.665	0	1	BFAF	
C[C@@H]1CCC[C@H]2C=C[C@@H]([C@@](C)(O)CO)C[C@@]21C	70454682	ZZHXTFNRDOZNKC-KHMAMNHCSA-N	238.371	2.748	0	1	BFAF	biogenic,in-vitro
CC1(C)C[C@@H]2[C@H]1[C@@H]1C[C@]1(C)[C@H](O)CC[C@@]2(C)O	86001541	USFOCJBPTUMHRF-LXAZIXBXSA-N	238.371	2.581	0	1	BFAF	in-man
O=C1C=CC[C@H]([C@H]2C[C@@H]2c2ccccc2)O1	141104283	ROWVDUYSPYFOQF-FRRDWIJNSA-N	214.264	2.662	0	1	BFAF	
COc1cc2c(cc1OC)[C@@H](N(C)C)C(C)=C2	169318018	JHGCVNLHWVXBIZ-AWEZNQCLSA-N	233.311	2.723	0	1	BFAF	
Nc1ccc(/C=C/c2nc3cccnc3[nH]2)cc1	587252175	SDQDQFSZVSSNKN-VMPITWQZSA-N	236.278	2.711	0	1	BFAF	
CC[C@@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1	587955993	NAWRAXGESSBCNG-ZCFIWIBFSA-N	230.271	2.658	0	1	BFAF	
Cc1cc2nc(/C=C/C=C\C(=O)O)[nH]c2cc1C	587969693	VGGGQZJWDMRNES-UZNMPDEFSA-N	242.278	2.834	0	1	BFAF	
COc1ccc2c(c1)[nH]c1c(C)nc(CO)cc12	1857629677	FDQXPUBZWPOFIN-UHFFFAOYSA-N	242.278	2.525	0	1	BFAF	
C[C@H]1C[C@@H](O)C2=C(CO)C(C)(C)[C@H]3CC[C@]21C3	2356476093	APRWDYJEUYMHQR-LFIJZLDSSA-N	236.355	2.502	0	1	BFAF	
CC1=C2[C@H](O)[C@H]3CC[C@@H](C)[C@@]2(C[C@@H]1O)C3(C)C	2356536342	JWRIVMKRTJGBEB-BGDVKMHASA-N	236.355	2.501	0	1	BFAF	
CCCN1C[C@H]2c3c(cccc3OC)CC[C@H]21	13826917	WUKBUIWOSJSWRV-CHWSQXEVSA-N	231.339	2.819	0	1	BFAF	
C[C@@H]1CC(=O)[C@]23[C@H]1CC[C@]2(C)C=C(C(=O)O)[C@@H]3C	14509515	LFKSRWRSZVCLFJ-CDFCKNRYSA-N	248.322	2.659	0	1	BFAF	biogenic,in-vitro
COc1ccc([C@]23CCC[C@H]2CN(C)C3)cc1	72107536	OQMBCBJEQWFPSN-DZGCQCFKSA-N	231.339	2.679	0	1	BFAF	
CN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21	85569877	YGHOKBSKQNTRCZ-ZJIFWQFVSA-N	246.398	2.511	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1CCCN(C)[C@@H]2C1	100926521	INLXGNMYXKPYGX-QMTHXVAHSA-N	217.312	2.949	0	1	BFAF	
Cc1c[nH]c2cc(-c3ccccc3)nc-2n1	101258822	XCTUMIBZQXXHHL-UHFFFAOYSA-N	209.252	2.885	0	1	BFAF	
O=c1c2ccccc2cc2n1[C@H]1CCCC[C@H]1N2	102013592	XXEFUOMEJQJRAP-OLZOCXBDSA-N	240.306	2.911	0	1	BFAF	
O=C1CCC[C@@]2(C1)NCCc1cc(Cl)ccc12	963391021	ORRXKCZEAJLZJX-AWEZNQCLSA-N	249.741	2.824	0	1	BFAF	
NO[C@H](c1ccccc1)c1cccc(F)c1	1857596580	GUMFSHXHXIXHMN-CYBMUJFWSA-N	217.243	2.805	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@@H]1O	2356824560	GWCBXQJXFMEEBJ-SZWZKDINSA-N	238.371	2.725	0	1	BFAF	
CN1C[C@@H](C(=O)O)Cc2c1ccc1ccccc21	2435355	GGNBIXQFUHIOOZ-NSHDSACASA-N	241.290	2.533	0	3	BFAF	
COc1ccccc1C1=NO[C@H]2CCCC[C@H]12	95580609	JETSYCZGLULXST-AAEUAGOBSA-N	231.295	2.988	0	1	BFAF	
CC(=O)OCc1cc2c3ccccc3nc-2c[nH]1	100708268	ZQPZYPNVANJHBL-UHFFFAOYSA-N	240.262	2.731	0	1	BFAF	
Cc1nc(-n2cccc2)c(C)c(C)c1O	143789018	GLOGFDFBRUWQIX-UHFFFAOYSA-N	202.257	2.503	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H](CO)C(=O)[C@@H]1[C@H]2C	196521360	QPWQKMWDBMZDGX-CBLPJQPBSA-N	224.344	2.502	0	1	BFAF	
Cc1cc(Cl)ncc1[C@@H]1C[C@H]2CC[C@H]1N2	253655990	OGHPAVPNKPGGDV-WCABBAIRSA-N	222.719	2.651	0	1	BFAF	in-vitro
CC(C)C[C@H](O)c1nc2cncc(Cl)c2[nH]1	586900655	IQUQDNPKICQSJY-VIFPVBQESA-N	239.706	2.691	0	1	BFAF	
C[C@H]1Cc2cc(Br)c(F)cc2CN1	587817277	BERNCDGEUWIOFQ-LURJTMIESA-N	244.107	2.622	0	1	BFAF	
CN1C=CN(CCCc2ccccc2)C1=CN=O	1857626782	RFYVINPFOQILHC-UHFFFAOYSA-N	243.310	2.903	0	1	BFAF	
CN(C)CCc1nccc2c1[nH]c1ccccc12	1911576540	XRDDLSLWDHDJAJ-UHFFFAOYSA-N	239.322	2.820	0	1	BFAF	
C[C@@H]1C(=O)[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)CC[C@]12O	2356451967	YFIXPNVIFRNVFU-XWKQNIGYSA-N	236.355	2.789	0	1	BFAF	
O=C(O)Cc1ccccc1Oc1ccccc1O	28767090	ISOIJAAMQDZULU-UHFFFAOYSA-N	244.246	2.812	0	1	BFAF	
COC(=O)c1cncn1[C@H](C)c1ccc(C)cc1	29054856	QCPNAMKDNDLJHH-LLVKDONJSA-N	244.294	2.587	0	1	BFAF	
O=C(O)c1ccc2nc(C=C3CCC3)[nH]c2c1	587964670	FVBBKLONIOORAF-UHFFFAOYSA-N	228.251	2.828	0	1	BFAF	
CC[C@@H](C(C)C)[C@@H]1c2c(cnn2C)CCN1C	963953618	BMGZDMSIDUCWDD-GXTWGEPZSA-N	235.375	2.631	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)C[C@](C)(O)[C@@H]3C[C@@]312	2356708826	DQQQGAFDHZXUFN-FBUXBERBSA-N	236.355	2.933	0	1	BFAF	
COC(=O)Cc1ccc(O)c(CC=C(C)C)c1	2356801914	RTXQUMJZISQWEA-UHFFFAOYSA-N	234.295	2.616	0	1	BFAF	
Cc1cc(Cl)ncc1[C@H]1C[C@H]2CC[C@@H]1N2	28864743	OGHPAVPNKPGGDV-KKZNHRDASA-N	222.719	2.651	0	1	BFAF	
Oc1cc(O)cc(OCc2ccc(F)cc2)c1	71296805	MLZJYXINXVBBAI-UHFFFAOYSA-N	234.226	2.816	0	1	BFAF	
O=C1C=CC[C@@H](c2cc3ccccc3o2)O1	72123266	NFMWBNSSBOVBJL-NSHDSACASA-N	214.220	2.977	0	1	BFAF	
CCc1cc2c(c3c1C(=O)C(=O)N3)[C@H](C)C[C@@H]2C	238784414	PBINGJFJSSJYJE-JGVFFNPUSA-N	243.306	2.995	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CC3)C1)O2	587407722	KKTZBOHLUXFRPY-UHFFFAOYSA-N	243.306	2.855	0	1	BFAF	
C[C@H]1CN=C(N(C)C)N1CCC1CCCCC1	36386711	NKJHFSUPIKTKLG-LBPRGKRZSA-N	237.391	2.579	0	3	BFAF	
COc1ccccc1CCc1cc(O)cc(O)c1	13340866	ZXGSOIIHJOKSSX-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	biogenic,in-vitro
C/C(=C/CC[C@](C)(O)c1ccc(C)cc1)CO	13377456	GIBUWLSTZDPUEL-XNISGLLXSA-N	234.339	2.921	0	1	BFAF	biogenic,in-vitro
COc1ccc2c(c1[C@H](C)O)C=CC(C)(C)O2	14451197	OXOGIMIQUUDLGO-VIFPVBQESA-N	234.295	2.933	0	1	BFAF	biogenic
CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1	64528360	HSSBMQXDKGERBI-KWCYVHTRSA-N	226.279	2.536	0	1	BFAF	
NCCSCCc1c[nH]c2ccc(F)cc12	95601589	HEMZPQIVSYHTOH-UHFFFAOYSA-N	238.331	2.541	0	1	BFAF	
C[C@@H]1C[C@@]2(C)C[C@@H](Cc3ccccc32)N1C	103023154	UUIHLUKORNVGJW-KYOSRNDESA-N	215.340	2.983	0	1	BFAF	
CCCC=CCCCC[C@@H](O)[C@H](C)NC(C)=O	2356674914	YNBJXCBPPYCLMH-GXTWGEPZSA-N	241.375	2.789	0	1	BFAF	
Cc1ccc2c(c1)C(N)=C1CCCCN(C)[C]1N2	2356837424	OEGSFOQBJRFQTJ-UHFFFAOYSA-N	242.346	2.696	0	1	BFAF	
CCCCO[C@H](OCC(C)C)C(C)(C)O	13380436	XDNTYWKFQWLSGQ-LLVKDONJSA-N	218.337	2.573	0	1	BFAF	biogenic
C[C@@]12N[C@@H](c3ccccc31)[C@H](O)c1ccccc12	27892204	ICNAEBGGDVSIIR-ARFHVFGLSA-N	237.302	2.641	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CC[C@H]21	29481451	WIKOGZYEVQUKEV-CLMGUBIUSA-N	236.355	2.789	0	1	BFAF	
CC1(C)[C@H]2CC[C@@](C)(O)[C@H]3CC[C@](C)(O)[C@@H]3[C@H]21	95909660	DWNPMJOWAWGIMM-SFJACZDSSA-N	238.371	2.581	0	1	BFAF	biogenic,in-vitro
CCOC(=N)CC(=O)Nc1ccc(Cl)cc1	102921251	RUTBHTOMGFJMTJ-UHFFFAOYSA-N	240.690	2.682	0	1	BFAF	
Cc1c(O)cc(CCCC(C)C)oc1=O	103291445	PWPBTWIUAZEBGE-UHFFFAOYSA-N	210.273	2.633	0	1	BFAF	
C[C@H]1O[C@H]1CCCCCCCC(=O)O	139366380	UBQWCIUBVCDWPN-ZJUUUORDSA-N	200.278	2.589	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1	586892810	WUBFPWOMBJNPHZ-LKFCYVNXSA-N	242.326	2.751	0	1	BFAF	
CC(C)C(=O)O[C@H]1C[C@H]2C(=O)C[C@@]1(C)C2(C)C	2356717313	OHPJGLFLDMKGHR-NURSFMCSSA-N	238.327	2.579	0	1	BFAF	
C[C@@H]1c2c([nH]c3ccccc23)CC[C@@H]1C(=O)O	366965	CLRAKOGNZHAAMR-IUCAKERBSA-N	229.279	2.918	0	3	BFAF	
O=C1N[C@H]2CCCc3ccc(Cl)cc3[C@H]2O1	26643323	ITKXZBDTKKDOPI-WDEREUQCSA-N	237.686	2.826	0	1	BFAF	
CCCC[n+]1ccc(/C=C/c2ncc[nH]2)cc1	29313625	KBICOHLDYMEIPP-UHFFFAOYSA-O	228.319	2.668	0	1	BFAF	
C/C=C1\C(=O)O[C@H](c2ccc(OC)cc2)[C@H]1C	64527067	LUZPAVJGZVTCTI-USFRZQASSA-N	232.279	2.876	0	1	BFAF	
COc1cc2oc(C)c(C)c(=O)c2cc1C	238739361	GUZZHVQENWCZPV-UHFFFAOYSA-N	218.252	2.727	0	1	BFAF	
Cc1cncc(Cc2ccc(NC3CC3)nc2)c1	1772652724	NEJFNYWSUVEJLY-UHFFFAOYSA-N	239.322	2.950	0	1	BFAF	
CCCc1nnc2ccc(-c3ccccc3)nn12	27706886	JEFXLDJWDPFUSQ-UHFFFAOYSA-N	238.294	2.744	0	1	BFAF	
COc1ccc2c3c([nH]c2c1)CC[C@@H](N(C)C)C3	39214065	YAJGLOLEMGGYRL-SNVBAGLBSA-N	244.338	2.595	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1[C@H]1C[C@@]1(C)[C@H](O)CC[C@]2(C)O	40877965	USFOCJBPTUMHRF-DNNYSMPMSA-N	238.371	2.581	0	1	BFAF	
C[n+]1cc(-c2ccccc2)nc2ccccc21	96915125	LGDKYLNTJYOKJU-UHFFFAOYSA-N	221.283	2.726	0	1	BFAF	
CC1(C)[C@@H]2C[C@](C)(O)C[C@H]3CC[C@@](C)(O)[C@H]3[C@@H]21	238732115	TYUOUBYXWCSPRN-XZSFVTMWSA-N	238.371	2.581	0	1	BFAF	
CC1=C2C[C@@]3(C)[C@H](C)CCC(=O)[C@@H]3C[C@H]2OC1=O	238742259	IXMDYOSMFGVWJY-XBTXLRGASA-N	248.322	2.644	0	1	BFAF	
C[C@H](c1ccccc1)c1cc(C(N)=S)ccn1	1857770882	KPCHOWULPSDEIM-SNVBAGLBSA-N	242.347	2.868	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)C3=CC[C@@](C)(O)[C@H]3[C@@H]21	2356579134	QZKYEOSYHRKCOW-MXMAQPRASA-N	236.355	2.501	0	1	BFAF	
CC(C=CC(=O)O)=CC=CCCC[C@@H](C)O	2356619229	XUQIFDLHGYJREE-GFCCVEGCSA-N	224.300	2.681	0	1	BFAF	
N[C]1SC=CN1Cc1cccc(Cl)c1	2356872401	SXUJVJARPFDUMI-UHFFFAOYSA-N	225.724	2.766	0	1	BFAF	
Cc1cc(=O)sc2c3c(ccc12)OCC=C3	26986156	KOPOAHQQWUVXKA-UHFFFAOYSA-N	230.288	2.976	0	1	BFAF	
Cc1cc2nnc(C)n2nc1-c1cccc(F)c1	27653567	QMZFDERWVVEQMQ-UHFFFAOYSA-N	242.257	2.547	0	1	BFAF	
NCc1cccc(-c2ccc3ccnc(N)c3c2)c1	45210460	XFPYJCTYXPZCQQ-UHFFFAOYSA-N	249.317	2.943	0	1	BFAF	
CCNC(=O)c1cn(C(C)(C)C)c2ncccc12	72323116	GZTSYVYTMQMXQG-UHFFFAOYSA-N	245.326	2.541	0	1	BFAF	
CCCOc1ccc2c(c1)CCc1nccn1-2	95596770	DBDZWZZBHTYEIG-UHFFFAOYSA-N	228.295	2.760	0	1	BFAF	
CSC(=O)NCCc1c[nH]c2ccccc12	299834775	UFBJIWZJGBIRMB-UHFFFAOYSA-N	234.324	2.783	0	1	BFAF	
Cc1c(F)cc(-c2nc3cncnc3[nH]2)cc1F	587132694	JMVFEJXCAKLNBI-UHFFFAOYSA-N	246.220	2.607	0	1	BFAF	
CC(=O)OC(C)(C)C(=O)c1coc2ccccc12	587280425	DOUVOICXLVHICV-UHFFFAOYSA-N	246.262	2.957	0	1	BFAF	
C=CC(=O)Nc1nc(-c2ccccc2O)cs1	1857586567	MWODTHSUSGJTJI-UHFFFAOYSA-N	246.291	2.640	0	1	BFAF	
CC(=O)c1c(O)cc(=O)oc1-c1ccc(C)cc1	104972181	VRNIEJQWEIEBHM-UHFFFAOYSA-N	244.246	2.523	0	3	BFAF	
C1=C(CCn2ccnc2)c2cccnc2CC1	13808192	DJMSMHXCSIBVSA-UHFFFAOYSA-N	225.295	2.698	0	1	BFAF	in-vivo
O=C(/C=C1\CCc2ccc(F)cc21)NC1CCC1	27329705	AJXQGLCZWKYLLM-DHZHZOJOSA-N	245.297	2.824	0	1	BFAF	
CCCCN[C@H]1CCc2cc(OC)ccc2C1	28865151	SCGPXLLBWYLOQS-AWEZNQCLSA-N	233.355	2.942	0	1	BFAF	
O=C1Cc2ccc(C3CCCC3)cc2O1	29248658	OIRHQGHRYPAAKY-UHFFFAOYSA-N	202.253	2.806	0	1	BFAF	
NC/C=C(/F)COc1ccc(C(F)(F)F)cc1	84653366	YJEMLXGENHRZMS-WEVVVXLNSA-N	249.207	2.896	0	1	BFAF	
Clc1ccc([C@H]2CC=CCNC2)cc1	95584418	IGHNBPCIIFLLHN-NSHDSACASA-N	207.704	2.973	0	1	BFAF	
C=C1CC[C@H](O)[C@H](C)C(=O)C[C@@H]2[C@@H]1CC2(C)C	257519599	QCTCLSCIOSFPNY-LOWDOPEQSA-N	236.355	2.955	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@@]12C	299814537	LRNABWCLYGWJSN-FCJDLAGKSA-N	231.383	2.913	0	1	BFAF	
Cc1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1C	587191984	QBBNNGOAZOAUJD-SNVBAGLBSA-N	231.343	2.672	0	1	BFAF	
N[C@H](N=O)c1ccc(-c2ccc(O)cc2)cc1	957756828	SPLNUZOIPKTBHW-CYBMUJFWSA-N	228.251	2.783	0	1	BFAF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](C)O)N1	962945725	GLVFLNJWOCNVPP-PKFCDNJMSA-N	244.338	2.514	0	1	BFAF	
CC=CC=CCCc1c(O)ccc(O)c1CO	2356723210	BLJACAZTWNHFLF-UHFFFAOYSA-N	234.295	2.655	0	1	BFAF	
Cc1ccc([S@@](=O)c2occc2C=O)cc1	6487906	ZKNFYRJMNKLJCF-INIZCTEOSA-N	234.276	2.567	0	1	BFAF	
COc1cc2oc(C(C)=O)cc2cc1C(C)=O	13437419	QJIYGTAEIRBFIS-UHFFFAOYSA-N	232.235	2.847	0	1	BFAF	biogenic
C/C=C1/[C@@H]2C=C(C)C[C@H]1c1ccc(=O)[nH]c1C2	26579935	PTZJKZAGQUPZHZ-VWTOPHOJSA-N	227.307	2.927	0	1	BFAF	
Clc1cc(Cl)c([C@@]23CNC[C@H]2C3)s1	101168296	CSGVNYGGRSSQOB-ANLVUFKYSA-N	234.151	2.916	0	1	BFAF	
CC[C@H](C)[C@H](C)OCN1C=CN(C)/C1=C/N=O	136851205	RYXHWAQIUHASNX-QGXQPGLJSA-N	239.319	2.679	0	1	BFAF	
C[C@@H](Sc1c[nH]c(=O)c(O)c1)c1ccccc1	206398163	HBUCBADQRTWJBH-SECBINFHSA-N	247.319	2.934	0	1	BFAF	
CCCCC1=C2NC(=N)N[C@@H]3CC[C@H](C[C@H]1C)[C@@H]23	238774214	MGZKFJKGMKJURC-FPQZTECRSA-N	247.386	2.993	0	1	BFAF	
CC(C)[C@@](C)(O)c1nc2cccc(F)c2[nH]1	586891147	SVHLOKNZSCMFIU-GFCCVEGCSA-N	222.263	2.566	0	1	BFAF	
N=c1cc2nc(/C=C/c3ccsc3)[nH]c2c[nH]1	587025402	KBHWRPOOLWYOFT-OWOJBTEDSA-N	242.307	2.602	0	1	BFAF	
N[C@@H](N=O)c1ccc(-c2ccc(O)cc2)cc1	957756829	SPLNUZOIPKTBHW-ZDUSSCGKSA-N	228.251	2.783	0	1	BFAF	
Clc1ccccc1-c1noc2c1CCNCC2	1857639637	YCPQBLMFNGQJCX-UHFFFAOYSA-N	248.713	2.683	0	1	BFAF	
CC=CC=CC=C[C@@H]1C[C@H](O)CC(=O)[C@@H]1C	2356594121	JQUGOGSMHDBLNB-UPJWGTAASA-N	220.312	2.651	0	1	BFAF	
COC(C)(C)C=Cc1cc(O)ccc1O	2356632306	IMZFUPJSYGVBOH-UHFFFAOYSA-N	208.257	2.536	0	1	BFAF	
NC1=CC=C[CH]N1Cc1ccc(Cl)cc1	2356867681	WUNZJJOHJFTYOS-UHFFFAOYSA-N	219.695	2.674	0	1	BFAF	
C/C=C/c1cc(OC)c(OC)c(OC)c1OC	14680050	UZGCZTNAMZBYID-VOTSOKGWSA-N	238.283	2.754	0	1	BFAF	
CC(=O)CCCc1cc2c(cc1C)[C@@H](C)[C@H](O)O2	14694233	HZTYYHWPJHBADJ-IAQYHMDHSA-N	248.322	2.721	0	1	BFAF	biogenic
CC1(C)C[C@H](O)[C@]23CC[C@@H](O)[C@](C)(CC[C@H]12)C3	95909538	BWXJQHJHGMZLBT-AMVBZWJASA-N	238.371	2.725	0	1	BFAF	biogenic,in-vitro
Cc1c(F)ccc2nc(CC3CC3)[nH]c12	587958669	FHWRBFOKMOZNLW-UHFFFAOYSA-N	204.248	2.963	0	1	BFAF	
C/C=C/[C@H]1c2cc(OC)c(OC)cc2CCN1C	1772645843	QSZOJEHHULLHIU-GFUIURDCSA-N	247.338	2.809	0	1	BFAF	
CC(C)(C)C(=O)N1N=CC[C@@H]1C1CCCC1	1857566743	CCHKZGBBNLGJND-LLVKDONJSA-N	222.332	2.809	0	1	BFAF	
CCCCOCc1ccc2n1CCCC2=O	13461805	FQSOULCUJFWKPP-UHFFFAOYSA-N	221.300	2.781	0	1	BFAF	biogenic
COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1O2	26580133	VEWNLDNSIXATRX-DGAVXFQQSA-N	246.306	2.511	0	1	BFAF	
c1cc(-c2ccc3c(c2)[C@@H]2CNC[C@H]3C2)c[nH]1	28527663	AZTFASAELTYTNV-OLZOCXBDSA-N	224.307	2.856	0	1	BFAF	
CCCCOc1ccc([C@@H](C)N(O)C=O)cc1	29569470	BUSUPSAIUKINJN-LLVKDONJSA-N	237.299	2.774	0	1	BFAF	
C[C@H]1Cc2nc3cc4cn[nH]c4cc3nc2[C@@H]1C	64448531	AZQHPOXMLSDBTK-JGVFFNPUSA-N	238.294	2.802	0	1	BFAF	
C[C@@H]1C[C@@H]2CCCC(=O)CCC[C@H](C1)N2	238741142	OPYYHWXSFSCAOZ-ZSBIGDGJSA-N	209.333	2.666	0	1	BFAF	
CC(C)[C@H]1CC[C@@H](C)C2=C1[C@@H](O)[C@](C)(O)CC2	238784931	ZFANDKTXWRNRMY-YIKOMLBNSA-N	238.371	2.891	0	1	BFAF	
Oc1cccc2nc(C3=CCCC3)[nH]c12	586883805	LSFDECXXDLDKOC-UHFFFAOYSA-N	200.241	2.836	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@]3(C)CCC(C(=O)O)=C3[C@@H]2C1	2356387615	APVSRGRSDSBWMN-HFBDOXOYSA-N	248.322	2.803	0	1	BFAF	
CC(=O)O[C@@](C)(CCC=C(C)C)CC(=O)O	2356868598	XDQAADVUQAXNNI-LBPRGKRZSA-N	228.288	2.529	0	1	BFAF	
CC1=C(CC[C@@H](C)O)C(C)(C)[C@@H](O)CC1	14587804	PCHNRWMSYBNCRR-PWSUYJOCSA-N	212.333	2.645	0	1	BFAF	biogenic
CCC[n+]1cccc2c1CC[C@H]1C[C@@H](O)CC[C@H]21	26277056	JBJOLGADJZFNKD-IHRRRGAJSA-N	246.374	2.575	0	1	BFAF	
CCCc1ccccc1[C@H](C)OC1=NCCN1	45301117	CKZOGIXOGHVXNW-NSHDSACASA-N	232.327	2.676	0	1	BFAF	
Clc1cc2c(cn1)[C@H]1C[C@@H]3CC[C@@H]1N3C2	101156061	QNJFYQBMHLYGPU-NGZCFLSTSA-N	220.703	2.569	0	1	BFAF	
CC(C)CC1=NNC(=O)[C@H]1Sc1ccccc1	101879278	QSTWDOHWCRILQE-LBPRGKRZSA-N	248.351	2.679	0	1	BFAF	
CCCN(C)[C@@H]1CCc2c(cccc2OC)C1	169331858	PCKLIPPEWJNYOU-CYBMUJFWSA-N	233.355	2.894	0	1	BFAF	
CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12	210724018	IHLCQCDRRQEAQS-UHFFFAOYSA-N	238.294	2.691	0	1	BFAF	
CC1(C)C[C@H](O)[C@]2(C)CC[C@H](O)[C@@]3(C)C[C@H]3[C@H]12	238763790	CTSRAGZCFQXLJB-LOVAHEPDSA-N	238.371	2.581	0	1	BFAF	
C[C@@H]1C[C@H]2Cc3ncccc3[C@@]3(C1)NCCC[C@H]23	257454712	JJPMUZRSJKMFRK-IATRGZMQSA-N	242.366	2.879	0	1	BFAF	
CC[C@H](C)c1nc2ccc(CCO)cc2[nH]1	587956228	OSORJVUOECFQTP-VIFPVBQESA-N	218.300	2.611	0	1	BFAF	
Cc1noc2cc(-c3ccccc3)n(C)c(=O)c12	1772580637	UHJPAJUXJVHRKX-UHFFFAOYSA-N	240.262	2.502	0	1	BFAF	
CC1=CCC[C@@H]2[C@@H]1[C@@](C)(CO)CCC[C@@]2(C)O	2356577464	FFRRKJRZQUGBSK-KBUPBQIOSA-N	238.371	2.892	0	1	BFAF	
CC1(C)C[C@]23C(=O)CC[C@@H](O)[C@@]2(C)CC[C@H]13	3978574	UHRWOVVMQAASAO-MHWZDGSBSA-N	222.328	2.543	0	3	BFAF	in-vitro
C=C(c1ccccc1OCC)n1ccnc1	28762989	GXCNCZXLVNYQKL-UHFFFAOYSA-N	214.268	2.801	0	1	BFAF	
CC(C)c1cccc(N2CC[C@@H](C(=O)O)C2)c1	1911586101	RSAMYDYPMMPBTI-GFCCVEGCSA-N	233.311	2.721	0	1	BFAF	
C=C(C(=O)O)[C@@H]1CC=C2C=CC(=O)[C@@H](C)[C@]2(C)C1	14619326	KTKOWEBCLFIZQD-HFAKWTLXSA-N	246.306	2.745	0	1	BFAF	biogenic
CC(=O)CC(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C	17187150	QSVQIPXQOCAWHP-WXHSDQCUSA-N	240.343	2.970	0	1	BFAF	
Cc1c(O)ccc2c1CC[C@@]1(C)[C@@H](O)CC[C@@H]21	40656308	JCOCQDKHVDAJMG-AEGPPILISA-N	232.323	2.891	0	1	BFAF	
C[C@H]1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)O1	86021157	VXIZSNZJQJVFMK-NDMJEZRESA-N	210.317	2.949	0	1	BFAF	in-man
CCC[C@H](CC)OCN1C=CN(C)/C1=C/N=O	136851004	UKWOTEFPMKWCEL-AWPPVZKDSA-N	239.319	2.823	0	1	BFAF	
COC(=O)[C@@H](F)c1[nH]c2cc(F)ccc2c1C	587633393	AQOAKBGQUBCYKD-JTQLQIEISA-N	239.221	2.799	0	1	BFAF	
C/C(C(=O)NC1CC1)=C(\C)c1ccc(F)cc1	2001141	MJYSWKKWNFPKJU-KTKRTIGZSA-N	233.286	2.898	0	1	BFAF	
CCCC(=O)c1ncc(-c2ccccn2)o1	13611916	GGPJDZCXDVTNQT-UHFFFAOYSA-N	216.240	2.719	0	1	BFAF	
COc1cccc2c3c([nH]c12)CC[C@@H](N(C)C)C3	169346205	AFJJJSQQXRJXRQ-SNVBAGLBSA-N	244.338	2.595	0	1	BFAF	
O=C1OC[C@H]2CC=C[C@H](c3ccccc3)[C@@H]12	169347720	FSIHQKLPZACRCL-UPJWGTAASA-N	214.264	2.519	0	1	BFAF	
CC[C@@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	587954695	BCXXVORBQBRMJC-HQJQHLMTSA-N	232.287	2.800	0	1	BFAF	
CCc1nc(Cc2c[nH]cn2)c(CC)s1	13802721	HMDJOEKJUSVSEM-UHFFFAOYSA-N	221.329	2.582	0	1	BFAF	
COc1cccc2c1[nH]c1cncc(OC)c12	15119284	XGHOPBXTZOLJBY-UHFFFAOYSA-N	228.251	2.733	0	1	BFAF	biogenic
COc1ccc2c3c1CN(C)CC[C@H]3CCC2	27715956	XDDGQKJQRAVADT-GFCCVEGCSA-N	231.339	2.951	0	1	BFAF	
CC(=O)N(c1ccccc1)[C@H]1CCC[C@@H]1N(C)C	28242543	GGZSBGCCQOBQNS-GJZGRUSLSA-N	246.354	2.522	0	1	BFAF	
CCCN1CC[C@@H]2c3cccc(O)c3CC[C@H]21	28756688	SHOJVFLWKSRVPH-TZMCWYRMSA-N	231.339	2.906	0	1	BFAF	
Oc1c2ccccc2nn1Cc1ccccc1	100651087	ZCINNJXCSMMYIY-UHFFFAOYSA-N	224.263	2.790	0	1	BFAF	in-vivo
C[C@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@]2(C)OC1(C)C	104098094	ZADVMZUKWWMSLQ-WBSYEDSCSA-N	238.371	2.987	0	1	BFAF	in-man
CC[C@H](O)c1nc2c(Cl)cnc(Cl)c2[nH]1	586900392	IUJHPBMVLBKARK-YFKPBYRVSA-N	246.097	2.708	0	1	BFAF	
CO[C@@H]1[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@@H]13)C2(C)C	2356423227	RGHDGQIPRCRPAR-WBSYEDSCSA-N	238.371	2.845	0	1	BFAF	
CC(=O)c1c(O)cc2cccc(O)c2c1C	2356789214	DAFKLOWAJHMITK-UHFFFAOYSA-N	216.236	2.762	0	1	BFAF	
C1=C(c2cc3ncccc3o2)C2CCN1CC2	13757456	NXIFJNOHOQFSCE-UHFFFAOYSA-N	226.279	2.894	0	1	BFAF	
CCCN1CCN=C1c1cc2ccc(O)cc2o1	64599944	PLKLIKSPZRZTSZ-UHFFFAOYSA-N	244.294	2.611	0	1	BFAF	
C1=NCC(CCCCCN2CCCCC2)=N1	100577119	KRAUCIIJKPUABR-UHFFFAOYSA-N	221.348	2.516	0	1	BFAF	
c1cc(-c2cnc3cccnn23)c2cccnc2c1	61896333	GVPCHPNDQPEYQF-UHFFFAOYSA-N	246.273	2.945	0	3	BFAF	
CN1[C@H]2CCC[C@@H]1C=C(c1cccnc1)C2	17479	APTUPAXCDMGCCK-KGLIPLIRSA-N	214.312	2.722	0	1	BFAF	
COCCNc1ccnc(-c2ccccc2C)n1	4239271	LYIBYEYPCCNWRK-UHFFFAOYSA-N	243.310	2.510	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CO	15147899	SYSFCGLKPBVTDQ-COMQUAJESA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
C[C@H]1CC[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@H]21	34182459	OCZFSWYTAUQJDV-OPDFLTKYSA-N	238.371	2.606	0	1	BFAF	
O=C(/C=C1/CCc2ccc(Cl)cc21)NC1CC1	36468257	WBUTUGOZDDIVDJ-YFHOEESVSA-N	247.725	2.948	0	1	BFAF	
CC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1	202710635	HRXUUBWDAGEVHF-UHFFFAOYSA-N	237.262	2.828	0	1	BFAF	
N[C@H](N=O)c1c[nH]c2ccc(Cl)cc12	957601980	VKOPMKGSRSMODN-SECBINFHSA-N	209.636	2.545	0	1	BFAF	
Cc1cccc(-c2nc(C[C@H](N)N=O)c(C)o2)c1	957756908	ZVHNUNBVSJLGHR-GFCCVEGCSA-N	245.282	2.552	0	1	BFAF	
CC(C)CCn1c(O)c(N)c2ccccc21	958577628	ZICUUYJEPJUTQY-UHFFFAOYSA-N	218.300	2.975	0	1	BFAF	
CCO[P@]1(=O)CC(C)=C(Cl)[C@@H](OC)C1	1637788	WGVMXIBAKCESJT-RMLUDKJBSA-N	238.651	2.842	0	1	BFAF	
C[C@H]1C=C(c2ccc(Cl)cc2)C(=O)O1	3654493	YCKDNOINSAWPPK-ZETCQYMHSA-N	208.644	2.669	0	1	BFAF	
CC(C)=CC(=O)c1cc([C@@H](C)O)ccc1O	6037079	BOYBLQMJGIRKDQ-SECBINFHSA-N	220.268	2.594	0	1	BFAF	biogenic,in-vitro
CC1=C(C(=O)O)C(=O)[C@]2(C)CC[C@@H]3[C@H](C)CC[C@@]132	14509415	GVYNVUXBKXMTRQ-RZYIQFRBSA-N	248.322	2.803	0	1	BFAF	biogenic
CCC(=O)[C@H](C)C1=C(C)C(=O)[C@H](C)[C@@H](CC)O1	14696669	GOXHJNFKZUOQCT-YGOYTEALSA-N	238.327	2.890	0	1	BFAF	biogenic
COc1ccc2c3c1CCN(C)C[C@@H]3CCC2	27726649	VYZKHVKGWWRBAL-LBPRGKRZSA-N	231.339	2.603	0	1	BFAF	
COc1ccc2c(c1)CCC1=C2CC[C@H](O)C1	29483252	ZHLMTPNGTSPWEF-LBPRGKRZSA-N	230.307	2.940	0	1	BFAF	
COC(=O)c1cccc2c1C=CC(C)(C)O2	103176106	LSPJWTLKSRRFNV-UHFFFAOYSA-N	218.252	2.657	0	1	BFAF	
COc1ccc2c(c1)CC[C@]1(CCCN1C)C2	169315960	XMHFWKAXFHSIQD-OAHLLOKOSA-N	231.339	2.648	0	1	BFAF	
C[C@@H]1[C@H]2Cc3ccccc3[C@@]1(C)CCN2C	169339752	UPIJLTVYDZRYJT-DFBGVHRSSA-N	215.340	2.841	0	1	BFAF	
C[n+]1ccc2ccnc3c2c1-c1ccccc1-3	216702647	KCGBKFFIFLQGRF-UHFFFAOYSA-N	219.267	2.707	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@@H](O)C[C@@]2(C)[C@@H](O)[C@H]31	254003304	VWMGBHVRRNKOAE-ZVOPPPCBSA-N	238.371	2.581	0	1	BFAF	
COc1cc2c(cc1Cl)C[C@@H]1CCCN[C@H]21	299830147	NEDNGBQPORHEBS-SDBXPKJASA-N	237.730	2.945	0	1	BFAF	
c1cc2c3c(cc(C4=NCCS4)nc3c1)CC2	587361700	ZEFFVCVJYBPMOJ-UHFFFAOYSA-N	240.331	2.827	0	1	BFAF	
CC[C@@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1	587954696	BCXXVORBQBRMJC-RDDDGLTNSA-N	232.287	2.800	0	1	BFAF	
CC(=O)CCC=C1C[C@@H](C=C(C)C)OC1=O	2356516706	HAGKOYTUAINBNR-GFCCVEGCSA-N	222.284	2.564	0	1	BFAF	
CC1(C)[C@H]2CC=C(C=O)[C@@]3(C2)[C@@H](C=O)CC[C@@H]13	14558260	XQWUAEQYVUOQOR-QJZXMWHDSA-N	232.323	2.773	0	1	BFAF	biogenic
Cc1cc2c(c3c1CC(C)(C)C3)COC2=O	14615126	IBOXFXCETGSBIW-UHFFFAOYSA-N	216.280	2.790	0	1	BFAF	biogenic
O=C(/C=C1\CCc2ccc(F)cc21)NCC1CC1	27325630	VGQZDGSTUUWZLN-KPKJPENVSA-N	245.297	2.682	0	1	BFAF	
Nc1cc(-c2nc3cccc(O)c3[nH]2)ccc1F	587139813	YDZVPODZDYECGI-UHFFFAOYSA-N	243.241	2.657	0	1	BFAF	
CC[C@H](O)Cn1nc2cc1Oc1ccc(F)cc1-2	587875060	MNLDUICUYGIETP-VIFPVBQESA-N	248.257	2.566	0	1	BFAF	
Cc1ccoc1[C@]1(C)NCCc2c(C)ccnc21	963072892	OWDBUXVYNQAEEU-OAHLLOKOSA-N	242.322	2.701	0	1	BFAF	
CCOc1cc2c(cc1F)N(O)C(C)(C)[N+]2=O	1857570503	XITZCFUDHPYGEG-UHFFFAOYSA-N	241.242	2.580	0	1	BFAF	
Oc1cnc2ccccc2c1CN1CCCC1	1857649422	RTUHNOXRMYKHCR-UHFFFAOYSA-N	228.295	2.536	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]1C=C(CO)CC[C@H]2O	2356511784	IDZQOYPXKXBZAG-YJNKXOJESA-N	238.371	2.748	0	1	BFAF	
CN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1	2009137	FUQHSNMJHLBXKF-VOTSOKGWSA-N	243.228	2.807	0	1	BFAF	
C/C=C/c1c(OC)cc(OC)cc1OC	14680065	YBMDBMYALSGVCL-AATRIKPKSA-N	208.257	2.746	0	1	BFAF	
CCN1CCC[C@@H]2c3cc(O)cc(O)c3CC[C@H]21	29565329	SPRTWGPZKJDLPD-BXUZGUMPSA-N	247.338	2.612	0	1	BFAF	
C[C@H]1CCCCCCCN2C=[N+](CCC2)C1	49547650	RRYZSUIWWKSJNC-AWEZNQCLSA-N	223.384	2.723	0	1	BFAF	
CC(C)Oc1ccc2nc([C@@H]3O[C@H]3C)[nH]c2c1	586916855	HGDYTCUQCLQLST-QPUJVOFHSA-N	232.283	2.810	0	1	BFAF	
CNc1c(F)cccc1-c1nc2cccnc2[nH]1	587136356	YSOKQXXKMULTGN-UHFFFAOYSA-N	242.257	2.806	0	1	BFAF	
Fc1cnc2[nH]c(C=C3CCC3)nc2c1	587964802	IDIZLJNGVSPCQX-UHFFFAOYSA-N	203.220	2.664	0	1	BFAF	
CC1=CC(=O)c2c(C)ccc3c(C)c(=O)oc-3c21	14619518	IWFJWRWYZSDFRP-UHFFFAOYSA-N	240.258	2.961	0	1	BFAF	biogenic
CSc1ccc(Cc2c(C)n[nH]c2O)cc1	27305130	FGVGPZZRNLQCPJ-UHFFFAOYSA-N	234.324	2.736	0	1	BFAF	
Cc1nc(N[C@H]2C[C@H]3CC[C@@H]2C3)c2cc[nH]c2n1	27895298	LJOYPUGKYGHJAF-UMNHJUIQSA-N	242.326	2.867	0	1	BFAF	
Fc1ccc2c(c1)CC[C@H]1N=C3SCCN3[C@@H]21	28768693	XPMOYSXNDWOZFZ-NEPJUHHUSA-N	248.326	2.600	0	1	BFAF	
COc1ccc(-c2cccnc2)cc1OC	29234745	JYVKXDCHFCZGTQ-UHFFFAOYSA-N	215.252	2.766	0	1	BFAF	
CCC1(CC)C(=O)N(c2ccccc2C)C1=O	45245850	QNAKQLGCEYBHNC-UHFFFAOYSA-N	231.295	2.675	0	1	BFAF	in-vivo
C[C@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]13)[C@]42C	238744440	TUWGUUUUJAXUPF-AMTOUNBVSA-N	220.356	2.933	0	1	BFAF	
N[C@H]1[C@H]2C=CC[C@@H]1c1ccc(Cl)cc1C2	5844442	OQLNPMOPMXMVAH-CKLFPEKLSA-N	219.715	2.883	0	1	BFAF	
CC(C)[C@H]1CC[C@]2(C)O[C@@]3(C)CC[C@@H]2[C@@H]1[C@@H]3O	15153754	LQADJDMOWVWNOO-JNWWKETESA-N	238.371	2.987	0	1	BFAF	
CC(C)(C)N[C@H]1[C@@H]2CC[C@](C)([C@H]1O)C2(C)C	31900233	VBIQESJEDOKYKY-AYGWYOGXSA-N	225.376	2.560	0	1	BFAF	
C[C@H]1CCC[C@@H]2C[C@@H]3OCC4=C3[C@H](OC4)[C@]12C	34485472	JNYRITJWRVKNCG-BLSOKALJSA-N	234.339	2.927	0	1	BFAF	
Cc1cc(=O)n(-c2ccccc2)n1C(C)(C)C	72107092	HHVHUBPMXSAVSV-UHFFFAOYSA-N	230.311	2.702	0	1	BFAF	
C[C@@]12N[C@H](Cc3ccccc31)C1=CC=CC[C@H]12	100659900	USXOTRZXKQMLJY-BZUAXINKSA-N	223.319	2.932	0	1	BFAF	
c1ccc(C2=NO[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1	102960758	YNXKJMWFYRXAGQ-BYNQJWBRSA-N	213.280	2.836	0	1	BFAF	
Cc1ccc([C@H]2CN3CCCC[C@H]3CO2)cc1	299847028	QAGSXAMKOPRXAJ-LSDHHAIUSA-N	231.339	2.921	0	1	BFAF	
Nc1cccnc1-c1cc2c3c(cccc3n1)CC2	587211517	RYYXPQLPRKNIFU-UHFFFAOYSA-N	247.301	2.978	0	1	BFAF	
Cc1ccccc1-c1nnn2cnc3[nH]ccc3c12	1772585501	QLRIIOQWAAOMRD-UHFFFAOYSA-N	249.277	2.581	0	1	BFAF	
CCCCCC=CC=C[C@H](O)[C@@H]1CCC(=O)O1	2356387134	JAXIPKBMDKIIGO-STQMWFEESA-N	238.327	2.746	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)(C)O)CC[C@H](C)[C@@]2(O)CC1	13381564	VGRWYWYZXQMAGQ-JLNYLFASSA-N	238.371	2.891	0	1	BFAF	biogenic
CCCN1CC[C@H]2c3c(O)cccc3CC[C@@H]21	13826511	UVOXCNCVSFLEPX-OLZOCXBDSA-N	231.339	2.906	0	1	BFAF	
CC1=CC[C@@]2(O)[C@@H](C1=O)[C@@H](C(C)C)CC[C@H]2C	14918427	DTKVUCPWKSABCL-BHPKHCPMSA-N	236.355	2.955	0	1	BFAF	biogenic
C=C=CN1CCN(c2cccc(Cl)c2)CC1	28764218	QXVHGPJFOJSGOR-UHFFFAOYSA-N	234.730	2.761	0	1	BFAF	
CC(=O)CC/C=C1\C[C@@H](C=C(C)C)OC1=O	49525733	HAGKOYTUAINBNR-IGEMTJHASA-N	222.284	2.564	0	1	BFAF	
CC(=O)c1ccc2c(c1)C[C@H](C(C)C)O2	103286191	SJSDMYAMNRSNKZ-CYBMUJFWSA-N	204.269	2.849	0	1	BFAF	
CCN[C@H]1[C@H]2[C@@H]3[C@@H]4C[C@@H]5[C@H]3C[C@H]2[C@@H]5[C@@]41CC	195097777	JWACGMVTPOOTMF-LLVBCIRKSA-N	217.356	2.523	0	1	BFAF	
Cc1sc2c(c1[C@H]1C=CNC=N1)CCC2	218949687	PMTFPMMPUOBULE-SNVBAGLBSA-N	218.325	2.732	0	1	BFAF	
C/C=C(\C)COC(=O)/C=C/c1ccc(O)cc1	238753404	NPPRPBQYEVGVFU-GMHDTIIUSA-N	232.279	2.915	0	1	BFAF	
Cc1coc2c1C(=O)[C@]1(C)[C@@H](C)CC[C@@H](O)[C@@H]1C2	523041604	AWXFUOOEZGQLHT-KIGUWFBYSA-N	248.322	2.740	0	1	BFAF	biogenic
CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@@H](O)C2	2356474819	FBRINWQEZPARPI-OBJOEFQTSA-N	224.344	2.885	0	1	BFAF	
COC(=O)[C@@H]1CCC[C@H]2CC(C(C)=O)=C[C@@]21C	14408044	QQRBZSIGFUEPRF-OBJOEFQTSA-N	236.311	2.501	0	1	BFAF	biogenic
O=C(O)c1nc2cc(Cl)c3cccnc3c2o1	28244118	BDVWIYDBTBVPJX-UHFFFAOYSA-N	248.625	2.728	0	1	BFAF	
COCc1ccccc1[C@@H]1CCc2nc[nH]c2C1	40394440	PAMROTRMNXQKOE-LLVKDONJSA-N	242.322	2.829	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1C[C@@H](O)CC[C@H]21	40677015	JBJOLGADJZFNKD-RDBSUJKOSA-N	246.374	2.575	0	1	BFAF	
C[C@H](NC(C)(C)C)C(=O)c1ccc(F)c(F)c1	45302416	JRPWUGPYWRJACU-QMMMGPOBSA-N	241.281	2.924	0	1	BFAF	
N[C@H](N=O)c1c[nH]c2cccc(Cl)c12	957595117	OIVATQUWBYSOMU-SECBINFHSA-N	209.636	2.545	0	1	BFAF	
CS(C)(=O)=N[C@H]1CC[C@@H](C(F)(F)F)CC1	1772594035	DDVAIRSECUGVIR-OCAPTIKFSA-N	243.294	2.835	0	1	BFAF	
CC/C=C\Cc1cc(C(=O)OC)c(N)s1	1772625202	BVBGSTFEJSISGY-PLNGDYQASA-N	225.313	2.626	0	1	BFAF	
CCc1cc(C2CCCCC2)n(O)c(=O)c1	1857576764	PRMDLTWICDZNJC-UHFFFAOYSA-N	221.300	2.696	0	1	BFAF	
O=C1N[C@@H](c2ccccn2)Sc2ccccc21	1857605211	VNQMNFPFGNMBPO-CYBMUJFWSA-N	242.303	2.616	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2CC[C@@]1(C)[C@@H](O)C2)CO	2356506555	FUCSWNUANQRDFQ-XQLPTFJDSA-N	238.371	2.892	0	1	BFAF	
CO[C@@H](C)c1ccc([C@]2(C)CCC(=O)O2)o1	2356727772	SZAQCFVTESNVSH-UFBFGSQYSA-N	224.256	2.539	0	1	BFAF	
S=C(CNC1CCCCC1)N1CCCCC1	13611638	AGGFRZKENRYQQU-UHFFFAOYSA-N	240.416	2.722	0	1	BFAF	
CCCc1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3	29250945	GBCCZDPDHDMIIM-UHFFFAOYSA-N	243.310	2.745	0	1	BFAF	
CC1=CC[C@H]([C@@H](C)CCN2CCNCC2)CC1	49068752	DUWYIKDUIZWFBL-GJZGRUSLSA-N	236.403	2.664	0	1	BFAF	
Cc1ccc(-n2cnc3ccc(O)nc32)c(C)c1	118266857	YFQJQSNJABZPRZ-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
Clc1cc2nc(C3CCC3)[nH]c2cn1	586884008	JJNYMQFDGJHDAS-UHFFFAOYSA-N	207.664	2.879	0	1	BFAF	
C[C@H]1CCC(=O)[C@@]2(C)CC[C@@H](C)C[C@@]12O	2356711919	GAFZRJDKDAIBQD-LYIQGSDWSA-N	210.317	2.543	0	1	BFAF	
CC1(C)C[C@H]2[C@H](C=C3CO[C@H](O)[C@]34C[C@]24C)C1	40413416	JPFARHSFKRUMBZ-ONAWRNRTSA-N	234.339	2.724	0	1	BFAF	
NC(=O)Cc1ccccc1-c1c(F)cccc1F	205720319	MBSNCNNCXBQLDQ-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
C[C@H](F)[C@@H](N)c1nc2cccc(Cl)c2[nH]1	587126093	VSAGDBQXSOUWNW-YLWLKBPMSA-N	227.670	2.574	0	1	BFAF	
Cc1ccccc1CN1C=C[C](N(C)C)C=C1	2356855610	ZFCGUUCGQFCBHU-UHFFFAOYSA-N	227.331	2.932	0	1	BFAF	
CNc1nnc(-c2cccc3ccccc23)o1	169345953	MJHPOHMOSWCARL-UHFFFAOYSA-N	225.251	2.932	0	3	BFAF	
CC(=O)c1ccc2oc(C(C)=O)cc2c1	1766970	QKNUQRIOFNUYQG-UHFFFAOYSA-N	202.209	2.838	0	1	BFAF	biogenic
Cc1ccnc2[nH]c(-c3ccccc3)cc(=O)c12	5504160	WGNSONPPEWQOMA-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
CCN(CC)[C@@H]1CCc2c(ccc(C)c2O)C1	5848740	PXIYNSZCCXGPJE-CYBMUJFWSA-N	233.355	2.900	0	1	BFAF	
O=C1C[C@H]2c3ccc4ccccc4c3O[C@@H]2O1	98085248	CQZXWMWTIYBXIL-FZMZJTMJSA-N	226.231	2.589	0	1	BFAF	
N#Cc1c[nH]c2nccc(-c3cccc(O)c3)c12	142854542	NSJGIUMXLVXGPU-UHFFFAOYSA-N	235.246	2.807	0	1	BFAF	
Nc1nc[nH]c2ncc(Sc3cccs3)c1-2	653775386	AQDADBVEZQGHTL-UHFFFAOYSA-N	248.336	2.704	0	1	BFAF	
CC=CC=C(C)C(=O)N[C@H](COC)CC(C)C	2356325254	WSESSQIXKXIOEF-ZDUSSCGKSA-N	239.359	2.686	0	1	BFAF	
CC(CO)=C1CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@@H]13	2356456207	VCKNBYBUMOAFMV-YYFQZIEXSA-N	236.355	2.502	0	1	BFAF	
CC1(C)C[C@@H]2[C@H](O)C(CO)=C3CC[C@@]3(C)[C@H]2C1	2356740888	RUUOBEGCMNHGCW-SUDQYYNISA-N	236.355	2.502	0	1	BFAF	
O=C(OCc1ccccc1)n1cccc1	1614264	PCEHCHSVPXQJFP-UHFFFAOYSA-N	201.225	2.673	0	1	BFAF	
Cc1ccc(-n2c(O)c(C)c(O)nc2=S)cc1	5818354	IHHXOXVIQZGWKM-UHFFFAOYSA-N	248.307	2.630	0	1	BFAF	
O=C(O)c1cc(O)c2c(c1)OC1(CCCCC1)C2	26639741	JIAASVHVFXSNHB-UHFFFAOYSA-N	248.278	2.728	0	1	BFAF	
CC(=O)OC[C@@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1	100050361	TXFBASMXWNIAGS-QNWJLWSRSA-N	208.301	2.622	0	1	BFAF	
COC(=O)C1=C(c2ccccc2)C[C@H]2CC[C@H]1O2	101024796	WCWYQSBRFMSVQV-DGCLKSJQSA-N	244.290	2.565	0	1	BFAF	
Cc1cc2c(n1C)CCc1ccc(=O)sc1-2	101026656	ROSUFWFEKDBBGW-UHFFFAOYSA-N	231.320	2.521	0	1	BFAF	
CN1[C@@H]2CC[C@@H]1[C@@H](c1ccc(F)cc1)C2	169320707	BXGWCQDCHRVLAK-JHJVBQTASA-N	205.276	2.776	0	1	BFAF	
Nc1ccc(-c2ccc([N+](=O)[O-])s2)cc1	217870068	PHKKAUOPVFMQJC-UHFFFAOYSA-N	220.253	2.906	0	1	BFAF	
O=C1CCC[C@H](c2nc3cnccc3[nH]2)CC1	586887478	UKHRPQKCTRJZCY-VIFPVBQESA-N	229.283	2.575	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1	586889089	KWTPUKKJPIJBGW-XPTSAGLGSA-N	243.310	2.565	0	1	BFAF	
O=c1oc(-n2cc(Cl)cn2)cc2ccccc12	653785918	NJEPQFBDKWQKIL-UHFFFAOYSA-N	246.653	2.632	0	1	BFAF	
CN1C[C@@]2(c3cccc(O)c3)CCC[C@@H]1C2	2000991	CACUHZYZLDBFQG-TZMCWYRMSA-N	217.312	2.518	0	1	BFAF	
Cc1cccc2c1C=C(C[C@@H]1CN=CN1)CC2	13862060	RCVCPNOVWAAUOC-CQSZACIVSA-N	226.323	2.715	0	1	BFAF	
CCc1ccc(-c2nc3cc(N)ccc3[nH]2)nc1	27845617	VAFCWPUGYHLQCI-UHFFFAOYSA-N	238.294	2.770	0	1	BFAF	
FC(F)Oc1ccc2c(c1)C[C@H]1CNC[C@@H]2C1	28472259	NUQOQQYEHCYTBU-SCZZXKLOSA-N	239.265	2.537	0	1	BFAF	
COc1cc2c(cc1OC)[C@@H]1CC[C@@H]2N1N=O	101732687	ARPRXARBVQZNJI-UWVGGRQHSA-N	234.255	2.577	0	1	BFAF	
C[C@@H](O)CCCCCCC/C=C/C=C\C(N)=O	377829997	HQHCQAKGZLESDF-KZSOIPFJSA-N	239.359	2.696	0	1	BFAF	
CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C(=O)CC1	4030021	RSDQBPGKMDFRHH-MJVIGCOGSA-N	248.322	2.644	0	1	BFAF	biogenic,in-vitro
C1=C(c2ccco2)N2CCN=C2c2ccccc21	13740232	MPHXEVVWESQAFK-UHFFFAOYSA-N	236.274	2.854	0	1	BFAF	
N#[N+]c1ccc2cccc(S(=O)(=O)O)c2c1	26285570	ABQHTWPSSABLIQ-UHFFFAOYSA-O	235.244	2.571	0	1	BFAF	in-vivo
CN1CCc2c(c3cc(Cl)ccc3n2C)C1	27719092	YKOWKUQMUIUWOK-UHFFFAOYSA-N	234.730	2.820	0	1	BFAF	
CCCCNCC1=CC(C)(C)N([O])C1(C)C	102061198	JEPAVNQQPURENG-UHFFFAOYSA-N	225.356	2.521	0	1	BFAF	
NC(=O)Cc1ccccc1-c1cc(F)ccc1F	118797699	PYGXMZJMUJMTRB-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
CC(C)C[C@H](O)c1nc2cc(F)cc(F)c2[nH]1	586901528	RIXNAJYFZMVOEQ-JTQLQIEISA-N	240.253	2.921	0	1	BFAF	
C[C@H](F)[C@H](N)c1nc2cccc(Cl)c2[nH]1	587126091	VSAGDBQXSOUWNW-XNCJUZBTSA-N	227.670	2.574	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@]2(O)CCC(CO)=C[C@@H]12	2356387101	HMMDOUGSSLPXAX-CYUUQNCZSA-N	238.371	2.748	0	1	BFAF	
CCCCCC=CC=CC(=O)N1C=C[C@@H](O)CC1	2356461766	SSQWFLRNRWVASI-CQSZACIVSA-N	249.354	2.786	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@@H](O)[C@@H]31	1626263	VWMGBHVRRNKOAE-ZVUGODGUSA-N	238.371	2.581	0	1	BFAF	
CC(=O)N1CC(C)(C)c2c(C)c(O)c(C)c(C)c21	1643536	XEZMKIIIVUIQCL-UHFFFAOYSA-N	247.338	2.962	0	1	BFAF	
CC1=CC(=O)CC(C)(C)[C@]12C=CC(=O)CC2	14585404	GLVZMJJTCUYPNA-AWEZNQCLSA-N	218.296	2.837	0	1	BFAF	biogenic
CC(=O)CC[C@@H]1[C@H](C)C[C@@H](O)CC1(C)C	14587730	GZFXCGAUFAQBLT-YUSALJHKSA-N	212.333	2.789	0	1	BFAF	biogenic
C[C@@H]1Oc2c(c(=O)n(C)c3ccccc23)C1(C)C	14617996	JSJSVEVELHLLJW-VIFPVBQESA-N	243.306	2.597	0	1	BFAF	biogenic
O=C(O)[C@@H]1C=CC(C(F)(F)C(F)(F)F)=CC1	26247831	MMTDSTIAVDZLSH-RXMQYKEDSA-N	242.143	2.771	0	1	BFAF	
CCN(CC)[C@@H]1CCc2ccccc2C1	27854587	HKKFAEDOOMPSFN-CQSZACIVSA-N	203.329	2.886	0	1	BFAF	
CC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1	35090550	IYNBYQDXVFMDGE-KBPBESRZSA-N	217.312	2.501	0	1	BFAF	in-vivo
NC1CCC(N[C@H]2C[C@H]2c2ccccc2F)CC1	149643731	XYAZRGFFUVDRRE-DIQYOTHFSA-N	248.345	2.541	0	1	BFAF	
COc1ccc(F)cc1[C@H]1C[C@H]1CNCC1CC1	1772627722	NMXXDUVHNZCKGY-AAEUAGOBSA-N	249.329	2.937	0	1	BFAF	
C[C@H](O)[C@@H](Oc1ccccc1O)c1ccccc1	2356284191	RNGCFDHRKNSIIK-XHDPSFHLSA-N	244.290	2.893	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)CC(=O)C[C@@]2(C)O1	14616541	VXIZSNZJQJVFMK-SUZMYJTESA-N	210.317	2.949	0	1	BFAF	endogenous,in-man
CCCCCC[C@H]([C@H](C)O)n1ccnc1	26166616	NEUJWNIPOOBBPG-NWDGAFQWSA-N	210.321	2.775	0	1	BFAF	
CCC[C@@H](CC)OCN1C=CN(C)/C1=C/N=O	136850960	UKWOTEFPMKWCEL-ZGSOTFDTSA-N	239.319	2.823	0	1	BFAF	
C[C@@H]1C(=O)S[C@](C)(C2CCCCC2)C1=O	169719313	NSUIPHZSGVWZPD-QPUJVOFHSA-N	226.341	2.804	0	1	BFAF	
O=C(O)CCCCCCC[C@@H]1CCC(=O)O1	205108730	SAHSZEZNXHBRJR-SNVBAGLBSA-N	228.288	2.507	0	1	BFAF	
O=C1C[C@H](Sc2cccc3ccccc23)N1	299855660	BEMMBNRTCXRFTF-ZDUSSCGKSA-N	229.304	2.778	0	1	BFAF	
CC(C)[C@](C)(O)c1nc2ccc(F)cc2[nH]1	586886641	GHSUPJILKCIUCO-LBPRGKRZSA-N	222.263	2.566	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2cc(F)cnc2[nH]1	586910556	IJXDQZTUOUVHLS-MWLCHTKSSA-N	249.289	2.770	0	1	BFAF	
COc1ccccc1/C=C/c1cncnc1	653766985	XLXGRANOPBCQJU-VOTSOKGWSA-N	212.252	2.656	0	1	BFAF	
CCC/C(NO)=C1\C=Nc2ccccc21	104035632	LMXKLRFPJPXDTB-BENRWUELSA-N	202.257	2.893	0	3	BFAF	
CC(C)(C)N[C@@H]1[C@@H]2CC[C@](C)([C@H]1O)C2(C)C	31900238	VBIQESJEDOKYKY-BBGACYKPSA-N	225.376	2.560	0	1	BFAF	
Cc1cc2c(cc1O)[C@H](C)[C@H](O)C=CC(C)(C)O2	34507781	BMFLYLUFZRFANY-CMPLNLGQSA-N	248.322	2.892	0	1	BFAF	
CNC12C[C@@H]3CC(C[C@H](C1)c1ccccc13)O2	45337906	WNODDIJNLNFNKE-QOARYFPJSA-N	229.323	2.756	0	1	BFAF	
COc1ccc(Nc2cc(C)oc(=O)c2)cc1	71296515	FPZAVUNQMYONDB-UHFFFAOYSA-N	231.251	2.700	0	1	BFAF	
Nc1cccc(-c2ccnc(-c3ccncc3)n2)c1	101184864	ZKSOQCNJFNHRHZ-UHFFFAOYSA-N	248.289	2.788	0	1	BFAF	
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC=C2[C@@]34C1	257637380	XZMYQBCMWCZCML-FIRUKDTASA-N	245.366	2.786	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)O)CO	2356658075	DZAZSBAAFSSMAB-BYNSBNAKSA-N	238.371	2.892	0	1	BFAF	
O=C(O)c1ccc2c(c1)C=CC(=CCl)CO2	2356735978	WMKQQACRJZCVTG-UHFFFAOYSA-N	236.654	2.913	0	1	BFAF	
CC(=O)Nc1ccc(/C=C/COC(C)=O)cc1C	203456056	SVJHEUDUBWYHTK-SNAWJCMRSA-N	247.294	2.530	0	3	BFAF	
CCCC[C@@H]1[C@@H](O)CCC[C@]12CCCCN2	5821945	YJEQGBHTTODACM-HZSPNIEDSA-N	225.376	2.850	0	1	BFAF	
C=C1CC[C@H](O)[C@]2(C)CC[C@@H](C(=O)C(C)C)[C@H]12	14496008	OQRJYRPZPATIRR-OSFYFWSMSA-N	236.355	2.955	0	1	BFAF	biogenic
CC1=CCC[C@]2(C)CC[C@@](O)(C(C)C)[C@@H](O)[C@@H]12	15208214	PRGGSRMRYZVZGC-LXTVHRRPSA-N	238.371	2.891	0	1	BFAF	
COc1ccc2c3c1CN(C)C[C@H]3CCC2	27715944	XWAAUAPDZAXCHQ-LLVKDONJSA-N	217.312	2.561	0	1	BFAF	
CSC1=Nc2cc(O)c(Cl)cc2CCN1	45302879	CHHIYKAACQWLLD-UHFFFAOYSA-N	242.731	2.542	0	1	BFAF	
CCOC(=O)C[C@@H](c1ccccc1)[C@@H](C)N=O	169690126	ZFNVLHCLZAHKKO-ZYHUDNBSSA-N	235.283	2.878	0	1	BFAF	
C/C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](C)C1=O	169719287	DGOVNMKGWUFZFR-CFXUOXQYSA-N	224.325	2.746	0	1	BFAF	
COc1cc2c(cc1Cl)C[C@@H]1CCCN[C@@H]21	299830143	NEDNGBQPORHEBS-ISVAXAHUSA-N	237.730	2.945	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cncc(OC)c2[nH]1	586887719	HMXADUSVOGETBW-AMIZOPFISA-N	231.299	2.870	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1	586892783	WMXTXMZLOXQDRT-KBUNVGBDSA-N	236.706	2.862	0	1	BFAF	
CC[C@H](O)c1nc2ccc(SC)cc2[nH]1	586901321	SIBIHMXEJBQPFD-JTQLQIEISA-N	222.313	2.728	0	1	BFAF	
CC1=CC(=C2NC=CC=C2O)C=C(C)[C]1O	2356305148	OWODPKAQVQKOEV-UHFFFAOYSA-N	216.260	2.610	0	1	BFAF	
CN1c2ccccc2[C@]23CCCC[C@@]12NCC3	2356404882	ZUFLZTBSMIZYAQ-HUUCEWRRSA-N	228.339	2.638	0	1	BFAF	
CO[C@H]1[C@H]2CC[C@H](O)[C@@]2(C)CC[C@H]2[C@@H]1C2(C)C	2356423225	RGHDGQIPRCRPAR-AQEIEYEASA-N	238.371	2.845	0	1	BFAF	
OC1=CN=C(C2CC2)Oc2ccccc21	1630151	SCLIIBDWIGVZNQ-UHFFFAOYSA-N	201.225	2.744	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H]3[C@H]1CC[C@@](C)(OC2(C)C)[C@@H]3O	15153757	LEPZJUGXJVBWGQ-AOWZIMASSA-N	238.371	2.987	0	1	BFAF	biogenic
COC(=O)/C=C\[C@H]1c2ccccc2[C@@H](OC)[C@H]1C	195472128	CMKYBWAWPBVWFW-KQOTUFEASA-N	246.306	2.837	0	1	BFAF	
CC(C)=C1C[C@@]2(C)[C@H]3CC[C@@]2(O)[C@](C)(O)C[C@@H]13	2356348022	VZVWOGAKPLHXNY-LXFSFDBISA-N	236.355	2.645	0	1	BFAF	
CCC(=O)CC[C@@H]1CC=C(C(=O)OC)CC1	2356383075	ZBXYEAGDLJTEFW-SNVBAGLBSA-N	224.300	2.645	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H](C)CC(=O)CC1(C)C	2356485652	OMYHSWJSASVYAR-JOYOIKCWSA-N	210.317	2.997	0	1	BFAF	
CC1=C[C@@H]2[C@H](C[C@@H]1O)C(C)=CC[C@H]2[C@H](C)CO	2356526758	KOEIHUNMBSXMQT-SEBNEYGDSA-N	236.355	2.524	0	1	BFAF	
CN[C@@]12CCCC[C@@H]1Cc1ccsc12	13825970	ONFGTFYUJIVLQQ-PWSUYJOCSA-N	207.342	2.909	0	1	BFAF	
O=C1Nc2cc(F)ccc2/C1=C/c1ccc[nH]1	34416496	JFVLMRYDPQMRFA-XFFZJAGNSA-N	228.226	2.647	0	1	BFAF	
O=C1C[C@H](c2ccccc2)N=C2CCCCCN12	103280419	OZZJOAHSJVVIKF-CYBMUJFWSA-N	242.322	2.933	0	1	BFAF	
C[C@H]1[C@H](NCc2cncn2C)C[C@@H]2C[C@H]1C2(C)C	371557201	QIMJSIYIVZGWHH-ZMJPVWNMSA-N	247.386	2.580	0	1	BFAF	
CCCC1(c2nc3cc(=N)[nH]cc3[nH]2)CCC1	586877704	KXFQNDJJNFFPOR-UHFFFAOYSA-N	230.315	2.592	0	1	BFAF	
COC(=O)n1nc2cc1Oc1ccc(F)cc1-2	587875534	QEBIDGUUTHCEHH-UHFFFAOYSA-N	234.186	2.409	0	1	BFAF	
CC[C@H](C)[C@H](C[C@H](C(=O)O)[C@@H](C)CC)C(=O)O	13378315	ANMSHEPZNSIGRK-NAKRPEOUSA-N	244.331	2.870	0	1	BFAF	biogenic
CC(C)[C@]12CC[C@](C)(O1)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]1C2	15160950	VWQSEENZNJRXDR-HCDMYHGNSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
CCn1cc(Cn2ccnc2)c2ccccc21	27096766	KIIFZBAPVHIJQJ-UHFFFAOYSA-N	225.295	2.906	0	1	BFAF	in-vivo
COC(=O)/C=C/c1ccc2cc(C)ccc2n1	28003133	KMSVPVIAIXSFBC-SOFGYWHQSA-N	227.263	2.729	0	1	BFAF	
COc1cccc2c1[C@H](c1ccco1)OC2=O	29317805	HDVFCIQREPTTDQ-LBPRGKRZSA-N	230.219	2.548	0	1	BFAF	
CC(C)Cc1ccc([C@@H](N=O)C(=O)O)s1	169689283	WAFIALIFJSOGMF-SECBINFHSA-N	227.285	2.839	0	1	BFAF	
Cc1nc2cccc3c2c(c1CCCO)CC3	587215159	IHTNPKSXOWAYSW-UHFFFAOYSA-N	227.307	2.567	0	1	BFAF	
COc1cc(=O)cc(C=Cc2ccccc2)o1	2356556493	CSVBHFGQISRADN-UHFFFAOYSA-N	228.247	2.819	0	1	BFAF	
CC1(C)CCC[C@](C)(O)[C@H]2CCC(CO)=C[C@H]21	2356652807	QRYPQTUSGXZGNH-GUTXKFCHSA-N	238.371	2.892	0	1	BFAF	
CC1=C2CC(C)(C)C[C@@H]2[C@@](C)(O)CC[C@H]1CO	2356721633	KKNNDPHMJQUPLA-WHOFXGATSA-N	238.371	2.892	0	1	BFAF	
CC=Cc1cc(=O)c2c(C)cc(O)cc2o1	2356843863	NQIKHLHKSAOUOA-UHFFFAOYSA-N	216.236	2.840	0	1	BFAF	
Oc1ccc(CCCn2cc[nH]c2=S)cc1	27876457	CUGJJJHGRSSKCA-UHFFFAOYSA-N	234.324	2.884	0	1	BFAF	
Clc1ccc2c(n1)CC[C@H]1[C@H]3CC[C@H](N3)[C@@H]21	28001381	YFIIBDQLLAQNAF-ZVJCDOFWSA-N	234.730	2.515	0	1	BFAF	
Nc1nccc2ccc(-c3cccnc3)cc12	45187462	MNSZSMSCRGOMKG-UHFFFAOYSA-N	221.263	2.879	0	1	BFAF	
CC1(C)C[C@@H](O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]12)C3	238785373	BWXJQHJHGMZLBT-ZZVJUGKHSA-N	238.371	2.725	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2cccnc2[nH]1	586914096	UJLXBTTWGIZZOC-KOLCDFICSA-N	231.299	2.631	0	1	BFAF	
Cc1cc(O)c(C)c2c1CC[C@@H]1[C@@H]2O[C@@H](O)[C@H]1C	1772647430	JBCANCDJOKSTJJ-XETDPJDSSA-N	248.322	2.597	0	1	BFAF	
OCCc1ccc(Oc2cccc(CO)c2)cc1	2356720999	QCOUCGXKBLJMEO-UHFFFAOYSA-N	244.290	2.506	0	1	BFAF	
CC1=C(N)N(Cc2ccccc2F)[CH]C=C1	2356866873	XGDMGCCGLPAWKX-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
O=C(O)c1c(O)cccc1CCc1ccccc1	28861943	VWNYYBJFAWDQSJ-UHFFFAOYSA-N	242.274	2.876	0	1	BFAF	
C[n+]1cc(-c2cccc(F)c2)nc2ccccc21	96915127	GBWLNBFLIRNNPC-UHFFFAOYSA-N	239.273	2.865	0	1	BFAF	
N=c1[nH]ccc2nc(CC3CCCCCC3)[nH]c12	587960719	MYGGUSWTIBOMHD-UHFFFAOYSA-N	244.342	2.883	0	1	BFAF	
C[C@@H]1[C@H](O)[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)CC(=O)[C@H]12	2356393673	PLDRVGAFDSCTJO-QWXWDBDGSA-N	236.355	2.645	0	1	BFAF	
C[C@H](N)Cn1ccc2ccc3ncccc3c21	8671	SDEXYLCQNBTWLI-JTQLQIEISA-N	225.295	2.537	0	1	BFAF	in-vivo
CC[C@H](C)Nc1nc(SC)nc2ncccc12	27653533	UFLLVHGKRSUCAI-QMMMGPOBSA-N	248.355	2.957	0	1	BFAF	
COCCc1cccc2c1CC[C@H]2c1ncc[nH]1	40900953	NNKSQAHRFKMBLQ-CQSZACIVSA-N	242.322	2.677	0	1	BFAF	
C[C@@]12N[C@H](Cc3ccccc31)c1ccc(O)cc12	100649186	HXZMISWMKKQWQJ-HZPDHXFCSA-N	237.302	2.856	0	1	BFAF	
CC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1c1ccccc1)N2C	169331251	VMEJQZFFMLPUEF-FPCVCCKLSA-N	243.350	2.842	0	1	BFAF	
COc1ccc2nc(C3=CCCC3)[nH]c2n1	586884494	QHGIWBAKXDZBHZ-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
NO[C@@H](c1ccccc1)c1cccc(F)c1	1857596581	GUMFSHXHXIXHMN-ZDUSSCGKSA-N	217.243	2.805	0	1	BFAF	
Cc1c2cc(O)ccc2nn1-c1ccc(O)cc1	13609506	HXMAZXGAADSJBT-UHFFFAOYSA-N	240.262	2.745	0	1	BFAF	
COc1cccc([C@@]23CCC[C@@H](C2)N[C@@H]3C)c1	33828320	VHLAYLGSPSIKOJ-ZLDLUXBVSA-N	231.339	2.867	0	1	BFAF	
Cc1ccc(C[C@]2(C)SC(=O)[C@H](C)C2=O)cc1	58507805	MNYRRFBCVIIAEC-YGRLFVJLSA-N	248.347	2.775	0	1	BFAF	
OC1(c2cc(-c3ccccc3)n[nH]2)CCCC1	230472592	GKHXBOMLCZWNOE-UHFFFAOYSA-N	228.295	2.838	0	1	BFAF	in-vitro
CSCC(C)(C)c1nc2cc(C)cnc2[nH]1	586969837	ZCJZMZKSHGSMJT-UHFFFAOYSA-N	235.356	2.907	0	1	BFAF	
CC(C)(C)CO[C@@H]1OC(=O)C(Cl)=C1Cl	1857650715	HDLNHRVQXWIOKN-MRVPVSSYSA-N	239.098	2.621	0	1	BFAF	
CC1=CC(=CCC[C@@H](C)O)CN2CCCC[C@H]12	2356806630	AHEJLXVLILVPHL-UKRRQHHQSA-N	235.371	2.888	0	1	BFAF	
O=C1CCC[C@H]2c3[nH]c4ccccc4c3CCN12	6576340	RAWPBTDNWLONTE-ZDUSSCGKSA-N	240.306	2.778	0	3	BFAF	biogenic
N[C@H]1[C@H]2CC[C@@H]1C[C@@H]2c1ccc(Cl)nc1	28638475	INLFGRVNSNAIRT-DLYFRVTGSA-N	222.719	2.576	0	1	BFAF	
Cc1[nH]nc2c1CCc1c-2[nH]c2ccccc12	40380529	HIJHIBWSHVXXGO-UHFFFAOYSA-N	223.279	2.965	0	1	BFAF	
CCCOc1ccc2ccc(=O)oc2c1C(C)=O	64559102	XDGJEUMPGBUXDY-UHFFFAOYSA-N	246.262	2.784	0	1	BFAF	in-vivo
Cc1ccccc1-c1nc(=O)ss1	95586717	TYIDPMSYRNXEHZ-UHFFFAOYSA-N	209.295	2.540	0	1	BFAF	
Clc1ccc(-c2cc3n(n2)CCCC3)nc1	96911186	QAHGEVAGKOYUKC-UHFFFAOYSA-N	233.702	2.935	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1[C@H](c3cnc[nH]3)[C@@H]21	169368317	SVYVZZUTGJVKNX-AEGPPILISA-N	240.306	2.862	0	1	BFAF	
O=NCc1cccc(Br)c1	198819630	YXWJCMYFFAYPAZ-UHFFFAOYSA-N	200.035	2.716	0	1	BFAF	
OCC=C1CCC(c2ccc(O)cc2)CC1	1857608821	NIPMIFHUKYBPCG-UHFFFAOYSA-N	218.296	2.969	0	1	BFAF	
C[C@@H]1C[C@]2(C)C[C@@H](Cc3ccccc32)N1C	29477294	UUIHLUKORNVGJW-UXIGCNINSA-N	215.340	2.983	0	1	BFAF	
COc1ccc(C)cc1OCc1ccccn1	53683040	AVXQTLSOXWQOHO-UHFFFAOYSA-N	229.279	2.978	0	1	BFAF	in-vivo
CCCCN[C@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]5C[C@H]([C@@H]42)[C@]1(C)[C@H]53	253685723	LRNABWCLYGWJSN-FFKBIBKISA-N	231.383	2.913	0	1	BFAF	
Cc1ccc(-c2ccnc(C(=O)O)n2)cc1Cl	1772615341	QTRBNMFVRCHABF-UHFFFAOYSA-N	248.669	2.804	0	1	BFAF	
C[C@@H]1CC[C@H]2[C@@H]3C(=O)CCO[C@@]3(C)C=C[C@@H]2C1	2356324558	RMXWBAZVHFTPRY-FWZIUSJTSA-N	234.339	2.973	0	1	BFAF	
CC[C@]12CCN(C)[C@H](Cc3ccc(O)cc31)[C@@H]2C	26390233	QGWPXULEDXWEKR-IUIKQTSFSA-N	245.366	2.936	0	1	BFAF	
Clc1ncnc2c1ncn2[C@H]1C[C@@H]2CC[C@@H]1C2	101930573	HCMOLGILLULWHJ-HLTSFMKQSA-N	248.717	2.841	0	1	BFAF	
Clc1cncc2nc(C3CC4(COC4)C3)[nH]c12	586917301	SGJGDQWNUSFYJW-UHFFFAOYSA-N	249.701	2.505	0	1	BFAF	
C[C@H]1C(=O)CCc2c1nc1cccc3c1c2CC3	587214945	GIBXORFHQNHWSD-VIFPVBQESA-N	237.302	2.952	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1CC1)O2	587405439	LFAMRGMXODGZTJ-AWEZNQCLSA-N	231.295	2.711	0	1	BFAF	
CCOCCOCc1nc2cc(C)cc(C)c2[nH]1	587777616	BIMDEELUDIJODK-UHFFFAOYSA-N	248.326	2.733	0	1	BFAF	
CCCCCC(=O)CCCCC(=O)OC	14620355	AKDVORJUAWJEMP-UHFFFAOYSA-N	214.305	2.869	0	1	BFAF	biogenic
O=C1N[C@@H]2CCCc3ccc(Cl)cc3[C@@H]2O1	26643340	ITKXZBDTKKDOPI-MNOVXSKESA-N	237.686	2.826	0	1	BFAF	
CC(C)[C@H]1[C@@H]2CO[C@H]1[C@H]1N(C)C[C@H]3CC[C@@H]2[C@]31C	38190834	VNAJNLDGWVFACK-LUWMMQMLSA-N	249.398	2.634	0	1	BFAF	in-vitro
CCOC(=O)/C=C\Oc1nc2ccccc2s1	49807365	DQHIUHWRENFISH-FPLPWBNLSA-N	249.291	2.752	0	1	BFAF	
CC[C@H](C)[C@@H](C)OCN1C=CN(C)/C1=C/N=O	136851106	RYXHWAQIUHASNX-JNBVNVQXSA-N	239.319	2.679	0	1	BFAF	
CCn1cc(-c2ccc3[nH]c(=N)sc3c2)cn1	473087911	GKWIVBBLOPTVHS-UHFFFAOYSA-N	244.323	2.592	0	1	BFAF	
N[C@H](Cc1ccc(Cl)c(Cl)c1)N=O	957588881	HPSGGIMHSLPQDW-QMMMGPOBSA-N	219.071	2.587	0	1	BFAF	
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N	1857584843	DUGAXFUVLZBESY-WCQYABFASA-N	205.301	2.598	0	1	BFAF	
CC1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@H](C)[C@@]2(O)CC1	2356326735	YSMIVLKCCCKQBB-FQKPHLNHSA-N	238.371	2.748	0	1	BFAF	
COC(=O)CCCCCCCC=CCCO	2356694028	UEHUKETWTYBLMM-UHFFFAOYSA-N	228.332	2.829	0	1	BFAF	
CC/C=C/C1=C2N=C(N)N[C@H]3CC[C@@H](C[C@@H]1C)[C@@H]23	39122037	YSZQKSLEUOCOPD-GWZQUTHXSA-N	245.370	2.559	0	1	BFAF	
O=C1Nc2ccccc2[C@H]2c3ccccc3N[C@@H]12	43060625	XXUMJZLUQLIDJC-ZIAGYGMSSA-N	236.274	2.565	0	1	BFAF	
CCOC(=N)CC(=O)Nc1cccc(C)c1C	102967832	VSPZSDNIHYEKQT-UHFFFAOYSA-N	234.299	2.646	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1[C@H](CCCN1C(C)=O)C2	299829557	LOOWWSAZIWKCIJ-DOMZBBRYSA-N	245.322	2.551	0	1	BFAF	
Cc1c(C(=O)Nc2ccccn2)ccc(F)c1F	299831539	CJWOGMBSFBTXGE-UHFFFAOYSA-N	248.232	2.921	0	1	BFAF	
Cc1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1C	587969445	SULBLHTZAKSKIC-UZNMPDEFSA-N	242.278	2.834	0	1	BFAF	
C[C@@H](O)[C@H](Oc1ccccc1O)c1ccccc1	2356284188	RNGCFDHRKNSIIK-ABAIWWIYSA-N	244.290	2.893	0	1	BFAF	
CC[C@@H]1C=C(c2ccc(C)cc2)C(=O)O1	3654450	RFBPKMXSXRYFDL-LLVKDONJSA-N	202.253	2.714	0	1	BFAF	biogenic
C=C(C(=O)O)[C@@H]1CCC2=CCC(=O)[C@H](C)[C@]2(C)C1	14450113	DHYOHSUACHSNQM-RWSFTLGLSA-N	248.322	2.969	0	1	BFAF	biogenic
Oc1ccc2nc(C3=CCCC3)[nH]c2c1	586883347	IVPDNUGXBFNLDD-UHFFFAOYSA-N	200.241	2.836	0	1	BFAF	
Cc1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1	586959118	LIJWZNVBZPBAFE-QGZVFWFLSA-N	248.351	2.530	0	1	BFAF	
CCCC/C=C/c1ccc2c(O)nc(O)nc2n1	587560782	FVEQTIOXDYZUQH-AATRIKPKSA-N	245.282	2.639	0	1	BFAF	
CCC[C@@H](c1nc2c(O)ncnc2[nH]1)C(C)C	587956590	UAVGIKSBWGIEKI-MRVPVSSYSA-N	234.303	2.598	0	1	BFAF	
N[C@@H](N=O)c1ccccc1OCc1ccccc1	957756832	STRDOPBCCDBYLZ-AWEZNQCLSA-N	242.278	2.989	0	1	BFAF	
CC1=C[C@@]2(C[C@@H]1O)[C@H]1OC[C@H](C)[C@H]1CC[C@H]2C	2356695464	IAEABCWVVYXBSR-RHTUOURWSA-N	236.355	2.765	0	1	BFAF	
C1=NC[C@@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1	3975998	BAMMEMQIAYAJNE-PMPSAXMXSA-N	240.350	2.572	0	1	BFAF	
CC[C@@H](C)C(=O)[C@H](O)Cc1c[nH]c2ccccc12	14455619	GRVFODKSPHRUNC-QMTHXVAHSA-N	245.322	2.687	0	1	BFAF	biogenic
C/C=C1/[C@@H]2CC(C)=C[C@H]1Cc1[nH]c(=O)ccc12	26578750	PTZJKZAGQUPZHZ-AWRLJKPZSA-N	227.307	2.927	0	1	BFAF	
C[C@@H]1C[C@]2(C)C[C@@H](Cc3ccc(O)cc32)N1C	29483441	BTVUINDNYSENMC-IXPVHAAZSA-N	231.339	2.689	0	1	BFAF	
c1ccc(CN2CCN=C2c2ccccc2)cc1	96915310	XECZPMLUVPEPKQ-UHFFFAOYSA-N	236.318	2.949	0	1	BFAF	
O=C(COc1ccc(F)cc1)c1nccs1	212422738	DXRPOIZQQPKTPJ-UHFFFAOYSA-N	237.255	2.544	0	1	BFAF	
CCCOc1ccc(F)cc1[C@H]1C[C@@H]1CN	299853752	PHNQBSADACIRLN-KOLCDFICSA-N	223.291	2.677	0	1	BFAF	
O=C1C[C@H](Sc2ccccc2C(F)(F)F)N1	299871571	YRAPWCHPLGGFMU-VIFPVBQESA-N	247.241	2.644	0	1	BFAF	
N[C@H](Cc1ccc(Cl)cc1Cl)N=O	957589318	DRFAEZKSXOJUGT-QMMMGPOBSA-N	219.071	2.587	0	1	BFAF	
Oc1nc(-c2ccncc2)cc(-c2ccco2)n1	1772602716	VROWYFMTWSXTSY-UHFFFAOYSA-N	239.234	2.504	0	1	BFAF	
CC1=CCC[C@@H](C)C(=O)CC2=C(C)C(=O)N[C@@H]2C1	2356374086	MZVOQYNJEAKDJD-ZWNOBZJWSA-N	247.338	2.527	0	1	BFAF	
COc1ccc(-c2c(OC)cc(=O)oc2C)cc1	26650341	YMBDBBMRNJLYPD-UHFFFAOYSA-N	246.262	2.632	0	1	BFAF	
COc1ccc2c(c1)[C@H]1CCCN[C@@H]2C1	27525770	UQJJRYFXFFOINV-TVQRCGJNSA-N	203.285	2.607	0	1	BFAF	
CC1(C)N[C@H]1[C@H](O)c1ccc2ccccc2c1	169316474	CATNXLVQVNCSIK-KGLIPLIRSA-N	227.307	2.624	0	1	BFAF	
C/C(CO)=C1/CC[C@]2(C)[C@@H]3[C@H]1[C@H]2CC[C@]3(C)O	13407584	VCKNBYBUMOAFMV-SABGIDJWSA-N	236.355	2.502	0	1	BFAF	in-man
COc1ccc(-c2cnn3c2CCC3)cc1	13480220	IRSHDNKVZGCDJZ-UHFFFAOYSA-N	214.268	2.505	0	1	BFAF	biogenic
CNC(=O)c1cc2c(cn1)sc1ccccc12	26837719	KFVZPNTVCCVKLJ-UHFFFAOYSA-N	242.303	2.809	0	1	BFAF	
C[C@]12CC[C@H]3CC(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O	29482220	HHPUADWBUUWGBY-YGTGSIHKSA-N	222.328	2.543	0	1	BFAF	
CCCC(=O)OCCCc1cocc1C	103219606	PRPIYVSJRFDIOC-UHFFFAOYSA-N	210.273	2.864	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1[C@@H]2CCC[C@H]1O	261160999	QVONKCBUMIKHBA-IVMMDQJWSA-N	246.374	2.575	0	1	BFAF	
CC(C)(C)N[C@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C	299814082	VBIQESJEDOKYKY-DEKYYXRVSA-N	225.376	2.560	0	1	BFAF	
C=Cc1ccc(-c2nc3ncncc3[nH]2)cc1	586880020	AZVQMJQHIODQLT-UHFFFAOYSA-N	222.251	2.663	0	1	BFAF	
O=C1C(O)=C(c2ccc(Cl)cc2)[C@H]2CCCN12	1857651847	ZUCWEALICOMGLY-SNVBAGLBSA-N	249.697	2.614	0	1	BFAF	
CCCCc1ccc(C(=O)OCC)nc1	196195478	YVILAFHQCCUMNT-UHFFFAOYSA-N	207.273	2.601	0	1	BFAF	
O=C1[C@H]2CC=CC[C@H]2C(=O)[C@@H]1c1ccccc1	253635233	KDSHBWMZFPXLDX-ITGUQSILSA-N	226.275	2.504	0	1	BFAF	
C[C@H](F)[C@H](N)c1nc2ccc(Cl)cc2[nH]1	587123296	INQWWIXZPVUJBU-CDUCUWFYSA-N	227.670	2.574	0	1	BFAF	
CC1=CCC[C@]2(C)C[C@@]3(O)OC(=O)C(C)=C3C[C@@H]12	2356414120	GLJUGKFIAGMAKM-NILFDRSVSA-N	248.322	2.705	0	1	BFAF	
CC1=C2CC(C)(C)C[C@@H]2[C@](C)(O)CC[C@@H]1CO	2356721632	KKNNDPHMJQUPLA-OSAQELSMSA-N	238.371	2.892	0	1	BFAF	
NC1=N[C@@H](c2ccccc2)Cc2cccc(F)c21	25976323	OTLLMGWJZKFCGF-CYBMUJFWSA-N	240.281	2.828	0	1	BFAF	
COc1c2c(cc3ccccc13)CC[C@H](N)C2	26166657	XZOPIEFNQZTGHL-LBPRGKRZSA-N	227.307	2.664	0	1	BFAF	in-vivo
CNC(=O)/C=C1\CCc2cc(Cl)c(F)cc21	27413806	VNWXAONTSHUACZ-VMPITWQZSA-N	239.677	2.555	0	1	BFAF	
CCc1cnc2cc3c(cc2c1)[C@H]1CNC[C@@H]3C1	28527965	RAGYLUOTYIODHC-OLZOCXBDSA-N	238.334	2.971	0	1	BFAF	
Clc1ccc2c(n1)CN1[C@H]3CC[C@H]1[C@H]2C3	101156095	IMTFYHGMSYRWOU-ARENWVFISA-N	220.703	2.569	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]1c1cnc[nH]1	101494971	SVYVZZUTGJVKNX-QEJZJMRPSA-N	240.306	2.862	0	1	BFAF	
Cc1n[nH]c2ccnc(OC3CCCCC3)c12	113702360	SZWNAVSPEUVUHU-UHFFFAOYSA-N	231.299	2.978	0	1	BFAF	
N[C@@H](N=O)c1ccc2nc(C3CCC3)[nH]c2c1	586884318	MSYVZPQVEKYSJS-NSHDSACASA-N	230.271	2.554	0	1	BFAF	
CCOC(=O)CCCCCCCC(OC)OC	2356742210	BAMLTIKVPSRAJD-UHFFFAOYSA-N	246.347	2.899	0	1	BFAF	
c1ccc(NC2=NCCN2CC2CCC2)cc1	36386649	HZIBFNGNWNOANT-UHFFFAOYSA-N	229.327	2.570	0	3	BFAF	
Cc1ccc([S@@](=O)Cc2cccnc2)cc1	27632696	AQCHTWNLOSWZMW-MRXNPFEDSA-N	231.320	2.698	0	1	BFAF	
CCC(=O)O[C@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21	100051214	ZPFJBPIFMMENKC-HGCLJGPKSA-N	206.285	2.540	0	1	BFAF	
Fc1ccc(C2=C[C@H]3CC[C@H](C2)N3)cc1	101300475	LKSXLNMBLGXHQS-CHWSQXEVSA-N	203.260	2.733	0	1	BFAF	
Cc1ccc([C@H]2CN3CCCC[C@@H]3CO2)cc1	169315891	QAGSXAMKOPRXAJ-HUUCEWRRSA-N	231.339	2.921	0	1	BFAF	
c1cc2c3c(c([C@H]4CCOC4)cnc3c1)CC2	587215722	LQGKQXSRNVJLIY-NSHDSACASA-N	225.291	2.837	0	1	BFAF	
Cc1cc(-c2cnc3cccnn23)cc(C)c1O	653670294	SROPHMGQCRLTSP-UHFFFAOYSA-N	239.278	2.719	0	1	BFAF	
Cc1coc2c1C(=O)[C@]1(C)[C@H](C)CC[C@@H](O)[C@@H]1C2	2356469132	AWXFUOOEZGQLHT-JNIYBQFBSA-N	248.322	2.740	0	1	BFAF	
C[C@@H]1CCCC2=C[C@H](O)[C@H](C(C)(C)O)C[C@@]21C	2356691043	VYLHYKHUCVHIKW-IKVITTDRSA-N	238.371	2.891	0	1	BFAF	
C[C@H](O)C=CC[C@H](C)[C@@H]1C=C[C@](C)(O)CC1	2356868428	XBKAUOYYIOGLNF-FQUUOJAGSA-N	224.344	2.667	0	1	BFAF	
O=C1OCOC2(CCCC2)[C@H]1c1ccccc1	1640709	BLINMRDHMPCMPI-LBPRGKRZSA-N	232.279	2.614	0	1	BFAF	
CSc1c(C)c(=O)oc2c(O)ccc(C)c12	14448048	BSEFNMUDJWBKLO-UHFFFAOYSA-N	236.292	2.837	0	1	BFAF	biogenic
Cc1ccc(O)c(C)c1C[C@@H]1CC(=O)OC1(C)C	14583439	NTSBAYOUJHKJPT-LLVKDONJSA-N	248.322	2.893	0	1	BFAF	biogenic
C[C@@H]1CC[C@H](c2ccoc2)N2C[C@@H](CO)CC[C@@H]12	14962742	FFVCMXOAPCVMHQ-PAPYEOQZSA-N	249.354	2.824	0	1	BFAF	biogenic
CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C	27078488	ZMAYVLNGIHEQKO-HFBAOOFYSA-N	245.366	2.936	0	1	BFAF	
COc1cc(/C=C/c2n[nH]c(C)c2C)ccc1O	40934026	VWIIDPQXPFILEL-GQCTYLIASA-N	244.294	2.911	0	1	BFAF	
CSc1ccc(C[C@@H](C)N(C)C)cc1	49018184	NFRBJBFYUNQIQP-SNVBAGLBSA-N	209.358	2.901	0	1	BFAF	in-vivo
C=Cc1ccc(-c2cccc3nnc(N)n23)cc1	63539338	FMIWVLSQXKDNHB-UHFFFAOYSA-N	236.278	2.622	0	1	BFAF	
Cc1cnc(N2CCC[C@@H]2C)nc1NCC(C)C	82201627	LTSQYLYVLYVPFQ-LBPRGKRZSA-N	248.374	2.842	0	1	BFAF	
CC(C)N(Cc1c[nH]cn1)c1ccccc1F	95557806	DHKRVJWEQLPVBA-UHFFFAOYSA-N	233.290	2.964	0	1	BFAF	
CC(=O)c1c(O)cc(C)c2c1C[C@H](C)CC2=O	238786221	PFLGBPNQIZRCNL-ZETCQYMHSA-N	232.279	2.668	0	1	BFAF	
CC1=C[C@H](c2ccc(Cl)cc2)NC(=S)N1	473135125	FTAGEODBVBCSJC-SNVBAGLBSA-N	238.743	2.763	0	1	BFAF	
CC(C)C[C@H](O)c1nc2ccc(Cl)nc2[nH]1	586900618	HVSLHVNHGSFFLF-QMMMGPOBSA-N	239.706	2.691	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(C)nc2[nH]1	586913758	SGSVZYGJNHAIQZ-CMPLNLGQSA-N	245.326	2.939	0	1	BFAF	
CC(C)(C)Cc1cc(C(=O)O)ccc1O	2356340475	PZYGTLTUCDNZNO-UHFFFAOYSA-N	208.257	2.679	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@](C)(O2)[C@H](O)[C@@H]13	2356690787	KYCJKHVCYJLBJM-BBZRCZKMSA-N	238.371	2.987	0	1	BFAF	
CCCCC(=O)c1c(O)cc(OC)c(C)c1O	13373697	AWISDPISFOVVAL-UHFFFAOYSA-N	238.283	2.788	0	1	BFAF	biogenic
CCCCc1noc(C2=CC[C@@H]3CC[C@H]2N3C)n1	27753097	HIHAAFSTCBQDDZ-ZYHUDNBSSA-N	247.342	2.662	0	1	BFAF	
COc1cccc(C(=O)[C@@H](C)NC2CCCC2)c1	45339554	ZMRXSORFBXMBCB-LLVKDONJSA-N	247.338	2.799	0	1	BFAF	in-vivo
CC[C@H](C)C[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719221	DGCWGCBTVBOIST-DKCNOQQISA-N	214.330	2.660	0	1	BFAF	
CC1(C)C[C@H]2[C@H](C=C3CO[C@H](O)[C@@]34C[C@@]24C)C1	238750703	JPFARHSFKRUMBZ-WIAIPBKYSA-N	234.339	2.724	0	1	BFAF	
CCCN(CCC)CCc1ccc(C=O)c(O)c1	26174547	YOFLBNWFBVQNTN-UHFFFAOYSA-N	249.354	2.869	0	1	BFAF	
CCn1c(C)c2c(c1C)[C@](C)(C(N)=O)CC2(C)C	39215393	YRLSTDRNUOJUKO-OAHLLOKOSA-N	248.370	2.549	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2ccnc(O)c2[nH]1	586892684	VLVYHJLCVNGBAM-MADCSZMMSA-N	217.272	2.567	0	1	BFAF	
CC(C)C[C@H](O)c1nc2ccc(F)cc2[nH]1	586901050	NMRVVDCDIQDZKP-NSHDSACASA-N	222.263	2.782	0	1	BFAF	
CC[C@H](O)c1nc2cc(Cl)c(Cl)nc2[nH]1	586901392	UCTMPUMVVDCGIO-LURJTMIESA-N	246.097	2.708	0	1	BFAF	
N[C@@H](N=O)c1ccc(Oc2ccc(F)cc2)nc1	957654208	HBUSGDPRQXKGFK-LBPRGKRZSA-N	247.229	2.737	0	1	BFAF	
CC(C)(C)NC[C@@H]1C[C@@H]2CCCC[C@@H]2CN1	1772650943	PSVHZTBJEAUZSI-XQQFMLRXSA-N	224.392	2.543	0	1	BFAF	
COC1=C(C)C(=O)O[C@H](C=Cc2ccccc2)C1	2356699100	CSMBYJHAWMUEKM-CYBMUJFWSA-N	244.290	2.936	0	1	BFAF	
C[C@]12CCC[C@]3(C)C[C@H]1[C@@](O)(CO)CC[C@]23C	2356815467	CRXRVQGQUWUBSB-MRLBHPIUSA-N	238.371	2.726	0	1	BFAF	
CCCCSC(=O)[C@@H](O)c1ccccc1	1762576	OQYRZKXZWXMUCB-NSHDSACASA-N	224.325	2.780	0	1	BFAF	
CCCN1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21	13826563	HDCVYYTWHHFQGS-UKRRQHHQSA-N	245.366	2.894	0	1	BFAF	
C/C(=C/CC[C@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2)CO	38364227	FUCSWNUANQRDFQ-IAMMIMHCSA-N	238.371	2.892	0	1	BFAF	biogenic,in-vitro
Cc1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1	586959114	LIJWZNVBZPBAFE-KRWDZBQOSA-N	248.351	2.530	0	1	BFAF	
O=C(O)/C=C/C=C/c1nc2c(Cl)cccc2[nH]1	587965383	LJGKNOOCHUTUOS-LWBLAMGCSA-N	248.669	2.870	0	1	BFAF	
CC(=O)CCC=C1C[C@H](C=C(C)C)OC1=O	2356516707	HAGKOYTUAINBNR-LBPRGKRZSA-N	222.284	2.564	0	1	BFAF	
[CH]1C=CC=CN1Cc1nnc(-c2ccccc2)o1	2356836639	JHOWESZGZQRYMA-UHFFFAOYSA-N	238.270	2.784	0	1	BFAF	
O[C@H]1C[C@@H](c2ccco2)NC2(CCCCC2)C1	335501	AIQYSLMWCIICFG-RYUDHWBXSA-N	235.327	2.768	0	3	BFAF	
Cc1ccc(OC(=O)c2cccs2)cn1	1514360	BLJRXJXOLZWTJS-UHFFFAOYSA-N	219.265	2.671	0	1	BFAF	
CCCN(CCC)[C@H]1Cc2cccc(O)c2C1	5833150	CJKPENGZQFFKLK-ZDUSSCGKSA-N	233.355	2.981	0	1	BFAF	
CN1C(=S)[C@@H](CCCC(=O)O)c2ccccc21	13832583	QHJCJUXULVYEKC-JTQLQIEISA-N	249.335	2.802	0	1	BFAF	
CCOC(=O)N1CCC[C@@H](c2ccccc2)C1=O	26169574	MLIRJYURQYAVJP-LBPRGKRZSA-N	247.294	2.549	0	1	BFAF	
CN[C@@]12CCCC[C@H]1Cc1ccsc12	27739450	ONFGTFYUJIVLQQ-JQWIXIFHSA-N	207.342	2.909	0	1	BFAF	
CC1=CCCC[C@@H]1N(O)c1cc(C)on1	73170160	DCNXVMUPNWTQRM-JTQLQIEISA-N	208.261	2.677	0	1	BFAF	
COc1cccc(-c2cc(NC(C)C)ncn2)c1	82160993	FWFUGTPDHNKOGX-UHFFFAOYSA-N	243.310	2.973	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2cnccc2[nH]1	586911186	KWGPOYJEMGZPFW-SKDRFNHKSA-N	231.299	2.631	0	1	BFAF	
COC(=O)C=C[C@@H]1c2ccccc2[C@@H](OC)[C@H]1C	1857623098	CMKYBWAWPBVWFW-PGUXBMHVSA-N	246.306	2.837	0	1	BFAF	
Fc1ccc(Cl)cc1-c1ccn2ncnc2n1	1857637025	MOFIVOOHKNEIOX-UHFFFAOYSA-N	248.648	2.584	0	1	BFAF	
COC(=O)CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356474909	IAFZDECXSSLOPI-NQWIIKEOSA-N	208.301	2.622	0	1	BFAF	
Cc1cc(N)cc(N2CCc3ccccc3C2)n1	13488069	YSDYZWDWFNMKFW-UHFFFAOYSA-N	239.322	2.535	0	1	BFAF	
CC(C)(C)C(=O)c1ccc(C2=NCCO2)cc1	29345079	YDQGGTPMIFBDQT-UHFFFAOYSA-N	231.295	2.692	0	1	BFAF	
COc1ccc2sc3c(c2c1)CCCNC3=O	43022234	BZQVWTDKMSTNBU-UHFFFAOYSA-N	247.319	2.586	0	1	BFAF	
COc1cccc(C2=NO[C@H]3CCCC[C@H]23)c1	95577378	UKFPJKMZLPFJMZ-STQMWFEESA-N	231.295	2.988	0	1	BFAF	
C[C@H]1C(=O)C[C@@H]2[C@H]3[C@@H]1[C@]2(C)CCC(=O)C3(C)C	100775943	PZYLIQGFDJFRCZ-HWYTXOMYSA-N	234.339	2.853	0	1	BFAF	endogenous,in-man
CC1=C(O)C[C@@H](CCCC(C)C)OC1=O	2356712365	ADZBOAAUWYXFIU-SNVBAGLBSA-N	212.289	2.960	0	1	BFAF	
CCCN1CC[C@H]2c3cc(O)ccc3CC[C@@H]21	8584827	LJDRQPOQHHOXHM-ZFWWWQNUSA-N	231.339	2.906	0	1	BFAF	biogenic
Oc1ccc([C@@H]2CNc3cc(O)ccc3C2)cc1	28865984	GKAXYWNIEDJCER-LBPRGKRZSA-N	241.290	2.850	0	1	BFAF	
CN(CCOc1ccc(O)cc1)c1ccccc1	96909375	BZYJTIQKIKGBRM-UHFFFAOYSA-N	243.306	2.907	0	1	BFAF	
Cc1c2c3c(c(O)cc(C)c3oc1=O)[C@@H](C)CO2	140801738	UYYKOULYRKKQRP-ZETCQYMHSA-N	246.262	2.611	0	1	BFAF	
O=NC1=C(Cc2ccc(O)cc2)N2CCC1CC2	169730504	OMPLLISCOUUUFV-UHFFFAOYSA-N	244.294	2.638	0	1	BFAF	
COc1ccc2c(c1)NC(=O)C2=CC=C(C)C	2356713142	ACAYJUFAIJJELS-UHFFFAOYSA-N	229.279	2.997	0	1	BFAF	
CCOC1=NC(=O)C[C@H](c2ccccc2)S1	1629762	NJZDXTWIUZBSOT-SNVBAGLBSA-N	235.308	2.784	0	1	BFAF	
CC(C)(C)N[C@H]1[C@H]2CC[C@@](C)([C@H]1O)C2(C)C	1861595	VBIQESJEDOKYKY-ZHPDPMBESA-N	225.376	2.560	0	1	BFAF	
COc1cc(O)c(C(=O)CC(C)C)c(OC)c1	34483498	ZJKLEVUMLVFQRG-UHFFFAOYSA-N	238.283	2.638	0	1	BFAF	
COC(=O)C/C=C1/c2ccccc2[C@@H](OC)[C@@H]1C	73101364	BAHWNFBCNAWEMW-MZOCFUTOSA-N	246.306	2.970	0	1	BFAF	
Cc1ccc(Nc2nc(C[C@H](C)O)ns2)cc1	82052429	MZZNUGPMZFBTCJ-VIFPVBQESA-N	249.339	2.513	0	1	BFAF	
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN(C)C2	137807075	WJIDGFVKDOMGDU-FFSVYQOJSA-N	245.366	2.794	0	1	BFAF	
COc1cc2ccoc2cc1C=CC(=O)O	2356414064	OGPPYEWGUGMXAG-UHFFFAOYSA-N	218.208	2.539	0	1	BFAF	
c1cncc(CSc2nc3ncccc3o2)c1	15736116	CYERDEKLXXNLRL-UHFFFAOYSA-N	243.291	2.910	0	1	BFAF	
CC[C@@H](C)CNc1nc2cccc(C)c2c(=O)o1	27526709	HKYMJMGAGKAVQD-SECBINFHSA-N	246.310	2.954	0	1	BFAF	
Cc1cccc2nc(OCC(C)C)oc(=O)c12	27549076	UALOKIGAFRWSKV-UHFFFAOYSA-N	233.267	2.531	0	1	BFAF	
CC[C@H](C)CCOC(=O)c1cccnc1	87613184	APYGPUWKAUYTHT-JTQLQIEISA-N	207.273	2.675	0	1	BFAF	
CC(=O)Nc1nc2c(s1)-c1ccccc1CC2	96906401	ZJFDVGCZOBGYDP-UHFFFAOYSA-N	244.319	2.867	0	1	BFAF	
Cc1cc(C)n(-c2nc(C)c(Cl)c(C)n2)n1	103196367	OMMMBCKPHVLUTQ-UHFFFAOYSA-N	236.706	2.549	0	1	BFAF	
O=C(O)c1ccc(-c2c[nH]c3ncccc23)cc1	1857752426	QXRUJHSIUOMXKV-UHFFFAOYSA-N	238.246	2.928	0	1	BFAF	
Oc1ccc([C@@H]2CCC[C@@H](O)CC2)cc1	1857764695	WESQYXJYCPRDGX-ZYHUDNBSSA-N	206.285	2.801	0	1	BFAF	
Oc1ccc2c(c1)-c1ncc3c(c1CO2)CCC3	2356728559	NACSDIWKTFLUJA-UHFFFAOYSA-N	239.274	2.835	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC(=O)[C@@]2(C)O)C1(C)C	2356738341	KHKPHGFRCLTIRU-HIEKWVOZSA-N	236.355	2.645	0	1	BFAF	
C[C@H](O)Cc1nc2cccc(C(F)(F)F)c2[nH]1	586887847	AEJPUMROPLPDRR-LURJTMIESA-N	244.216	2.505	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)C[C@](C)(O)[C@@H]3C[C@]312	2356708827	DQQQGAFDHZXUFN-HJPIBITLSA-N	236.355	2.933	0	1	BFAF	
CC1(C)C[C@@H]2[C@H](CC[C@]2(C)O)[C@]2(CO)C[C@H]2C1	2356732878	COJSYKXSLPADGO-MIBAYGRRSA-N	238.371	2.582	0	1	BFAF	
O=C(O)CCSC(=O)Nc1ccccc1F	1620312	BTHRFHDDQPRMPO-UHFFFAOYSA-N	243.259	2.566	0	1	BFAF	
CCC[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C	38364022	IDOOSKYTQXTQKP-UHFZAUJKSA-N	226.316	2.532	0	1	BFAF	
CCCCc1ccc2c(c1)c(NO)cc[n+]2[O-]	95882285	ONSALAVVQFGKJD-UHFFFAOYSA-N	232.283	2.617	0	1	BFAF	
C[C@H](C(=O)c1cccc(F)c1)N1CCCCC1	45365790	UDGISDAHRCDXMV-LLVKDONJSA-N	235.302	2.883	0	1	BFAF	in-vivo
NC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)O2	101675796	HNOUEKMTZJFLFM-XOEAPDPESA-N	229.323	2.777	0	1	BFAF	
CNc1n[nH]cc1-c1nc2ccccc2s1	114400302	AANHASOUOVPYBV-UHFFFAOYSA-N	230.296	2.728	0	1	BFAF	
c1ccc(C2=Nc3ccccc3C3=NCCN23)cc1	196323155	VXZMEEWZMYYOMZ-UHFFFAOYSA-N	247.301	2.841	0	1	BFAF	
C[C@H]1CC[C@H]2[C@H](C1)[C@@H]1C[C@@H]1[C@@H]1COC(=O)[C@@]12C	238738949	ZBOYMXKAMDFKCP-GJJLGPNWSA-N	234.339	2.868	0	1	BFAF	
Cn1cc(-c2cc3c4c(cccc4n2)CC3)cn1	587211342	PQKCUKAAXGRTOA-UHFFFAOYSA-N	235.290	2.734	0	1	BFAF	
CC[C@@]1(C)C[C@@](C)(C(F)(F)F)OC1=O	1857544598	BFJKFTNDFNNWRE-YUMQZZPRSA-N	210.195	2.671	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)O[C@H](C)[C@@H](C)[C@H]2CO1	2356324060	OYRLEHIYCBZMJA-SGIHWFKDSA-N	224.300	2.514	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@H](C(C)(C)O)CC[C@@]2(C)O	15264648	NAGNILQBMVLGAF-WPLOAARJSA-N	240.387	2.971	0	1	BFAF	biogenic
Cc1nc(Cl)ccc1[C@H]1C[C@H]2CC[C@@H]1N2	28864754	CEIOZCMVGWULLM-IEBDPFPHSA-N	222.719	2.651	0	1	BFAF	
C[C@@H]1CC[C@H](c2ccoc2)N2C[C@](C)(O)CC[C@@H]12	32297236	DZKOJPWTBVWCGX-FAAHXZRKSA-N	249.354	2.966	0	1	BFAF	
CCN1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]13	58536290	QDOXGRGGXMWJPM-NFMDPKQHSA-N	205.345	2.907	0	1	BFAF	
C[C@H]1C[C@@H](C)O[C@]2(C1)C(=O)Nc1ccccc12	66156390	PUASAJJEJHCSGU-RBZYPMLTSA-N	231.295	2.669	0	1	BFAF	
C[C@@H](N=O)c1ccc2nc(N)sc2c1	958064333	GZSURLXLUVQSIY-RXMQYKEDSA-N	207.258	2.706	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@]2(O)CCC(CO)=C[C@H]12	2356387104	HMMDOUGSSLPXAX-SPWCGHHHSA-N	238.371	2.748	0	1	BFAF	
CC1=CN(CC(=O)c2ccccc2)[CH]C=C1	2356862747	JHIQDRKZQFKNLP-UHFFFAOYSA-N	212.272	2.807	0	1	BFAF	
CC1=C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H](C(C)C)C=C12	85756830	UNJJBVJUBFDZLZ-RZFFKMDDSA-N	236.355	2.667	0	1	BFAF	
CC1(C)CC(=O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@H]12)C3	238758400	VBBJXERDFBUYAW-FDRIWYBQSA-N	236.355	2.933	0	1	BFAF	
CCCCCCNn1nnc2ccccc21	1857606795	KEORVLGDGGSNJB-UHFFFAOYSA-N	218.304	2.555	0	1	BFAF	
O=C(O)CC=CCCCCCCCC(=O)O	2356586060	KOJGUMRURQVAIH-UHFFFAOYSA-N	228.288	2.833	0	1	BFAF	
CC1(C)[C@H]2CC[C@](C)(O)[C@@H]3CC[C@@](C)(O)[C@@H]3[C@H]21	6617294	DWNPMJOWAWGIMM-FIPALRBNSA-N	238.371	2.581	0	1	BFAF	
O=c1[nH]c2ccccc2c2nc3ccccc3nc12	6666481	MPMXFOFJILXUSN-UHFFFAOYSA-N	247.257	2.625	0	1	BFAF	
CCN(CC)CSc1nc2ccccc2[nH]1	13215604	OGKTXYCRUZLYFR-UHFFFAOYSA-N	235.356	2.954	0	1	BFAF	
CC[C@H](C)[C@H](C[C@@H](C(=O)O)[C@H](C)CC)C(=O)O	13378312	ANMSHEPZNSIGRK-DTIDVZRVSA-N	244.331	2.870	0	1	BFAF	biogenic
C[C@H]1CC[C@@H]2C(C)(C)C(=O)[C@]3(C)C[C@H](O)[C@]12C3	13382505	DDUWSZBURGHFEW-GLRJYAJPSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(F)ccc12	13673569	JDYWZWHJMGYGFK-SKDRFNHKSA-N	232.302	2.972	0	1	BFAF	
C[C@@H]1Oc2c(O)cc3ccc(=O)oc3c2C1(C)C	14613605	MFPPRIPAMLQSNI-ZETCQYMHSA-N	246.262	2.557	0	1	BFAF	biogenic
CCC[n+]1cccc2c1CC[C@@H]1CCC[C@@H](O)[C@@H]21	40676794	JPZCKUFDKXCMRK-APHBMKBZSA-N	246.374	2.575	0	1	BFAF	
O=C1CCc2cc(-c3cccnc3)ccc2C1	40874099	XMIVJNDWTQQRAQ-UHFFFAOYSA-N	223.275	2.806	0	1	BFAF	in-vivo
CCCN(CC)CCOC(=O)c1ccccc1	45302938	USAQAGTZNMLQKB-UHFFFAOYSA-N	235.327	2.575	0	1	BFAF	
Cc1cccc(-c2nc3cc[nH]cc-3n2)c1	100969452	NEZJNWCHKFJPRW-UHFFFAOYSA-N	209.252	2.885	0	1	BFAF	
CC[C@@]1(C)C[C@](C)(C(F)(F)F)OC1=O	1857544596	BFJKFTNDFNNWRE-JGVFFNPUSA-N	210.195	2.671	0	1	BFAF	
CC1=CCC[C@](C)(O)[C@H]2C[C@@H]2C(C)(C)C[C@H]1O	1857743356	BOAGSZAUIQYYAY-XPCVCDNBSA-N	238.371	2.891	0	1	BFAF	
CC1(C)C[C@H](O)C[C@]1(C)c1ccc(C(=O)O)cc1	2356324505	JGTUMRIHXGOGSV-SWLSCSKDSA-N	248.322	2.823	0	1	BFAF	
CC(C)CC(=O)c1cc([C@@H](C)O)ccc1O	13306664	AWFXQEZPCZDBIE-SECBINFHSA-N	222.284	2.674	0	1	BFAF	biogenic
O=C1CCc2nccc3c4ccccc4n1c23	13383080	KXBQYMQMSNZAKO-UHFFFAOYSA-N	222.247	2.776	0	1	BFAF	biogenic
FC(F)Oc1ccc2c(c1)C[C@@H]1CNC[C@H]2C1	28472263	NUQOQQYEHCYTBU-WCBMZHEXSA-N	239.265	2.537	0	1	BFAF	
CC(C)[C@@H]1CC/C(=C\Br)OC1=O	29205540	HBUCVSCEKDOHRY-IVGLGHLBSA-N	233.105	2.832	0	1	BFAF	
COc1ccc2c(c1)O[C@H](c1ccco1)CC2=O	39151361	JNTSJKLYDALISK-AWEZNQCLSA-N	244.246	2.995	0	1	BFAF	
Cn1cc2c(n1)-c1c(c3ccccc3n1C)CC2	96922153	NCBDMHAAALYYBB-UHFFFAOYSA-N	237.306	2.677	0	1	BFAF	
COc1ccc2c(-c3ccncc3)c[nH]c2n1	217063020	TZFBRBFUNGMUNQ-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
C[C@@H]1CCC(=O)[C@@H]2CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C	238783935	OAZXHCVVSKAMMX-UODPKLMKSA-N	234.339	2.853	0	1	BFAF	
Fc1ccc(OCc2nc3cccnc3[nH]2)cc1	587167916	AWAVBWFZVQRPOR-UHFFFAOYSA-N	243.241	2.676	0	1	BFAF	
C[C@@H]1C[C@H](O)C2=C(CO)C(C)(C)[C@H]3CC[C@]21C3	2356476091	APRWDYJEUYMHQR-GOMXZESMSA-N	236.355	2.502	0	1	BFAF	
c1ccc(-c2ncnn2-c2ccccc2)cc1	227273	UWVIKPAJVSOFLA-UHFFFAOYSA-N	221.263	2.934	0	1	BFAF	
COc1cc2oc(C(C)=O)cc2cc1[C@H](C)O	13306429	WAFNVCOPZBETII-ZETCQYMHSA-N	234.251	2.697	0	1	BFAF	biogenic
CC1=CC[C@]2(C)C[C@H](O)[C@](O)(C(C)C)[C@@H]2CC1	13432123	WBVHJGBFCZGJRZ-BARDWOONSA-N	238.371	2.891	0	1	BFAF	biogenic
CC1=C[C@@H]2OC(=O)[C@@H](C)[C@H]2C(=O)CC(C)=CCC1	2356577850	URFIRNUWJNYBPE-UBHSHLNASA-N	248.322	2.810	0	1	BFAF	
CN1C[C@]23Cc4ccc(O)cc4[C@@](C)(CC[C@@H]12)C3	100768732	HUBOTCKKRXYMHW-OWCLPIDISA-N	243.350	2.690	0	1	BFAF	
CCc1cc(Nc2cn[nH]n2)ccc1Cl	213578555	TYTBURQNAQDBPH-UHFFFAOYSA-N	222.679	2.764	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1O	238741262	RUGJZFZHTUVOIR-XLWJZTARSA-N	240.387	2.971	0	1	BFAF	
NC(=O)c1ccc(-c2cncc(Cl)c2)cc1	1857585754	ATCYWHKQRVKLQJ-UHFFFAOYSA-N	232.670	2.501	0	1	BFAF	
Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2	96044	KWNZYAUOWBBMJN-UHFFFAOYSA-N	245.303	2.776	0	3	BFAF	
CCN1CCOCC12C1CC3CC(C1)CC2C3	26992546	PQJXMBBNLAOJST-UHFFFAOYSA-N	235.371	2.533	0	1	BFAF	
CCCC/C=C\c1nc2c(N)ccnc2[nH]1	587965126	HAEFSAHRRAUNIM-WAYWQWQTSA-N	216.288	2.744	0	1	BFAF	
C[C@H]1C[C@H](O)C2=C(CO)C(C)(C)[C@H]3CC[C@]21C3	2356476094	APRWDYJEUYMHQR-PCVQNBPASA-N	236.355	2.502	0	1	BFAF	
CC1=C2CC(C)(C)C[C@@H]2[C@](C)(O)CC[C@H]1CO	2356721631	KKNNDPHMJQUPLA-CORIIIEPSA-N	238.371	2.892	0	1	BFAF	
CC(C)CC(=O)[C@H](O)Cc1c[nH]c2ccccc12	14691793	AYJJYONYYXAVTL-OAHLLOKOSA-N	245.322	2.687	0	1	BFAF	biogenic
CC(=O)CCCc1cc2c(cc1C)[C@H](C)[C@H](O)O2	14694231	HZTYYHWPJHBADJ-XHDPSFHLSA-N	248.322	2.721	0	1	BFAF	biogenic
COC(=O)/C=C/c1ccc2c(c1)CCC(C)(C)O2	15119502	LJVHTBSSXIJSNU-FNORWQNLSA-N	246.306	2.976	0	1	BFAF	
CC(=O)CC(=O)O[C@H]1C[C@@H](C)CC[C@H]1C(C)C	17187154	QSVQIPXQOCAWHP-DRZSPHRISA-N	240.343	2.970	0	1	BFAF	
Oc1ccc(CCc2ccc3c(c2)OCO3)cc1	26380670	ORFGNIATOXTIIH-UHFFFAOYSA-N	242.274	2.906	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)[C@@H]3CC[C@](C)(O)[C@H]3[C@@H]21	34458066	DWNPMJOWAWGIMM-YTDSDZJUSA-N	238.371	2.581	0	1	BFAF	biogenic,in-vitro
CCOC(=O)C1=C(C)[C@H](CC(C)C)C(C)=N1	72135641	PTPXVYUWDJKYRH-NSHDSACASA-N	223.316	2.960	0	1	BFAF	
Cc1cc(C(=O)O)c2ccc3[nH]ccc3c2n1	96285995	GIFOQAYRZVMXPC-UHFFFAOYSA-N	226.235	2.723	0	1	BFAF	
Cc1ccc(OCc2nc3cnccc3[nH]2)cc1	587565989	YTQWJEDOSLRJLS-UHFFFAOYSA-N	239.278	2.845	0	1	BFAF	
N[C@@H](CCSc1ccc(Cl)cc1)N=O	957861904	MGMDITPXOHTXDI-SECBINFHSA-N	230.720	2.873	0	1	BFAF	
O=C1NCCc2cc(Cc3ccccc3)ccc21	1249867078	XTAWOAMMJSXZCT-UHFFFAOYSA-N	237.302	2.563	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H]1C[C@@]1([C@H](C)CO)CC[C@@]2(C)O1	2356600578	QDCOGXJHEDTDOW-QAUDVVSPSA-N	238.371	2.989	0	1	BFAF	
CCOC(=O)C=Cc1ccc(C)cc1N=O	2356705605	WQFNOJHWPRBCCY-UHFFFAOYSA-N	219.240	2.969	0	1	BFAF	
C[C@@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2C	3629101	UPIJLTVYDZRYJT-KCPJHIHWSA-N	215.340	2.841	0	1	BFAF	
Cc1ccc2c(c1)O[C@]1(C)[C@](C)(O)CC[C@]21C	13370991	UUTNFVHOXZVUMX-KFWWJZLASA-N	232.323	2.949	0	1	BFAF	biogenic
Cc1cccc2c1[C@](C)(O)c1c(C)coc1C2=O	13380924	OKXRQISDRKEMCB-HNNXBMFYSA-N	242.274	2.697	0	1	BFAF	biogenic
CC1(C)CC(=O)O/C(=C/Br)C1	29206631	JFSMJDXEJHZQBD-AATRIKPKSA-N	219.078	2.586	0	1	BFAF	
C[C@@H]1C=C(CO)C(CO)=C[C@@H]2CC(C)(C)C[C@@H]12	32183481	YFVJPBYYCUEIKS-GYSYKLTISA-N	236.355	2.526	0	1	BFAF	biogenic,in-vitro
NNc1ncnc2cc(-c3ccccc3)sc12	34539253	XZBIHXPPMPPFJG-UHFFFAOYSA-N	242.307	2.644	0	1	BFAF	
CC(C)[C@@H](c1nc2ccc(O)cc2[nH]1)N(C)C	587199199	ZQNYVQHTCMAGOO-LBPRGKRZSA-N	233.315	2.527	0	1	BFAF	
Clc1c[nH]c2nc(C=C3CCC3)nc-2n1	587964792	IBJNEAUPWXLJTN-UHFFFAOYSA-N	220.663	2.525	0	1	BFAF	
C/C=C/[C@@H]1c2cc(OC)c(OC)cc2CCN1C	1772645844	QSZOJEHHULLHIU-URWSZGRFSA-N	247.338	2.809	0	1	BFAF	
CC(C)C(=O)N1N=CC[C@@H]1c1ccccc1	1857580394	GYEXJXFNDIJKJY-GFCCVEGCSA-N	216.284	2.602	0	1	BFAF	
C=C(C)[C@@H]1CC[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@H]2C	14509697	XNIBIEVBMJDRPE-UXOAXIEHSA-N	234.339	2.875	0	1	BFAF	biogenic
O=c1cc(C(F)(F)F)c2cc(F)c(O)cc2o1	26838334	MVPUSEPONWSARE-UHFFFAOYSA-N	248.131	2.657	0	1	BFAF	
CCc1ccccc1C(=O)OC1CCN(C)CC1	29315176	SANRTBZZHDSMOX-UHFFFAOYSA-N	247.338	2.500	0	1	BFAF	
Cc1ccn(Cc2cc3c4c(cccc4n2)CC3)n1	587211607	UQAZRMFLCPAZNR-UHFFFAOYSA-N	249.317	2.887	0	1	BFAF	
O=C1C=CC[C@H]([C@@H]2C[C@H]2c2ccccc2)O1	1772572224	ROWVDUYSPYFOQF-YNEHKIRRSA-N	214.264	2.662	0	1	BFAF	
CC=C[C@@H]1C[C@H](C)[C@]2(C=C[C@](C)(O)CC2)O1	2356867467	WRZUFIHOTBWJST-RFQIPJPRSA-N	222.328	2.827	0	1	BFAF	
CCN(CC)c1nc(-c2ccc(OC)cc2)no1	20996784	OPFATJPJOBZLTR-UHFFFAOYSA-N	247.298	2.591	0	1	BFAF	
Clc1ccc2c(n1)CC[C@H]1[C@@H]2[C@H]2CC[C@H]1N2	253639140	YFIIBDQLLAQNAF-IBDKYWQNSA-N	234.730	2.515	0	1	BFAF	
CC(=CC(=O)O)CCC=C(C)CCC(=O)O	2356474775	DCSNNHVJJADJBX-UHFFFAOYSA-N	226.272	2.609	0	1	BFAF	
CC1=CC[C@@]23C[C@H]1C[C@](C)(O)[C@@H]2[C@H](O)C[C@@H]3C	2356718909	KCUAHALVFZQCSG-RHTUOURWSA-N	236.355	2.501	0	1	BFAF	
COc1c2c(cc3cccc(O)c13)C(=O)O[C@@H]2C	15150329	IWUVUCGZHFPCHH-SSDOTTSWSA-N	244.246	2.785	0	1	BFAF	biogenic
CC1=CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H](O)[C@@H]12	15208244	LBZDGNDASDARLL-KYEXWDHISA-N	238.371	2.891	0	1	BFAF	biogenic
COC(=O)/C=C\[C@@H]1c2ccccc2[C@H](OC)[C@H]1C	73096388	CMKYBWAWPBVWFW-DSTTYJPASA-N	246.306	2.837	0	1	BFAF	
O=S1(=O)C=Cc2c(ccc3ccccc23)O1	95581639	CTICYRBFRXPYCJ-UHFFFAOYSA-N	232.260	2.533	0	1	BFAF	
COc1cc(OC)c2[nH]c(C3CCC3)nc2c1	586883839	HAJUXRRATCOXPT-UHFFFAOYSA-N	232.283	2.848	0	1	BFAF	
Fc1cnc2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2c1	587092246	BNQMIADHRXCLSP-WDSKDSINSA-N	245.179	2.763	0	1	BFAF	
CC(C)Oc1ccc2nc([C@H]3CC[C@@H]3N)[nH]c2c1	587246025	BEUHSAPXXHCYSI-QWRGUYRKSA-N	245.326	2.555	0	1	BFAF	
CC[C@H](C)[C@@H](C)OCN1C=CN(C)C1=CN=O	1857539544	RYXHWAQIUHASNX-WDEREUQCSA-N	239.319	2.679	0	1	BFAF	
C[N+]1=CC=N[C@H]1/C=C/c1cccc2ccccc12	28224229	MJWPZUSBWAWVKC-ZNFPLGDCSA-N	235.310	2.977	0	1	BFAF	
CN(C)C[C@H]1C[C@@H]1c1cncc2ccccc12	28960180	LOCUTCDCZZSFNM-OCCSQVGLSA-N	226.323	2.900	0	1	BFAF	
CO[C@]1(C)Cc2ccc(C(C)C)c(O)c21	222123640	SYTXBDSDEYXPEO-CYBMUJFWSA-N	206.285	2.933	0	1	BFAF	
CCc1ncc(OC)c2c1[nH]c1cccc(O)c12	238766891	BOZWZMBLYDHRAO-UHFFFAOYSA-N	242.278	2.993	0	1	BFAF	
CCO[C@@H]1CC(C)=NN1c1ccccc1	2178320061	CXOWIMHTMLXDDK-GFCCVEGCSA-N	204.273	2.635	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CC[C@@](C)(C2)[C@H]1O)CO	2356696096	HXGLSGRFISFKKO-XGUBFFRZSA-N	238.371	2.892	0	1	BFAF	
CC[C@H](C)c1ncc(Cc2ccccc2)[nH]c1=O	2356803284	WXBFTDAYFIQSSK-NSHDSACASA-N	242.322	2.874	0	1	BFAF	
Cc1ccc(O)c2[nH]c(Cc3cccnc3)nc12	26288848	DHVGTFULKJGATP-UHFFFAOYSA-N	239.278	2.563	0	1	BFAF	
CCCN1CCC=C2c3cc(O)ccc3OC[C@H]21	27849129	GOAIESIEBXUUKO-CQSZACIVSA-N	245.322	2.652	0	1	BFAF	
CC(C)[C@H]1C=C2[C@](C)(O)CC[C@@H](O)[C@]2(C)CC1	85757996	AXHPSQVHJYJJBZ-NMFUWQPSSA-N	238.371	2.891	0	1	BFAF	
O=C1C[C@@H](Sc2ccccc2C(F)(F)F)N1	299871570	YRAPWCHPLGGFMU-SECBINFHSA-N	247.241	2.644	0	1	BFAF	
CC1(C)OC(=O)C[C@H]1c1nc2ccc(F)cc2[nH]1	586912165	UXLAIAZLVFAWPI-QMMMGPOBSA-N	248.257	2.511	0	1	BFAF	
COc1cccc([C@H](C)CCN(C)C)c1	1772599141	DDLANMHZUBIFMS-LLVKDONJSA-N	207.317	2.750	0	1	BFAF	
O=Cc1c(O)ccc2oc(-c3ccco3)nc12	1857557001	GLFYHUKXWYOIOY-UHFFFAOYSA-N	229.191	2.606	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@@H](O)[C@H]2C1	2356747564	DSIAMBWSIUQISV-DGAVXFQQSA-N	224.344	2.501	0	1	BFAF	
COC(=O)/C=C1\O[C@H](C2CC2)c2ccccc21	95600472	HQSQZRNLPPOASB-ICDLMJIXSA-N	230.263	2.682	0	3	BFAF	
C[C@@H]1C(=O)C=C2C=C3C(=O)C(C)(C)C[C@H]3[C@]21C	14439648	SIDZVYUQRUPESE-UQHVFFSPSA-N	230.307	2.693	0	1	BFAF	biogenic
C[C@@H]1[C@H](O)C[C@@H]2C(C)(C)C[C@@]3(C)C(=O)C=C[C@@]123	14708936	LOVJMLMJWOZEKM-VIDBKGRSSA-N	234.339	2.565	0	1	BFAF	biogenic
Cc1cc(=O)oc2cc(-n3cccc3)ccc12	73360865	XBIFBLSDLYCEAT-UHFFFAOYSA-N	225.247	2.892	0	1	BFAF	
COC(=O)CCCC(=O)c1coc2ccccc12	587280623	NLPCDRHHWFSBBE-UHFFFAOYSA-N	246.262	2.959	0	1	BFAF	
CCSCC[C@@H]1NCCc2ccc(O)cc21	963343437	WBWJNURASTXYRQ-ZDUSSCGKSA-N	237.368	2.722	0	1	BFAF	
CC/C=C/CCOCN1C=CN(C)C1=CN=O	1857539322	WGIPWXKYUNLUQJ-ZXXRXTDPSA-N	237.303	2.601	0	1	BFAF	
COc1c(CCCC(C)C)coc(=O)c1C	1857769090	NGJFDQUMHQRKKO-UHFFFAOYSA-N	224.300	2.936	0	1	BFAF	
C=CC1=C(C(=CC)CO)[C@](C)(CO)CC1(C)C	2356393133	BHNACKMCMDASDB-HNNXBMFYSA-N	236.355	2.836	0	1	BFAF	
CC[C@H](C)[C@H]1CN=C(N)N1CC1CCCCC1	12727006	QFMIRORLTBGYDS-WCQYABFASA-N	237.391	2.612	0	3	BFAF	
CN(c1ccncc1)n1ccc2ccccc21	3997	DZLHSFJMKLMKMN-UHFFFAOYSA-N	223.279	2.936	0	1	BFAF	in-vivo
CCC[C@H]1NCCc2c1[nH]c1ccc(O)cc21	14724473	JNGJWVGYTMTZMD-CYBMUJFWSA-N	230.311	2.860	0	1	BFAF	biogenic
CC1(C)CCC[C@@]1(C)[C@H]1C=C[C@](C)(O)[C@H](O)C1	14948216	ARHSYZHJIIRPIL-NEBZKDRISA-N	238.371	2.891	0	1	BFAF	biogenic
O=C1C[C@H](O)C[C@H](c2cccc3ccccc23)O1	25978296	WWHHHEXXMKKKRD-BXUZGUMPSA-N	242.274	2.579	0	1	BFAF	
Clc1cc([C@@H]2C[C@H]3CC[C@@H]2N3)cnc1Cl	29544668	LYYHSRQOEYGVSA-WEDXCCLWSA-N	243.137	2.996	0	1	BFAF	
CC[C@@H](CCn1cncn1)c1ccc(OC)cc1	103214242	XTFHBRLCGCCBDB-LBPRGKRZSA-N	245.326	2.871	0	1	BFAF	
O[C@@]1(C(F)(F)F)C[C@H](c2ccccc2)N=N1	169697569	PBVXMRBQTWJHIB-RKDXNWHRSA-N	230.189	2.835	0	1	BFAF	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C2	523041727	FUBMXMWHBVRNBM-UNNXFLIFSA-N	248.322	2.799	0	1	BFAF	biogenic
CC1(C)[C@H]2CC=C(CN3CCC[C@H](CO)C3)[C@@H]1C2	217781	PDCQVXFZCJZERL-QEJZJMRPSA-N	249.398	2.683	0	1	BFAF	
N[C@@H]1C[C@@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12	977266	PXBYQBLMVYZPGE-KVQBGUIXSA-N	243.203	2.711	0	1	BFAF	
CCOC1=NC(=O)C[C@@H](c2ccccc2)S1	5812014	NJZDXTWIUZBSOT-JTQLQIEISA-N	235.308	2.784	0	1	BFAF	
CCCN1CCc2cc3ccccc3n2CC1	13535380	JYGINDGSAFNALQ-UHFFFAOYSA-N	228.339	2.909	0	1	BFAF	
C=CC1=C(/C(=C\C)CO)[C@@](C)(CO)CC1(C)C	14693523	BHNACKMCMDASDB-UJNBGNEJSA-N	236.355	2.836	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)C1	15264988	BTMJNLJGHRFXRA-HBEIAFGSSA-N	238.371	2.891	0	1	BFAF	biogenic
C1=C(c2cccs2)CC[N+](C2CC2)=C1	27199087	STQAFLQFDFMZMO-UHFFFAOYSA-N	204.318	2.781	0	1	BFAF	
C[C@]1(N2CCCCC2)c2ccccc2CC[C@@H]1O	28767735	RKIZBVCWHHPLCS-HOTGVXAUSA-N	245.366	2.695	0	1	BFAF	
CN[C@@]12CCCC[C@H]1CC(=O)c1ccccc12	29571800	VBXDXDDQEIUQGX-NHYWBVRUSA-N	229.323	2.878	0	1	BFAF	
COC(=C\C(=O)O)/C=C/C=C/c1ccccc1	169454051	UEXUYEGMVWZTNW-SGVXJMMUSA-N	230.263	2.871	0	1	BFAF	
C(=C\c1nc2cncnc2[nH]1)\c1ccsc1	587025072	FQHLHHXKQFSSES-UPHRSURJSA-N	228.280	2.585	0	1	BFAF	
Oc1ccc(C=Cc2ccc(O)cc2O)cc1	2356394911	IXJPPNJJWDTLQX-UHFFFAOYSA-N	228.247	2.974	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@@H]1C[C@H](O)C=C[C@H]1O	2356407226	SUVNWYDXCRSEDC-RFQIPJPRSA-N	224.344	2.667	0	1	BFAF	
CCC[C@H](C)C=C1CN2CCC[C@@H]2[C@@](C)(O)C1	2356743740	ZQWCTWAOPTYJIS-CFVMTHIKSA-N	237.387	2.968	0	1	BFAF	
O=c1ccc2c(-c3cccnc3)cccc2[nH]1	26170631	QUWFKNUETFXCJY-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
CCCN[C@H]1CCc2c(ccc(C)c2O)C1	27860328	QBQZYWZPEHRKCJ-LBPRGKRZSA-N	219.328	2.558	0	1	BFAF	
COc1ccc2c(c1)nc(O)n1cc(C)cc21	29232012	NEESQLZGQSSEBB-UHFFFAOYSA-N	228.251	2.510	0	1	BFAF	
CC(=O)Oc1ccc([C@@H](O)c2ccccc2)cc1	40395000	UBZRZJFNOYHEIK-HNNXBMFYSA-N	242.274	2.694	0	1	BFAF	
CC1(C)C[C@H]2[C@@H](CC[C@]2(O)CO)[C@]2(C)C[C@@H]2C1	165712344	ZOWNLLHBAMMPJZ-OEMOEHNSSA-N	238.371	2.582	0	1	BFAF	
Cc1ccc(C[C@@]2(C)SC(=O)[C@@H](C)C2=O)cc1	169717850	MNYRRFBCVIIAEC-IINYFYTJSA-N	248.347	2.775	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1	586917851	WMNWPAWNTIGCLZ-CLTAVNFZSA-N	244.081	2.725	0	1	BFAF	
CC(C=CC(=O)O)=CC=CC=C(C)C=CC(=O)O	2356494175	UXBCAWHJMZPSBQ-UHFFFAOYSA-N	248.278	2.717	0	1	BFAF	
CC(=O)c1c(N)nc(-c2ccccc2)[nH]c1=S	4034807	MYASUYIITPVZLT-UHFFFAOYSA-N	245.307	2.591	0	3	BFAF	
Cc1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[S@@](=O)N2	13135539	SNZUAMJDPKNTCJ-CHTNBLKISA-N	247.363	2.966	0	1	BFAF	
CC(=O)c1ccc(C2=CN3CCC2CC3)o1	13766603	LSYQABJIACQBKK-UHFFFAOYSA-N	217.268	2.549	0	1	BFAF	
C[C@@H]1CC[C@H]2C[C@]3(OC2(C)C)[C@H]1CC[C@@H]3CO	15160943	ABYYDYWFVSHNAX-GEJOOGBSSA-N	238.371	2.989	0	1	BFAF	biogenic
CCCN[C@H]1Cc2cc(OC)ccc2C[C@H]1C	29488950	YXUBHKBRUDGXPC-ABAIWWIYSA-N	233.355	2.798	0	1	BFAF	
O=C(O)c1cc(-c2ccccc2)cc(F)c1O	64448745	TWDUDGDZLVAYPU-UHFFFAOYSA-N	232.210	2.897	0	1	BFAF	
CNc1nnc(-c2cccc(C(F)(F)F)c2)o1	96935120	PWFIJMPWDWETPW-UHFFFAOYSA-N	243.188	2.797	0	1	BFAF	
CC(C)c1[nH]n(C)c2nc(C(C)(C)C)nc1-2	103590978	ITBWRRBFHQWAQQ-UHFFFAOYSA-N	220.320	2.669	0	1	BFAF	
N[C@H](N=O)c1ccc2nc(C3=CCCC3)[nH]c2c1	586884579	RDJXIGYXFYXLIA-GFCCVEGCSA-N	242.282	2.854	0	1	BFAF	
Cc1cc(C)c2[nH]c([C@@H]3O[C@H]3C)nc2c1	586917695	VHPOYHUTGWUXIY-GZMMTYOYSA-N	202.257	2.640	0	1	BFAF	
C[C@@H](F)[C@H](N)c1nc2ccc3c(c2[nH]1)CCCC3	587126060	VKIDCARAZFLJIP-PELKAZGASA-N	247.317	2.800	0	1	BFAF	
CC(C)[C@@H](N)c1cc2c3c(cccc3n1)CC2	587210756	GZABLFXHAKEFDD-OAHLLOKOSA-N	226.323	2.989	0	1	BFAF	
O=c1cc(-c2ccoc2)oc2cc(O)ccc12	653739759	MNIOPGBSQASQQA-UHFFFAOYSA-N	228.203	2.759	0	1	BFAF	
Cc1cccc2cc3c(c(O)c12)C(=O)CC[C@@H]3O	2356322785	AYAHSISUGGHKQM-NSHDSACASA-N	242.274	2.864	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)c3cnccc3[C@](C)(O)[C@@H]2C1	2356636299	CCLDZVYWGHUMES-UAKXVISKSA-N	245.322	2.538	0	1	BFAF	
O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)c1ccccc1	1100776	GGRGOXDLLVXREZ-VOAKCMCISA-N	244.290	2.616	0	1	BFAF	
C=C1CCC(=O)[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]12C	14619314	ACJFMILVVPRTRP-CORIIIEPSA-N	246.306	2.564	0	1	BFAF	biogenic
CN1CCC=C(c2c[nH]c3ccccc23)C1	26743883	FGDPQFSPGVCDJP-UHFFFAOYSA-N	212.296	2.887	0	1	BFAF	
CC1(C)C[C@H]2[C@H](C=C(CO)[C@]3(O)CC[C@]23C)C1	34567088	GYJKRLXBILQJJZ-DZGBDDFRSA-N	236.355	2.502	0	1	BFAF	
CN1CCCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]13	58528751	YHYGFDSOGXVEJJ-NFMDPKQHSA-N	205.345	2.907	0	1	BFAF	
CC(=O)O[C@@H]1CCCC[C@@H]1Nc1ccccc1	103278548	VPIZNHATCOSMLT-UONOGXRCSA-N	233.311	2.973	0	1	BFAF	
CC1=C([C@@](C)(O)CO)CCC2=CCC[C@H](C)[C@H]21	238746093	UVGQAUJBBOTIHR-LKTVYLICSA-N	236.355	2.813	0	1	BFAF	
CCCCCn1c(N)nc2c(O)cccc21	299827628	GTGLJAUATCVCSW-UHFFFAOYSA-N	219.288	2.514	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)F)O2	587383228	RSOYHKVPPADINT-GFCCVEGCSA-N	241.237	2.566	0	1	BFAF	
COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCO1	13517760	DTGCWKSRSZRKRD-STQMWFEESA-N	234.295	2.512	0	1	BFAF	
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(F)cccc12	13673567	VCCPIFXWHLLCQB-KOLCDFICSA-N	232.302	2.972	0	1	BFAF	
O=C1Nc2ccccc2/C1=C/c1n[nH]cc1Cl	13780174	GWLUGYITWVGWFU-YVMONPNESA-N	245.669	2.556	0	1	BFAF	
Cc1cc2c(cc1O)[C@H](C)C=C[C@H](C(C)(C)O)O2	15153292	WYQLDPBFXNVPJE-YMTOWFKASA-N	248.322	2.892	0	1	BFAF	endogenous,in-man
Fc1ccc2c3c1c1c(n3CCNC2)CCCC1	26576078	KQOKDBGMOCOKGQ-UHFFFAOYSA-N	244.313	2.762	0	1	BFAF	
CC(C)(CCCCCCn1ccnc1)C(=O)O	36242101	AXHFQLOIURVULS-UHFFFAOYSA-N	238.331	2.944	0	1	BFAF	
Clc1ccc2c(n1)CN1[C@H]3CC[C@@H]1[C@@H]2C3	137822305	IMTFYHGMSYRWOU-JVUFJMBOSA-N	220.703	2.569	0	1	BFAF	
COC(=O)c1cc2c(OCC(C)C)cccc2[nH]1	169349110	MGEDXXJQBIVDNV-UHFFFAOYSA-N	247.294	2.989	0	1	BFAF	
C[C@@H]1c2c(nc3cccc4c3c2CC4)CC[C@H]1O	587215975	QILSMPWDYFOOBW-LKFCYVNXSA-N	239.318	2.744	0	1	BFAF	
Cc1c(F)ccc2nc([C@H]3CC[C@@H](N)C3)[nH]c12	587246933	KHYMRHZNTVTWQM-DTWKUNHWSA-N	233.290	2.605	0	1	BFAF	
Cc1[nH]c2cc(F)ccc2c1Cn1cccn1	587635812	NRIWDOOHOMBKGI-UHFFFAOYSA-N	229.258	2.860	0	1	BFAF	
CO[C@H](C)[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21	963111043	QXHFOMHCZGYRRJ-IFUGULHKSA-N	249.329	2.922	0	1	BFAF	
C/C1=C\CC/C(CO)=C\[C@H]2[C@@H](CC1)[C@]2(C)CO	139836558	DCQFUTANYUEHLR-QAFSZGABSA-N	236.355	2.670	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C1)OC(C)(C)C[C@@]2(C)O	1857637183	KDKZKKFLICQAAI-HNCHTBHHSA-N	212.333	2.741	0	1	BFAF	
Nc1oc2cnccc2c1Nc1cccnc1	1857650577	UEOQMGJAPSTUGH-UHFFFAOYSA-N	226.239	2.549	0	1	BFAF	
OC1=Nc2ccc(F)cc2/C1=N\N1CCCCC1	10825643	RCCHQLIHHROELR-UHFFFAOYSA-N	247.273	2.617	0	1	BFAF	
CCCN(CCC)[C@@H]1CCc2c(ccn2C=O)C1	13642192	XTKNAIQXSUEZPU-CQSZACIVSA-N	248.370	2.506	0	1	BFAF	
Cc1ccc(/C=C\C(=O)n2ccnc2)s1	26403767	DDRUSAFXXZRMIR-PLNGDYQASA-N	218.281	2.607	0	1	BFAF	
Clc1ccc2c(n1)CN1[C@H]3CC[C@@H]1C[C@@H]23	28864699	IMTFYHGMSYRWOU-HDBBIHSSSA-N	220.703	2.569	0	1	BFAF	
OCc1cc(F)c(-c2ccc(O)cc2)c(F)c1	29414419	FBGCSAGXULENAX-UHFFFAOYSA-N	236.217	2.830	0	1	BFAF	
C[C@@]12CC[C@H]3CC(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O	29482217	HHPUADWBUUWGBY-QXALJWCJSA-N	222.328	2.543	0	1	BFAF	
CC(C)(CCCCn1ccnc1)CCC(=O)O	36242055	BWXUXBGBRSWVGY-UHFFFAOYSA-N	238.331	2.944	0	1	BFAF	
CC(=O)O[C@@H](C)C(=O)c1coc2ccccc12	587280987	MROCSJNXRSFALC-QMMMGPOBSA-N	232.235	2.567	0	1	BFAF	
C[C@]12CCC(=O)N1c1cc(Cl)ccc1N2	5810174	VOBJZTFKYMSUEI-LLVKDONJSA-N	222.675	2.609	0	1	BFAF	
C[C@]1(CF)SCc2nc3ccccc3n21	13216369	FTUMZDSGDPCRTF-LLVKDONJSA-N	222.288	2.925	0	1	BFAF	
COc1cc(C=Cc2cccc(=O)o2)ccc1O	13340558	PLGPNUVAFQBTFC-UHFFFAOYSA-N	244.246	2.524	0	1	BFAF	biogenic
CCSc1nc2sc(C)c(C)c2c(=O)o1	13779502	KAMWWWFNGJUCBD-UHFFFAOYSA-N	241.337	2.978	0	1	BFAF	
CC1=CC[C@@]2(C)C[C@H](O)[C@@](O)(C(C)C)[C@@H]2CC1	27846493	WBVHJGBFCZGJRZ-CBBWQLFWSA-N	238.371	2.891	0	1	BFAF	in-vitro
CCCC[C@@H]1[C@H](O)CCC[C@@]12CCCCN2	28005288	YJEQGBHTTODACM-MCIONIFRSA-N	225.376	2.850	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1[C@@H](O)CCC[C@H]21	40442181	QVONKCBUMIKHBA-INWMFGNUSA-N	246.374	2.575	0	1	BFAF	
Oc1ccc(/C=C/c2cc(O)ccc2O)cc1	72116309	ORQPEHPLPTVVDX-DAFODLJHSA-N	228.247	2.974	0	1	BFAF	
C[C@H]1N(C)[C@H]2CCC[C@@]1(c1ccccc1O)C2	101146409	ZQDMWUXJVWNBMN-TYNCELHUSA-N	231.339	2.907	0	1	BFAF	
COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccccc1)O2	102016932	VEWNLDNSIXATRX-RFQIPJPRSA-N	246.306	2.511	0	1	BFAF	
Cc1nc(-n2nc(C)c(C)c2C)nc(C)c1C	103170909	XCSZZIJFASTZHO-UHFFFAOYSA-N	230.315	2.513	0	1	BFAF	
CC/C=C/C[C@]1(C)SC(=O)[C@@H](C)C1=O	169719246	HFBDIZKDKSFWDK-QWHXQGDASA-N	212.314	2.580	0	1	BFAF	
O=C1CCC[C@H](c2nc3ccc(O)cc3[nH]2)CC1	586883421	BXPLHSYHEMHSOF-VIFPVBQESA-N	244.294	2.885	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1	586892813	WUBFPWOMBJNPHZ-YMTOWFKASA-N	242.326	2.751	0	1	BFAF	
CCCc1ccc(O)c(-c2cc[nH]n2)c1	1857540914	IPJHONRXGCLDGY-UHFFFAOYSA-N	202.257	2.735	0	1	BFAF	
O=C1[C@@H]2CC=CC=C[C@@H]2N1Cc1ccccc1	28131268	UUCXLVWVLOWJOY-KGLIPLIRSA-N	225.291	2.530	0	1	BFAF	
Cc1cccc2nc(-c3cccnc3)oc(=O)c12	42963422	IAAIIUZOBSSGHE-UHFFFAOYSA-N	238.246	2.558	0	1	BFAF	
CC(C)(Cl)c1nc2ccc(CCO)cc2[nH]1	587007618	HCZCUQLMWJCLCQ-UHFFFAOYSA-N	238.718	2.572	0	1	BFAF	
C[C@@H]1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1	3776903	OJCJIVYNZFHBOS-UEKVPHQBSA-N	240.350	2.933	0	1	BFAF	
C1=C2C3=[N+](CCCC3)C[C@H]2Cc2sccc21	6585058	NJMINJSYHAVGDC-LLVKDONJSA-N	230.356	2.955	0	1	BFAF	
Clc1cccc2c1C[C@@H](C[C@@H]1CN=CN1)CC2	13862093	BMPZSZPBZNKNFC-ZYHUDNBSSA-N	248.757	2.835	0	1	BFAF	
Fc1cccc2c3c([nH]c12)-c1n[nH]cc1CC3	96922160	UAPQGRYVUMKKAF-UHFFFAOYSA-N	227.242	2.796	0	1	BFAF	
COc1cc(CCN)c(OC)c2c1[C@@H]1CC[C@@H]2C1	100066416	ASPWVWSIJQTXDB-NXEZZACHSA-N	247.338	2.570	0	1	BFAF	
CC1(C)N=C(c2ccccc2F)N([O])C1(C)C	101435588	LZCQAZICCPCLOG-UHFFFAOYSA-N	235.282	2.791	0	1	BFAF	
C[C@@H]1N[C@@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@H]21	169372545	FMBYQEIJDWNYNT-AWIACXBESA-N	228.339	2.815	0	1	BFAF	
CCn1c(-c2ccccn2)nc2cnccc21	217879177	BCWGHJXSHITJPK-UHFFFAOYSA-N	224.267	2.513	0	1	BFAF	
Cc1ccc2c(c1)O[C@]1(CO)[C@@H](C)CC[C@@]21C	13370973	YPYIICNUEFDNGL-TUKIKUTGSA-N	232.323	2.806	0	1	BFAF	biogenic
C[C@@H]1C(=O)C=C2[C@@H]1CC(C)(C)C(=O)[C@@H]1C[C@@]21C	14415164	JMDSVFSLIQKRFD-NVZXWFNYSA-N	232.323	2.773	0	1	BFAF	biogenic
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC(=O)C(C)=C3C[C@@H]12	14619389	BPLQJGDRWSHVJJ-PSOPSSQASA-N	246.306	2.564	0	1	BFAF	biogenic
Cc1cc2c(cc1O)[C@@H](C)C=C[C@@H](C(C)(C)O)O2	15153289	WYQLDPBFXNVPJE-XPTSAGLGSA-N	248.322	2.892	0	1	BFAF	endogenous,in-man
CC1=CC[C@@H](C)O[C@@]2(C1)C(=O)Nc1ccccc12	36381969	LWPFZBGVRKZALW-IAQYHMDHSA-N	243.306	2.979	0	1	BFAF	
CN(C)CS[C@H]1Nc2ccccc2S1	45288091	WLWHTNTTYDRJIG-SNVBAGLBSA-N	226.370	2.740	0	1	BFAF	
C[C@@H](c1ccccn1)c1ccc(O)cc1O	147037859	CYRWJYDRTMCKNV-SECBINFHSA-N	215.252	2.645	0	1	BFAF	
C[C@H]1C(=O)S[C@](C)(CCc2ccccc2)C1=O	169719188	NDVCLVVVPXPPLD-QMTHXVAHSA-N	248.347	2.857	0	1	BFAF	
CCCC/C=C\CCCCOS(=O)(=O)O	205364093	RFESJZXTILAJHV-WAYWQWQTSA-N	236.333	2.723	0	1	BFAF	
CCc1nccc2c3ccccc3n(OC)c12	238761638	VQQNMIJUWWDDNB-UHFFFAOYSA-N	226.279	2.810	0	1	BFAF	
CC(C)[C@@](C)(O)c1nc2ccc(F)cc2[nH]1	586886640	GHSUPJILKCIUCO-GFCCVEGCSA-N	222.263	2.566	0	1	BFAF	
Cc1cccc2nc(C3=COCC3)[nH]c12	586911851	AFOSMLJPLQJOMW-UHFFFAOYSA-N	200.241	2.633	0	1	BFAF	
COc1cc2c3c(c1)O[C@H](CC(C)C)[C@@H](C2)C3=O	587445763	OGUBPZYHTFMSAO-VXGBXAGGSA-N	246.306	2.857	0	1	BFAF	
CCOC(=O)C1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@@H]2C1	653670283	MOGRTXHBIPWFGN-LSKIRQOJSA-N	208.301	2.622	0	1	BFAF	
CCc1cc2c(nc1CC)CCCN2C	199726415	DCWHPMHPPMJHRE-UHFFFAOYSA-N	204.317	2.589	0	3	BFAF	
CN(C)c1ccc(-c2ccc(CCO)cc2)cc1	36382774	WFGARZRFZWUCFZ-UHFFFAOYSA-N	241.334	2.954	0	1	BFAF	
CO[C@@]1(c2ccccc2)[C@H]2CCC[C@@H]1CN(C)C2	100063064	YFFNPIAPUDUYAU-MUJYYYPQSA-N	245.366	2.890	0	1	BFAF	in-man
CO[C@]1(c2ccccc2)[C@H]2CCC[C@@H]1CN(C)C2	100063066	YFFNPIAPUDUYAU-ZSHCYNCHSA-N	245.366	2.890	0	1	BFAF	in-man
C/C1=C\[C@@H](O)[C@H](O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C	238773040	HMLUAIQJVMUHKN-OOLBJWLVSA-N	236.355	2.667	0	1	BFAF	
C=C1Nc2ccc(Br)cc2C(=O)O1	957575756	IKLQWWQQEWMRFT-UHFFFAOYSA-N	240.056	2.503	0	1	BFAF	
CCN1CCCC(=O)c2[nH]c3ccccc3c2C1	1857602784	YOEODKRTUXVJJS-UHFFFAOYSA-N	242.322	2.966	0	1	BFAF	
C=CC1=C(C)[C@]2(C)[C@H](C)[C@H](O)C[C@@]2(C)[C@H](O)C1	2356784824	QHDOCMQUXQLGTK-DVLUHMITSA-N	236.355	2.667	0	1	BFAF	
CCN1C[C@@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C	13152316	XLCYCZFQMQVQNF-VNHYZAJKSA-N	233.355	2.624	0	1	BFAF	
N=C(Nc1ccc(CCN)cc1)c1cccs1	13487050	RTAGVIBRIOCEES-UHFFFAOYSA-N	245.351	2.687	0	1	BFAF	
COc1cc2cc(OC)c3occc3c2oc1=O	15222042	YKWJIXYVRWNDRX-UHFFFAOYSA-N	246.218	2.556	0	1	BFAF	biogenic,in-vitro
COc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1	26745214	ISHNBMGHXDIRTF-UHFFFAOYSA-N	242.322	2.895	0	1	BFAF	
CCNc1nc2ccc3oc(=O)ccc3c2s1	40379796	FEMWZBAEMANNEI-UHFFFAOYSA-N	246.291	2.835	0	1	BFAF	
CC[C@@]1(O)C2=NCC(C)(C)CN2c2ccccc21	40640563	VRNNDBDRCPXHIY-HNNXBMFYSA-N	244.338	2.543	0	1	BFAF	
Clc1ccccc1Oc1ccc2nncn2n1	49050486	PFYRZTRMNQCWIV-UHFFFAOYSA-N	246.657	2.570	0	1	BFAF	
CN1CCC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3C1	253670281	YXIUYPRXQHZXHQ-RGLKLLMLSA-N	205.345	2.764	0	1	BFAF	
COc1cc(-c2c[nH]c3cnccc23)ccn1	1772646248	TZOGPSCNLFATRU-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
Cc1ccc([C@@](C)(O)CC=CC(C)(C)O)cc1	2356425810	SPZUMECVMNZCHK-HNNXBMFYSA-N	234.339	2.920	0	1	BFAF	
Cc1ccccc1C(=O)[C@H]1CCCC[C@@H]1O	1613657	YKTWQAXNOMZIKM-STQMWFEESA-N	218.296	2.729	0	1	BFAF	
Cc1cccc(Cc2[nH]c(=S)[nH]c(=O)c2C)c1	13742885	IWFDKCRTOJWAKO-UHFFFAOYSA-N	246.335	2.640	0	1	BFAF	
O=C(O)[C@H]1C=CC(SC(F)(F)F)=CC1	26255339	RWXYHTVQAIPPIF-YFKPBYRVSA-N	224.203	2.784	0	1	BFAF	
CCC(=O)O[C@H]1C[C@@H]2C[C@H]1[C@@H]1C=CC[C@@H]21	100051217	ZPFJBPIFMMENKC-SVNGYHJRSA-N	206.285	2.540	0	1	BFAF	
Oc1cc(-c2ccc(F)c(Cl)c2)cnc1O	473247956	KLZFNBXYOSUWEZ-UHFFFAOYSA-N	239.633	2.952	0	1	BFAF	
Cc1cccc2nc([C@@H](O)CC(C)C)[nH]c12	586901645	UVLUULGEAHUESF-NSHDSACASA-N	218.300	2.951	0	1	BFAF	
CC[C@H](C)c1nc2ccc(CO)cc2[nH]1	587956234	OUWKBSZTFBEUMZ-QMMMGPOBSA-N	204.273	2.569	0	1	BFAF	
CC1=CN(Cc2ccc(F)cc2)[C](N)C=C1	2356829044	DGXZYZWSXOMWFW-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
C[C@@H]1[C@H](O)CCN[C@@H]1/C=C\C=C\c1ccccc1	13453995	BDDSGELKWZUGTC-ACGVEQANSA-N	243.350	2.615	0	1	BFAF	
NC(=O)C1=CC2c3ccccc3C1c1ccccc12	58649679	FTFKBFCCOOANRM-UHFFFAOYSA-N	247.297	2.689	0	1	BFAF	
C[C@@H](SC[C@H]1CC[C@H]2C[C@H]1C2(C)C)C(N)=O	299815286	NKUFVXRKKRVOQA-CHWFTXMASA-N	241.400	2.666	0	1	BFAF	
Cc1noc(-c2c(C)[nH]c3cc(F)ccc23)n1	587636948	QMZSEGQCSRRSBR-UHFFFAOYSA-N	231.230	2.974	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1C[C@@H](O)[C@@]1(C)CCC[C@@]2(O)C1	2356415218	DLQCYNDJQGMHRX-MYYUVRNCSA-N	238.371	2.725	0	1	BFAF	
CCCC=CCCCC[C@H](O)[C@@H](C)NC(C)=O	2356674916	YNBJXCBPPYCLMH-OCCSQVGLSA-N	241.375	2.789	0	1	BFAF	
C[C@@H]1CC[C@]23[C@H](C[C@@]2(C)O)[C@@H](O)C(C)(C)C[C@H]13	2356810185	AXCJETACEBDQFV-HTKHVQBFSA-N	238.371	2.581	0	1	BFAF	
CC1=C[C@H]2[C@@H](C[C@H]1O)[C@H](C)CC[C@@]2(O)C(C)C	14918451	IHNASXSHLFAEIM-BGNCJLHMSA-N	238.371	2.747	0	1	BFAF	
CN1C[C@@]2(C)C[C@]23c2cccc4[nH]cc(c24)C[C@H]13	14950109	ZWJHDICNUKHUGE-NUEKZKHPSA-N	238.334	2.686	0	1	BFAF	
CCc1nc(C)nc2c(-c3ccccc3)cnn12	26501475	RJCWMEIZOOAUGK-UHFFFAOYSA-N	238.294	2.662	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1CCCN(C)[C@H]2C1	27523981	INLXGNMYXKPYGX-YGRLFVJLSA-N	217.312	2.949	0	1	BFAF	
CCCNc1nc(SC)nc2ncccc12	27656531	MWILTQIVIWTZSE-UHFFFAOYSA-N	234.328	2.569	0	1	BFAF	
Cc1nc(Nc2cccc(N)c2)c2cc[nH]c2n1	27988203	AIUIITNCKPOAPF-UHFFFAOYSA-N	239.282	2.592	0	1	BFAF	
CCc1nc2cc3c(cc2o1)[C@@H]1CNC[C@H]3C1	28526487	WJCOITLYDIUVCM-BDAKNGLRSA-N	228.295	2.564	0	1	BFAF	
COc1ccc2nc(-c3ccccc3)n(O)c2c1	28957132	WPYVBYHCKUGTLN-UHFFFAOYSA-N	240.262	2.949	0	1	BFAF	
Cc1cccnc1N(O)[C@@H]1CC=C[C@H]1OC(C)C	73196458	ODPNLMNXFMIQGB-CHWSQXEVSA-N	248.326	2.708	0	1	BFAF	
C/C(=C\c1ccc(C(=O)O)cc1Cl)[N+](=O)[O-]	169340566	WRURLONEUDVVHB-GQCTYLIASA-N	241.630	2.676	0	1	BFAF	
C/C=C(/C)[C@H](O)C[Si](C)(C)c1ccccc1	195453477	ZYNXCXLVQLRELY-WTKLMOFPSA-N	234.415	2.929	0	1	BFAF	
CC(=O)N[C@]1(C)[C@H](C)[C@@H]2C[C@@H]1[C@@H](C)C2(C)C	195516063	NUMKLBYYJZQOGT-RCJRCVGLSA-N	223.360	2.829	0	1	BFAF	
Cc1cccc2nc(-c3csc(O)n3)[nH]c12	587018411	ZLPCOCLAHSCKIL-UHFFFAOYSA-N	231.280	2.700	0	1	BFAF	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)cc2[nH]1	587960716	AIHLRWVCVMIKFD-DTWKUNHWSA-N	246.285	2.860	0	1	BFAF	
CN1c2cc(N)ccc2Cc2ccc(N)cc21	5140911	QZPIOQIQWYAYKP-UHFFFAOYSA-N	225.295	2.523	0	1	BFAF	
Oc1ccc(CCc2cc(O)ccc2O)cc1	13340842	OQBZIJHUVOXVJC-UHFFFAOYSA-N	230.263	2.589	0	1	BFAF	biogenic
CC1=C2C[C@]3(C)[C@@H](C)CCC(=O)[C@H]3C[C@H]2OC1=O	86036332	IXMDYOSMFGVWJY-DGFVYPATSA-N	248.322	2.644	0	1	BFAF	in-man
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1[C@H](O)C[C@H](C)[C@H]1C2	104355708	VWQSEENZNJRXDR-RHTUOURWSA-N	238.371	2.987	0	1	BFAF	in-man
Cc1noc(C)c1[C@@H]1CN(C)Cc2ccccc21	473220519	IEHDEVXKWOALDJ-CQSZACIVSA-N	242.322	2.869	0	1	BFAF	
CC(C)Cc1ccc([C@@H](C)C2(O)COC2)cc1	1857644629	NKVCYARLQBRGJA-GFCCVEGCSA-N	234.339	2.750	0	1	BFAF	
COc1cccc(/C=C/C(=O)O)c1C(C)C	3472546	QWXXXRFASGFHKU-BQYQJAHWSA-N	220.268	2.916	0	1	BFAF	in-vitro
C=C1CC[C@@H]2[C@H]([C@H](C(=C)C=O)[C@@H]1C=O)C2(C)C	15267189	IJHRWJBWXDIJJH-AAVRWANBSA-N	232.323	2.795	0	1	BFAF	biogenic
CN(C)CCCCc1cc(-c2ccccc2)[nH]n1	28090733	ADOLADYCDCEOTB-UHFFFAOYSA-N	243.354	2.961	0	1	BFAF	
CCCN[C@H]1Cc2cc(OC)ccc2C[C@@H]1C	29488947	YXUBHKBRUDGXPC-NHYWBVRUSA-N	233.355	2.798	0	1	BFAF	
O=C(C1CC1)N1CCC(c2cccc(O)c2)CC1	66112169	BPBTWUFGYLTVSQ-UHFFFAOYSA-N	245.322	2.508	0	1	BFAF	
C[C@@H]1C[C@@H](C)O[C@]2(C1)C(=O)Nc1ccccc12	66156388	PUASAJJEJHCSGU-RULNRJAQSA-N	231.295	2.669	0	1	BFAF	
O=C1C[C@@H]2c3ccc4ccccc4c3O[C@H]2O1	98085245	CQZXWMWTIYBXIL-BXUZGUMPSA-N	226.231	2.589	0	1	BFAF	
CC12C[C@@H]3CC(N)(C[C@@H](C1)c1ccccc13)O2	101923180	ZKRUWHIDABWWIT-ASNHAOSHSA-N	229.323	2.885	0	1	BFAF	
COC(=O)c1cncc(-c2cscc2C)c1	146943834	AGKAVIDMERROTI-UHFFFAOYSA-N	233.292	2.905	0	1	BFAF	
Cc1ccccc1C[C@@]1(C)SC(=O)[C@H](C)C1=O	169719269	GRWPBKZKPSWYDU-QMTHXVAHSA-N	248.347	2.775	0	1	BFAF	
Nc1ccc2ncc(-c3cccc(O)c3)nc2c1	1857557586	ARTBQIQBHVSBST-UHFFFAOYSA-N	237.262	2.585	0	1	BFAF	
CC1=CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	13813509	VBLDQHIMWFPICS-GXTWGEPZSA-N	219.328	2.888	0	3	BFAF	
Clc1ccc2nc3[nH]nc(Cl)c3nc2c1	5544024	IQRSGTYBVOVHMD-UHFFFAOYSA-N	239.065	2.813	0	1	BFAF	
CC(C)N[C@H]1CCCC[C@@H]2c3ccccc3[C@@]12O	17220257	JYLTYLGMYCSVSD-PMPSAXMXSA-N	245.366	2.912	0	1	BFAF	
O=c1ccc2cccc(-c3cccnc3)c2[nH]1	26487611	VGAUDDJKLVEVCY-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
Cc1ccc(C)c2[nH]c(C3=COCC3)nc12	586913908	VBDZANLJWCUALP-UHFFFAOYSA-N	214.268	2.941	0	1	BFAF	
Cc1cc2ccc3c(c2cn1)O[C@@H](C(C)(C)O)C3	2356452981	KAMHSHAKYKJKHS-CYBMUJFWSA-N	243.306	2.618	0	1	BFAF	
COC1=CC(=O)O[C@@H](/C=C/C2=CCCC=C2)C1	4097415	OMNGEVNATYFZGG-GUOLPTJISA-N	232.279	2.665	0	1	BFAF	world
COc1cccc(C2=N[C@H](C(C)C)CO2)c1OC	5733233	VXGZYVDYWWIWLL-NSHDSACASA-N	249.310	2.505	0	1	BFAF	
COc1c(O)cc(C(=O)O)cc1CC=C(C)C	13334605	DCFNCYBBSZDNLF-UHFFFAOYSA-N	236.267	2.608	0	1	BFAF	biogenic
Cc1cc(Cn2cc[nH]c2=S)ccc1O	13776307	NBMYMCOCHJZRJC-UHFFFAOYSA-N	220.297	2.608	0	1	BFAF	
C[C@@H]1CC[C@H](O)C2=CC[C@@H](C(C)(C)O)C[C@]21C	15200795	JALLKVGSXAOCKA-ZSEWYUTFSA-N	238.371	2.891	0	1	BFAF	biogenic
NC(=O)c1cccc2c1Oc1ccccc1C=N2	43205507	PTHBOTMILXORGK-UHFFFAOYSA-N	238.246	2.642	0	1	BFAF	
CCOC(=O)/C=C\n1ccnc1-c1ccccc1	84723863	YFKXFOCASJBSEU-NTMALXAHSA-N	242.278	2.584	0	1	BFAF	
Clc1cccc(-c2cc3n(n2)CCCC3)n1	96911189	JJPBCTNGDGMCCV-UHFFFAOYSA-N	233.702	2.935	0	1	BFAF	
CCC12CC34CN(C(=N)N)CC3(C1)CC2(CC)C4	103283772	QYLPEGQCLQDUCS-UHFFFAOYSA-N	247.386	2.562	0	1	BFAF	
CC[C@@H](CC[C@H]1COC(N)=N1)c1ccccc1	117264844	RPQSDDPFXSWGBK-AAEUAGOBSA-N	232.327	2.674	0	1	BFAF	
C[C@@H]1CCCC[C@H]1n1cnc2ccc(O)nc21	118263819	MEHLUSUYFBXKDG-MWLCHTKSSA-N	231.299	2.888	0	1	BFAF	
Oc1ccc([C@@H]2CCC[C@H](O)CC2)cc1	1857764694	WESQYXJYCPRDGX-PWSUYJOCSA-N	206.285	2.801	0	1	BFAF	
CCC=CC[C@]1(C)C(=O)CC[C@H]1CC(=O)OC	2356328990	OTKPGLYYTBWCFA-FZMZJTMJSA-N	238.327	2.891	0	1	BFAF	
CCC[C@H](C)C=C1CN2CCC[C@H]2[C@](C)(O)C1	2356743739	ZQWCTWAOPTYJIS-AEGPPILISA-N	237.387	2.968	0	1	BFAF	
O=c1[nH]c2ccc(Cc3ccc(F)cc3)cc2o1	6535805	JNQBCWCUWKANIK-UHFFFAOYSA-N	243.237	2.851	0	1	BFAF	
O=C1CCCC2=Nc3ccccc3S[C@H]12	17917025	ZNFWXGFMLGEOGM-LBPRGKRZSA-N	217.293	2.986	0	1	BFAF	
NC(=O)/C=C1\CCc2c(Cl)cc(Cl)cc21	27409290	SYAJJMQOXYOIRW-ZZXKWVIFSA-N	242.105	2.808	0	1	BFAF	
Cc1cccc2c3c([nH]c12)CC[C@H](N(C)C)C3	39214016	VTKSFSHZTLGDDB-NSHDSACASA-N	228.339	2.895	0	1	BFAF	
CCCCCN(C(=O)CC)c1nc(C)co1	39246399	XLMBSQHQWMKYQB-UHFFFAOYSA-N	224.304	2.916	0	1	BFAF	
Clc1nccc2nc(C3CC4(COC4)C3)[nH]c12	586915635	GGWNJMHOKOAWGO-UHFFFAOYSA-N	249.701	2.505	0	1	BFAF	
Cc1nc2c(cc1-c1ccncc1)[C@H](C)C(=O)N2	3805811	VCNHBHOCRXRIGY-QMMMGPOBSA-N	239.278	2.508	0	1	BFAF	
Cc1cc2c(CO)coc2c2c1CC[C@@H](O)[C@@H]2C	13397783	KFNIOOQVUNXCSG-TVQRCGJNSA-N	246.306	2.644	0	1	BFAF	biogenic
CC(C)(C)c1ccc2c(c1)C[C@@]1(CC2)CN=CN1	13743755	GLCAMMMPZRDWJJ-INIZCTEOSA-N	242.366	2.843	0	1	BFAF	
C[C@H]1C2=CC(=O)OC2=C[C@@]2(C)[C@H](C)CC(=O)[C@]12C	14620020	HKNJJLPZSUGXIH-IOWHJBRQSA-N	246.306	2.625	0	1	BFAF	biogenic
COc1cc2c(c(C)c1OC)CCC(=O)[C@@H]2C	27188445	SCKUTQFDZDSIJI-MRVPVSSYSA-N	234.295	2.631	0	1	BFAF	
Cc1cccc2c1/C(=C/C(=O)NC1CC1)CC2	27332150	JMEFOFARCSKSDB-FMIVXFBMSA-N	227.307	2.603	0	1	BFAF	
O=C1C=CC[C@H](c2ccnc3ccccc23)O1	40934528	UPIABDYRGTWZKX-CYBMUJFWSA-N	225.247	2.779	0	1	BFAF	
CN1C=CN(COC2CCCCC2)/C1=C/N=O	136386349	KBVAQVFKLSOLAQ-FMIVXFBMSA-N	237.303	2.577	0	1	BFAF	
CS(=O)(=O)c1cccc(Oc2ccccc2)c1	200062735	HPPBBUUVYFUWQJ-UHFFFAOYSA-N	248.303	2.882	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1CC1)O2	587405440	LFAMRGMXODGZTJ-CQSZACIVSA-N	231.295	2.711	0	1	BFAF	
Cc1cc2c(cc1F)[C@@]1(C=CCC1)NCC2	962299491	OAOVSDYBFXNRBB-AWEZNQCLSA-N	217.287	2.825	0	1	BFAF	
O=C(/C=C1\CCc2ccc(F)cc21)N1CCCC1	3823425	GBTNNKOISBPGGS-FMIVXFBMSA-N	245.297	2.778	0	1	BFAF	
COc1cc2c(cc1[C@@H](C)O)C=CC(C)(C)O2	6037072	ZMQPULSGBXIVGC-SECBINFHSA-N	234.295	2.933	0	1	BFAF	biogenic
CN1C[C@@H](c2ccc(Cl)cc2)CCC1=O	29553838	QCCANQQHOCXGTL-JTQLQIEISA-N	223.703	2.676	0	1	BFAF	in-vivo
O=c1cc(-c2ccncc2)oc2cc(O)ccc12	95775465	ANXXMPBMGXPEGB-UHFFFAOYSA-N	239.230	2.561	0	1	BFAF	
O=c1c2ccccc2cc2n1[C@@H]1CCCC[C@H]1N2	102013589	XXEFUOMEJQJRAP-CHWSQXEVSA-N	240.306	2.911	0	1	BFAF	
COc1cc2c(cc1OC)[C@H]1[C@@H](CCCN1C)C2	299830094	MJOABFWEIOVMIY-ZUZCIYMTSA-N	247.338	2.643	0	1	BFAF	
Cc1cccc(N[N+](=O)c2cccc(C)n2)n1	377836382	YQMFTFXTQQCATN-UHFFFAOYSA-N	229.263	2.531	0	1	BFAF	
O=C1CCC(=C2C[C@@H]3[C@H]4C[C@H](O)[C@H](C4)[C@@H]3C2)CC1	13835455	UNLZEDPWRQTNSP-BTAUDXDXSA-N	246.350	2.853	0	1	BFAF	
C(=C/c1ncnc2[nH]cnc12)\c1cccs1	13836910	MDVBRUNIMSBAEB-ONEGZZNKSA-N	228.280	2.585	0	1	BFAF	
CC(C)OCCOc1cccc2ccc(N)nc12	28386187	COCTXJPHUFHACV-UHFFFAOYSA-N	246.310	2.621	0	1	BFAF	
Cc1cc2c3c(coc3c1)[C@@H](O)[C@@H](O)[C@H]2C(C)C	238736154	MINGOCHWARMETQ-CFVMTHIKSA-N	246.306	2.889	0	1	BFAF	
Clc1ccnc2[nH]c(CC3CC3)nc12	587959025	KXDMOQJHSXQEAQ-UHFFFAOYSA-N	207.664	2.564	0	1	BFAF	
CC1=CC[C@]2(CC1)[C@H](C)CC[C@H]2[C@@](C)(O)CO	2356407147	QYMRVKAANPSQAP-QPSCCSFWSA-N	238.371	2.892	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)[C@@](C)(O)CC[C@H]12	2356673519	KXQDMRUVBISRKM-HONMWMINSA-N	224.344	2.933	0	1	BFAF	
Cc1nnc2ccc(-c3cccc(Cl)c3)nn12	27657979	INXUWDAPOGPMQO-UHFFFAOYSA-N	244.685	2.753	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1[C@@H](O)CCC[C@@H]21	40442183	QVONKCBUMIKHBA-NOLJZWGESA-N	246.374	2.575	0	1	BFAF	
COc1ccc2c(c1)CN(C(C)C)C(=O)[C@@H](C)C2	71296166	QZRPMICYBWRQQN-NSHDSACASA-N	247.338	2.624	0	1	BFAF	
C[C@H](c1ccccc1)C1CC(=O)CC(=O)C1	102918012	PHCHXVBFAARFQC-SNVBAGLBSA-N	216.280	2.728	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2c(Cl)ncnc2[nH]1	586889666	MJZWEZRCTSOUFW-KGFZYKRKSA-N	236.706	2.910	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cnccc2[nH]1	586893287	XHKFJQDFHTXZBA-PRHODGIISA-N	201.273	2.862	0	1	BFAF	
CC(C)(C)[C@H](N)c1nc2c(Cl)ccnc2[nH]1	587257818	OKOHMJNTQUPOAR-MRVPVSSYSA-N	238.722	2.657	0	1	BFAF	
Cc1cc(F)c2[nH]c(CCOCC3CC3)nc2c1	587783373	AAEJYAMAWNFASD-UHFFFAOYSA-N	248.301	2.980	0	1	BFAF	
CCCC[C@H]1[C@@H]2NC(=N)NC3=C2[C@@H](CC3)C[C@H]1C	2356415168	BOOHKNSPXWBALG-DEKYYXRVSA-N	247.386	2.993	0	1	BFAF	
O=C1C[C@@H](c2ccsc2)n2cccc21	5834780	SSBCVAVDQFNSEM-JTQLQIEISA-N	203.266	2.725	0	1	BFAF	
[O-][N+]1=[N+]([O-])[C@H](c2ccccc2)[C@@H]1c1ccccc1	6582248	LDRQOYYTPNOGKX-OKILXGFUSA-N	240.262	2.955	0	1	BFAF	
Cc1sc2nc(NC(C)C)oc(=O)c2c1C	13779505	MJQHQQKZXCQQQS-UHFFFAOYSA-N	238.312	2.687	0	1	BFAF	
C[C@@H]1C[C@@H](O)CCCC/C=C/CCCC(=O)O1	14653344	PJUSYCAFQVDQIH-VQGWDMPSSA-N	240.343	2.970	0	1	BFAF	
Cc1cccc(-c2noc([C@H]3CCOC3)n2)c1C	19865272	UXXGMXLAMGVQFC-NSHDSACASA-N	244.294	2.857	0	1	BFAF	
CO[C@@H]1CCCc2nc3ccccc3c(N)c21	26670621	NPNGECAXOIIVOK-GFCCVEGCSA-N	228.295	2.841	0	1	BFAF	
CC(C)(C)c1cc(C(N)=O)cc2c1OCC2(C)C	27105490	WQBFVOLEPNODMQ-UHFFFAOYSA-N	247.338	2.753	0	1	BFAF	
CN1C[C@@H]2CCC[C@]2(c2ccc(F)c(F)c2)C1	72112634	ITPUGBSWGNTRDI-SMDDNHRTSA-N	237.293	2.948	0	1	BFAF	
NC[C@H]1C[C@@H]1c1ccccc1OCC1CCC1	84596954	CKNNVTPJNFUTRB-OCCSQVGLSA-N	231.339	2.928	0	1	BFAF	
C[C@]12N[C@@H](c3ccccc31)[C@@H](O)c1ccccc12	100649191	ICNAEBGGDVSIIR-JYJNAYRXSA-N	237.302	2.641	0	1	BFAF	
CN1C[C@@H]2C[C@@]2(c2ccc(Cl)cc2)C1	169295181	PPQBFAJGVREEGL-JQWIXIFHSA-N	207.704	2.543	0	1	BFAF	
CC1(C)N[C@@H]1[C@@H](O)c1ccc2ccccc2c1	169316469	CATNXLVQVNCSIK-UONOGXRCSA-N	227.307	2.624	0	1	BFAF	
COc1cc(=O)c2c(OC)c3ccoc3cc2o1	238731566	XFSBFKYHTMQPKX-UHFFFAOYSA-N	246.218	2.556	0	1	BFAF	
CC(C)N[C@@H]1CCCC[C@H]2c3ccccc3[C@]21O	17220259	JYLTYLGMYCSVSD-XHSDSOJGSA-N	245.366	2.912	0	1	BFAF	
CCN(Cc1cnc[nH]1)c1ccc(F)c(OC)c1	96177529	PMGBVLSGGPLZJM-UHFFFAOYSA-N	249.289	2.584	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@H]1O	238766715	RUGJZFZHTUVOIR-KHMAMNHCSA-N	240.387	2.971	0	1	BFAF	
c1cc2c3c(cc(-c4ncc[nH]4)nc3c1)CC2	587213198	YQHLOFMCKUEHFW-UHFFFAOYSA-N	221.263	2.724	0	1	BFAF	
C[C@H]1Cc2c(nc3cccc4c3c2CC4)C1=O	587214046	NOJYPLNKQKXKHF-QMMMGPOBSA-N	223.275	2.708	0	1	BFAF	
Cc1noc(-c2c(C)[nH]c3cccc(F)c23)n1	587636633	ACYHQHBVQQZITR-UHFFFAOYSA-N	231.230	2.974	0	1	BFAF	
CN[C@@]12CCCC[C@@H]1CCc1ccc(O)cc12	26152909	NUNUKMHQMWIAIX-DOMZBBRYSA-N	231.339	2.943	0	1	BFAF	
C[C@@]12N[C@@H](Cc3cc(O)ccc31)c1ccccc12	27886016	YFQXIMCPJVXWDV-JKSUJKDBSA-N	237.302	2.856	0	1	BFAF	
c1nc([C@@H]2C[C@@H]2CNCC2CCCCC2)c[nH]1	35033877	SGHHKDMDVKJWOL-CHWSQXEVSA-N	233.359	2.683	0	1	BFAF	
CC12C[C@H]3CC(N)(C[C@@H](C1)c1ccccc13)O2	45339131	ZKRUWHIDABWWIT-MPLXBHQASA-N	229.323	2.885	0	1	BFAF	
c1ccc(C(c2ccccc2)n2nccn2)cc1	72181424	YVUHGOIUSPYIDX-UHFFFAOYSA-N	235.290	2.916	0	1	BFAF	
Clc1ccc([C@@H]2C[C@@H]3CCC[C@@H]2N3)cn1	100034338	GDSORCYTZJIZHU-DCAQKATOSA-N	222.719	2.733	0	1	BFAF	in-vivo
c1cc2c(ncn3nnc(C4CCCCC4)c23)[nH]1	144341700	AZZSZSBPOIUTBL-UHFFFAOYSA-N	241.298	2.653	0	1	BFAF	
COc1cc(CCCCCC(=O)O)ccc1O	148051568	SDESBGJMRHLYBN-UHFFFAOYSA-N	238.283	2.588	0	1	BFAF	
COc1ccc2c(c1)[C@H]1[C@H](CCCN1C)C2	299831757	REOUOAFXFYANBT-BXUZGUMPSA-N	217.312	2.634	0	1	BFAF	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(F)c2[nH]1	587963374	NJNXILFXKXMHGD-DTWKUNHWSA-N	246.285	2.860	0	1	BFAF	
N[C@H]1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	13676265	INLFGRVNSNAIRT-UYAIAHHASA-N	222.719	2.576	0	1	BFAF	
CC(=O)CC[C@@H]1[C@H](C)C[C@H](O)CC1(C)C	14587732	GZFXCGAUFAQBLT-ADEWGFFLSA-N	212.333	2.789	0	1	BFAF	biogenic
O=C(/C=C1\CCc2cc(Cl)ccc21)NC1CC1	27329630	BGHMWJAZNCTSRV-CSKARUKUSA-N	247.725	2.948	0	1	BFAF	
C[C@H]1CCC[C@@H]2C[C@H]3OCC4=C3[C@@H](OC4)[C@]12C	34456031	JNYRITJWRVKNCG-LTDFUNFTSA-N	234.339	2.927	0	1	BFAF	
CC(=O)c1c(O)cc(O)cc1OCC=C(C)C	64485795	VBWQMCBBJDUNRZ-UHFFFAOYSA-N	236.267	2.645	0	1	BFAF	
CC[C@@]1(c2ccccc2)OCC[C@@H](CCNC)O1	71281712	HMAADEFXIZTOAG-HUUCEWRRSA-N	249.354	2.664	0	1	BFAF	
CN1C[C@]2(c3cccc(O)c3)CCC[C@H]1C2	169317060	CACUHZYZLDBFQG-JSGCOSHPSA-N	217.312	2.518	0	1	BFAF	
C[C@@H]1[C@H](O)CCN[C@@H]1/C=C\C=C/c1ccccc1	212221164	BDDSGELKWZUGTC-BPCJEZHJSA-N	243.350	2.615	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@@H]1CCC[C@@H]21	253640190	JOOBQJINBSHFNJ-NDLNZWKESA-N	228.339	2.769	0	1	BFAF	
Cn1ccnc1Cc1ccc2ccccc2c1O	27202750	QTTUZHMUDCQVGZ-UHFFFAOYSA-N	238.290	2.870	0	1	BFAF	
CC(=O)N(c1ccccc1)[C@@H]1CCC[C@H]1N(C)C	28242549	GGZSBGCCQOBQNS-HUUCEWRRSA-N	246.354	2.522	0	1	BFAF	
C[C@H]1C(=O)CC[C@H]2[C@@H]1CC[C@]1(C)[C@H](O)CC[C@H]21	169312834	WIKOGZYEVQUKEV-HAJOPNNUSA-N	236.355	2.789	0	1	BFAF	
CC/C=C(\C)c1cc(OC)c(C)c(=O)o1	238767730	KZSUTXHYJQMHKM-SOFGYWHQSA-N	208.257	2.770	0	1	BFAF	
CC1(C)[C@H]2C[C@](C)(O)[C@H]3CCC[C@](C)(O)[C@H]3[C@@H]21	238770294	AYOFBMBGDXCIQI-QUTRTJBFSA-N	238.371	2.581	0	1	BFAF	
O=S1(=Nc2ccccc2)CCCCC1	1772573737	IDGITZGQHADGQO-UHFFFAOYSA-N	209.314	2.970	0	1	BFAF	
CC1=CCC[C@@H]2[C@@H]1[C@](C)(CO)CCC[C@@]2(C)O	2356577463	FFRRKJRZQUGBSK-APIJFGDWSA-N	238.371	2.892	0	1	BFAF	
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(F)c12	13673571	DDBXZYDSZVDTAS-ZJUUUORDSA-N	232.302	2.972	0	1	BFAF	
C[C@]12N[C@H](Cc3ccccc31)c1cc(O)ccc12	27884809	ZDZGEYKVIKYFLF-CVEARBPZSA-N	237.302	2.856	0	1	BFAF	
OCc1cc(O)ccc1/C=C/c1ccc(O)cc1	49052955	SNXVIVCUXCVILT-DAFODLJHSA-N	242.274	2.761	0	1	BFAF	
O=C1C2=C(CCCC2)C(=O)N1c1ccccc1F	103176553	PINAKBXFAZUJBZ-UHFFFAOYSA-N	245.253	2.570	0	1	BFAF	
CO[C@@]1(C)Cc2ccc(C(C)C)c(O)c21	222123581	SYTXBDSDEYXPEO-ZDUSSCGKSA-N	206.285	2.933	0	1	BFAF	
CC(=O)NCC[C@H]1CC(C)(C)Oc2ccccc21	299849411	JNADOKCTHUJOBS-LBPRGKRZSA-N	247.338	2.858	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(C)CC1)O2	587407215	YWRZIERTQZBLEG-LBPRGKRZSA-N	231.295	2.711	0	1	BFAF	
C[C@H](c1ccc(C=O)cc1)[C@H]1[C@H]2C=C[C@H]3[C@@H](C2)[N@]31	2356373354	YOMXBMKPPPTBGZ-HBMFVVIDSA-N	239.318	2.614	0	1	BFAF	
CCc1cccc(OCCCc2c[nH]cn2)c1	13580350	UBGVNGMSPVHKOI-UHFFFAOYSA-N	230.311	2.984	0	1	BFAF	
CCc1c(O)nc(=S)n([C@@H](C)CC)c1O	16513598	UMWKQTBBISRILL-LURJTMIESA-N	228.317	2.557	0	1	BFAF	
O=C(C[C@@H](O)Cc1ccccc1)c1ccccc1	38255242	ACOOYQMOKLIVJM-HNNXBMFYSA-N	240.302	2.863	0	1	BFAF	
CN(C)[C@H]1CCc2c(c3ccccc3n2C)C1	39111108	WQQXUUBWAWEKMM-NSHDSACASA-N	228.339	2.597	0	1	BFAF	
COc1cc(C)ccc1-c1nc2cc[nH]cc-2n1	100961129	FRCVOQLRIRQEHU-UHFFFAOYSA-N	239.278	2.894	0	1	BFAF	
Clc1cc(Cl)c([C@]23CNC[C@@H]2C3)s1	101168301	CSGVNYGGRSSQOB-SSDLBLMSSA-N	234.151	2.916	0	1	BFAF	
CC(C)c1ccc([C@@H](N)N=O)c(Cl)n1	957611465	PQGNGKLIYPBKEW-VIFPVBQESA-N	213.668	2.582	0	1	BFAF	
C[C@]1(CO)C[C@@H]2CC(CO)=C3CC[C@@]3(C)[C@@H]2C1	2356558572	DWHWSBKMAVYZBO-OADPDTJPSA-N	236.355	2.504	0	1	BFAF	
CC1=C2C[C@]3(C)C(=C[C@]2(O)OC1=O)CCC[C@@H]3C	14450184	VCKBXFCIXKWWAI-LNHVQRHZSA-N	248.322	2.705	0	1	BFAF	biogenic
Cc1nc2cc3c(cc2s1)[C@H]1CNC[C@@H]3C1	28526247	HPWMUPCSPGRYGY-DTWKUNHWSA-N	230.336	2.779	0	1	BFAF	
C[C@H]1CC[C@@H]2C[C@@]3(OC2(C)C)[C@H]1CC[C@@H]3CO	70455622	ABYYDYWFVSHNAX-PFFFPCNUSA-N	238.371	2.989	0	1	BFAF	biogenic,in-vitro
O[C@H]1CCC2=C(C1)C[C@H](CN1CCCCC1)C2	169328689	YRDSGPROQBZPFV-DOMZBBRYSA-N	235.371	2.724	0	1	BFAF	
OCc1ccc(-c2nc3c(F)cccc3[nH]2)cc1	586895658	RZADEBYBOXOJGH-UHFFFAOYSA-N	242.253	2.861	0	1	BFAF	
Cn1ccnc1-c1cc2c3c(cccc3n1)CC2	587210951	INZLBNMGXHVSAH-UHFFFAOYSA-N	235.290	2.734	0	1	BFAF	
Cn1cc(-c2cnc3ccc(Cl)cc3n2)cn1	1857600439	UINKZYIHXDKVCS-UHFFFAOYSA-N	244.685	2.684	0	1	BFAF	
C[C@H]1CN=C(Cc2cccc3ccccc23)N1	6495177	IBSOVVIMTPSQDA-NSHDSACASA-N	224.307	2.773	0	1	BFAF	
Oc1cc(CCc2ccccc2)cc2c1OCO2	14652552	FCGASXDJKLLMKX-UHFFFAOYSA-N	242.274	2.906	0	1	BFAF	biogenic
CC[C@]1(c2cccc(OC)c2)CCCC(=O)NC1	39261418	DLLAYTSJCIEZBS-HNNXBMFYSA-N	247.338	2.643	0	1	BFAF	
COC(=O)/C=C\[C@@H]1c2ccccc2[C@H](OC)[C@@H]1C	73096385	CMKYBWAWPBVWFW-ZLXUTNRSSA-N	246.306	2.837	0	1	BFAF	
CCCCOc1ccc(-c2cc[n+](C)[nH]2)cc1	100976808	VMKNDIQDOBATQU-UHFFFAOYSA-O	231.319	2.685	0	1	BFAF	
C[C@@H]1Cc2c(nc3cccc4c3c2CC4)C1=O	587214043	NOJYPLNKQKXKHF-MRVPVSSYSA-N	223.275	2.708	0	1	BFAF	
CCOCCOCc1nc2ccc(C)c(C)c2[nH]1	587778783	PMRUJEFZNYDNNW-UHFFFAOYSA-N	248.326	2.733	0	1	BFAF	
COc1cc(F)c(Cl)cc1[C@H]1C[C@H]1CN	653709028	MBTSGERRNMKXCZ-BQBZGAKWSA-N	229.682	2.550	0	1	BFAF	
CC1=CCC[C@](C)(O)[C@@H]2C[C@@H]2C(C)(C)C[C@@H]1O	2356511456	BOAGSZAUIQYYAY-XFMPKHEZSA-N	238.371	2.891	0	1	BFAF	
Cc1cc(N)cc(C)c1-n1nc2ccccc2n1	4030175	SCYVBYKTHUBIAJ-UHFFFAOYSA-N	238.294	2.620	0	1	BFAF	
C/C(=C/CC[C@@]1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)O)CO	14690761	DZAZSBAAFSSMAB-RNCHGQBNSA-N	238.371	2.892	0	1	BFAF	
CCN1CCC[C@H]2c3cccc(O)c3CC[C@@H]21	26276265	GVOROUDOZOBZIC-JSGCOSHPSA-N	231.339	2.906	0	1	BFAF	
CCCc1cccc2nc(OCC)oc(=O)c12	27548120	LMJPHMNRIQNQKP-UHFFFAOYSA-N	233.267	2.539	0	1	BFAF	
COc1cccc([C@@]23CCCN[C@H](CC2)C3)c1	101794276	PRVRSSVEGMFFPB-HIFRSBDPSA-N	231.339	2.869	0	1	BFAF	
CC(C)[C@H]1CC[C@]2(C)[C@@H](O)CCC(CO)=C[C@H]12	139781156	IDZQOYPXKXBZAG-KBXIAJHMSA-N	238.371	2.748	0	1	BFAF	
C[C@H]1C[C@H](O)[C@@H]2[C@H](C)CC[C@@H](c3ccoc3)N2C1	238768138	RAGZKDMRXBFTLM-HZZBMVKVSA-N	249.354	2.822	0	1	BFAF	
CC1=C(O)C[C@@H](CCc2ccccc2)OC1=O	2356697068	HYFBYXSZUDJFRY-GFCCVEGCSA-N	232.279	2.767	0	1	BFAF	
O=C1CCC2(CC1)CCc1ccccc1C2=O	1563069	MDJDPCZUUAVGNR-UHFFFAOYSA-N	228.291	2.945	0	1	BFAF	
CCCN1CCO[C@@H]2c3ccsc3CC[C@H]21	13474750	GRHVCLHQXSTVGR-DGCLKSJQSA-N	237.368	2.846	0	1	BFAF	
CC[C@@H](C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12	14455617	GRVFODKSPHRUNC-YGRLFVJLSA-N	245.322	2.687	0	1	BFAF	biogenic
Clc1ccc(C2=C[C@@H]3CNC[C@H](C2)C3)cn1	95577989	QCSSDCOJCQOKNU-ZJUUUORDSA-N	234.730	2.748	0	1	BFAF	
Cc1cccc(C)c1/C=C(\S)C(=O)O	222454921	JLZUWMIZZRNZFL-POHAHGRESA-N	208.282	2.659	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(CO)cc2[nH]1	586890813	PKDGNOQSWOSXLK-HZMBPMFUSA-N	230.311	2.959	0	1	BFAF	
N[C@H]1[C@H]2Cc3cc(-c4ccccc4)ccc3[C@@H]12	1857536332	BKDNKKSJJGMOLF-XHSDSOJGSA-N	221.303	2.950	0	1	BFAF	
CN(C)[C]1C=CN(Cc2ccccc2)C=C1	2356806610	AHBZCLSQZGMFGX-UHFFFAOYSA-N	213.304	2.623	0	1	BFAF	
C[C@@H]1c2ccccc2NC(=O)N1CCCN(C)C	13553549	GRLWYANVXMOQSP-LLVKDONJSA-N	247.342	2.547	0	1	BFAF	
O=c1ccc2cc(-c3ccccn3)ccc2[nH]1	26179556	WGNYOCAOLVBRDL-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
CCCN(CC)[C@H]1CCc2cccc(O)c2C1	27561410	RXIVPHXKBOPSJF-ZDUSSCGKSA-N	233.355	2.981	0	1	BFAF	
CCCCO[C@@H](CC)O[C@H](C)CO[C@H](O)CC	95884268	RNFAKTRFMQEEQE-FRRDWIJNSA-N	248.363	2.689	0	1	BFAF	
Cc1cc2c(cc1O)[C@]1(C)CC[C@@](O)(O2)C1(C)C	100824160	KANVQRLDTGOSBL-LSDHHAIUSA-N	248.322	2.859	0	1	BFAF	endogenous,in-man
CCCc1nc(C)c2c(C)nc3scnc3n12	147021744	AJAZAZULCQZVTJ-UHFFFAOYSA-N	246.339	2.908	0	1	BFAF	
COCCc1cc2c3c(cccc3n1)CC2	587211067	BSUXUKIRVKTRLF-UHFFFAOYSA-N	213.280	2.522	0	1	BFAF	
COc1ccc(Cl)c(F)c1[C@@H]1C[C@H]1CN	653707675	COCHDBMHBGSPFV-NKWVEPMBSA-N	229.682	2.550	0	1	BFAF	
Oc1cc(C2CCCCC2)c2c[nH]nc2n1	1911581234	MCAQAKUWAWWANZ-UHFFFAOYSA-N	217.272	2.711	0	1	BFAF	
CCC=CC[C@@]1(C)C(=O)CC[C@@H]1CC(=O)OC	2356328989	OTKPGLYYTBWCFA-BXUZGUMPSA-N	238.327	2.891	0	1	BFAF	
C[N@@]1[C@H](c2cc(O)nc3ccccc23)C1(C)C	2356718158	MVNPXYACAWOCTC-CJNGLKHVSA-N	228.295	2.706	0	1	BFAF	
CC1=CN(Cc2cccc(C)c2)[C](N)C=C1	2356872379	LBUSQTQHRLYHJT-UHFFFAOYSA-N	213.304	2.719	0	1	BFAF	
CC(=O)Nc1ccc2c(C)cc(N(C)C)nc2c1	3641343	AYQWXZDGRBCRQE-UHFFFAOYSA-N	243.310	2.568	0	1	BFAF	
c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]1c1cc[nH]n1	34415588	FIORVGNTSODCHF-XBFCOCLRSA-N	210.280	2.853	0	1	BFAF	
C/C=C/[S@](=O)c1cc(O)c2ccccc2c1O	169729664	SVQSAMXHOBTIDV-OIYOBHNRSA-N	248.303	2.892	0	1	BFAF	
C[C@@H]1CCCC2=CC[C@H]([C@@](C)(O)CO)C[C@@]21C	238771894	XJXXJYGANFEEDD-BEAPCOKYSA-N	238.371	2.892	0	1	BFAF	
C[C@@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@](C)(O)O2	2356592800	KWEHQSJHTLFZSW-BSCCGWMCSA-N	224.344	2.946	0	1	BFAF	
COc1cc(O)c2c(c1)CCc1cccc(O)c1-2	13480623	KQMGXHNRKZYDEK-UHFFFAOYSA-N	242.274	2.872	0	1	BFAF	biogenic,in-vitro
C[C@]12N[C@H](c3ccccc31)[C@@H](O)c1ccccc12	27885094	ICNAEBGGDVSIIR-PMPSAXMXSA-N	237.302	2.641	0	1	BFAF	
CN(C)C[C@H]1C[C@@H]1c1cnc2ccccc2c1	28960125	IRSPOVOLBHRLDQ-ZIAGYGMSSA-N	226.323	2.900	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)C(=O)CCC(CO)=C[C@@H]12	34606744	GOLVWBBRGXFBMA-KCQAQPDRSA-N	236.355	2.957	0	1	BFAF	
CC1(C)N[C@H]1[C@@H](O)c1ccc(Cl)c(Cl)c1	169316464	VZDLIGXVHUBRJD-UWVGGRQHSA-N	246.137	2.777	0	1	BFAF	
Cc1sc(C(C)C)cc1-c1cc(C(N)=O)n[nH]1	299822191	HNFWQKIDSQPNQF-UHFFFAOYSA-N	249.339	2.669	0	1	BFAF	
COc1cccc(/C=C/c2cncnc2)c1	653764341	HFXWDEIZEYHVTR-AATRIKPKSA-N	212.252	2.656	0	1	BFAF	
Cc1cc(O)c(C)c2c1CC[C@@H]1[C@@H]2O[C@H](O)[C@H]1C	1772647427	JBCANCDJOKSTJJ-BONJKSQKSA-N	248.322	2.597	0	1	BFAF	
CCc1cc2c(c3c1C(=O)C(=O)N3)[C@@H](C)C[C@@H]2C	2356514882	PBINGJFJSSJYJE-YUMQZZPRSA-N	243.306	2.995	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@](O)(CO)[C@@H]1C2	2356579261	WEZSMISXBFOGRL-YJNKXOJESA-N	238.371	2.892	0	1	BFAF	
CN1CC=C(Sc2ccccc2)CC1	13651357	PTPLGUWNXUCGAH-UHFFFAOYSA-N	205.326	2.998	0	1	BFAF	
O=C(OC[C@H](O)c1ccccc1)c1ccccc1	14651590	PSWCFHRUHDIKNU-AWEZNQCLSA-N	242.274	2.577	0	1	BFAF	biogenic
COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1O2	28375800	WCWYQSBRFMSVQV-WCQYABFASA-N	244.290	2.565	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@H]1C=CC[C@@H]21	194844880	KQEBFIGSBWGPFB-KVQFHVITSA-N	226.323	2.545	0	1	BFAF	
COc1ccc(/C=C/CO)cc1[C@H]1C=C(C)CO1	238772028	HVEZDXZXIXZTMG-NHZBNJEXSA-N	246.306	2.718	0	1	BFAF	
c1cc2c3c(cc(-c4cc[nH]n4)nc3c1)CC2	587211016	AYXBKSSRXMGDTR-UHFFFAOYSA-N	221.263	2.724	0	1	BFAF	
CCO[C@H]1Cc2c1nc1cccc3c1c2CC3	587212644	BXOFCJZRWVUFRC-ZDUSSCGKSA-N	225.291	2.967	0	1	BFAF	
CCCCC(Br)=CC(=O)O	2356589493	ZWQSWMXYEPWSRT-UHFFFAOYSA-N	207.067	2.540	0	1	BFAF	
c1cncc(-c2nc3ccccc3n3cncc23)c1	26572418	IJXAVDMIFSOKTF-UHFFFAOYSA-N	246.273	2.945	0	1	BFAF	
O=C(O)[C@]1(CCCc2ccc(Cl)cc2)CO1	39343006	OJUGRVJJFRUYHR-LBPRGKRZSA-N	240.686	2.516	0	1	BFAF	
c1ccc(C2=NO[C@@H]3CCCC[C@@H]23)cc1	95574314	RSAWVZJBIQEIGU-VXGBXAGGSA-N	201.269	2.980	0	1	BFAF	
CN1[C@@H]2C=C(c3ccc(Cl)cn3)C[C@@H]1CC2	169349563	MHYACAYHOKNGQE-RYUDHWBXSA-N	234.730	2.985	0	1	BFAF	
CCC[C@H](CC)OCN1C=CN(C)/C1=C\N=O	219803730	UKWOTEFPMKWCEL-UTEVDWOZSA-N	239.319	2.823	0	1	BFAF	
Cc1ccnc2c1CCN[C@@H]2[C@H]1CCC(C)(C)O1	963072885	OVFQPASDTSJSFZ-TZMCWYRMSA-N	246.354	2.534	0	1	BFAF	
Nc1ncccc1-c1ccc2[nH]ccc2c1	1239695313	KTGCMLOACCVNSI-UHFFFAOYSA-N	209.252	2.812	0	1	BFAF	
O=C1C[C@@H](c2ccc(O)cc2)c2ccccc2N1	1857596450	FVWJSYRPJKYZSR-ZDUSSCGKSA-N	239.274	2.866	0	1	BFAF	
C=C1CCC[C@H](CO)C(=O)C[C@@H]2[C@@H]1CC2(C)C	14445433	BCRCLRXVJYXWBA-JHJVBQTASA-N	236.355	2.957	0	1	BFAF	biogenic
CC(C)[C@@H]1CC/C(=C/Br)OC1=O	29208279	HBUCVSCEKDOHRY-TVSKSKRASA-N	233.105	2.832	0	1	BFAF	
NC(=O)c1ccccc1-c1ccccc1F	118063965	SZDCASJNCGOZOC-UHFFFAOYSA-N	215.227	2.592	0	1	BFAF	
O=C(O)C(=O)c1ccc(Cc2ccccc2)s1	146503198	OXYJUVCPRNFIRX-UHFFFAOYSA-N	246.287	2.606	0	1	BFAF	
O=NCc1ccc(Br)cc1	201636081	NZHRVJBNYRNENC-UHFFFAOYSA-N	200.035	2.716	0	1	BFAF	
CC1(C)C[C@H](O)[C@@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3	238761749	BWXJQHJHGMZLBT-SZWZKDINSA-N	238.371	2.725	0	1	BFAF	
Cc1cccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c12	586910779	QAXVGTQTEYSAGH-SECBINFHSA-N	244.294	2.680	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12[C@H](O)C[C@]3(C)O	2356384506	SWFQSMGZEMSQMJ-RJHCMKNPSA-N	238.371	2.581	0	1	BFAF	
CC1=C2c3cc(O)c(C)cc3[C@H](C)C[C@@H]2OC1=O	15273816	JNBSQRJGTJOEJS-UHLUBPPHSA-N	244.290	2.907	0	1	BFAF	biogenic
COc1ccc2c(c1)[C@@H]1CCCN[C@H]2C1	27525768	UQJJRYFXFFOINV-RNCFNFMXSA-N	203.285	2.607	0	1	BFAF	
Oc1cccc([C@]23CCCN[C@H](CC2)C3)c1	29254471	IXIRITGIJAZPRO-TZMCWYRMSA-N	217.312	2.566	0	1	BFAF	
CC1(C)Cc2cc(Cl)ccc2C=[N+]1[O-]	34516679	LATHQRSPLSSYTP-UHFFFAOYSA-N	209.676	2.604	0	1	BFAF	
O=C1c2sccc2Cc2cccc(O)c21	299831703	DSUPKNJDIXYPNL-UHFFFAOYSA-N	216.261	2.589	0	1	BFAF	
CC(C)(Cl)c1nc2ccc(O)cc2[nH]1	587008717	QWBAXAMFZTZGFT-UHFFFAOYSA-N	210.664	2.742	0	1	BFAF	
CC[C@H](C)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446437	WUATVEADBMHNOO-IYYOCNSZSA-N	246.306	2.857	0	1	BFAF	
CC(C)[C@H]1COc2c3ccccc3nn21	203473836	NNHKHBQGEAVIQA-LLVKDONJSA-N	202.257	2.626	0	3	BFAF	
CC(C)(C)N[C@H]1[C@@H](O)[C@@]2(C)CC[C@@H]1C2(C)C	5963964	VBIQESJEDOKYKY-ICUOPCATSA-N	225.376	2.560	0	1	BFAF	
CCOP(=O)(OCC)[C@](C)(CC)NC	6371533	TXVVXXMNYJCVPX-SECBINFHSA-N	223.253	2.598	0	1	BFAF	
COc1ccc2c3c1CCN(C)[C@@H]3CCC2	27710863	GWXSIXPDBSCOLU-GFCCVEGCSA-N	217.312	2.561	0	1	BFAF	
COc1cc(OC)c2c(C)cc(C)cc2n1	28523266	UMVWBCDXPKPVNH-UHFFFAOYSA-N	217.268	2.869	0	1	BFAF	
Clc1ccc2c(n1)CC[C@@H]1[C@@H]2[C@H]2CC[C@H]1N2	140780016	YFIIBDQLLAQNAF-WQHKMRLXSA-N	234.730	2.515	0	1	BFAF	
CN1[C@@H]2C=C(c3ccc(Cl)nc3)C[C@@H]1CC2	169316096	XRBRBRUNDFTBCC-RYUDHWBXSA-N	234.730	2.985	0	1	BFAF	
CC(C)C[C@H](O)c1nc2c(Cl)ccnc2[nH]1	586900731	KKGCHWPESWNWNH-QMMMGPOBSA-N	239.706	2.691	0	1	BFAF	
CC(C)(Cl)c1nc2cc(F)cnc2[nH]1	587008911	RLPYJYZCLAMBAZ-UHFFFAOYSA-N	213.643	2.571	0	1	BFAF	
CCCN1CCC[C@@]12COc1cccc(O)c1C2	12355922	SHUXJMKMECCNTK-OAHLLOKOSA-N	247.338	2.572	0	1	BFAF	
Cc1coc2c1[C@H](O)[C@]1(C)C(=CCC[C@@]1(C)O)C2	15221135	OKNQFKPGULYHTO-ZNMIVQPWSA-N	248.322	2.655	0	1	BFAF	biogenic
CO[P@@]1(=O)C[C@H]2C(Cl)(Cl)[C@@]2(C)C1	17190253	QRKRKVKQGRLRPQ-JPOPXJHUSA-N	229.043	2.735	0	1	BFAF	
CN1CCC[C@H]1COc1ccc2cccnc2c1	26382674	WWHJVFVUYJMQHP-ZDUSSCGKSA-N	242.322	2.708	0	1	BFAF	
O=C(/C=C1\CCc2c(F)cc(F)cc21)NC1CC1	27405992	GTJPGNFDSRZYSP-VMPITWQZSA-N	249.260	2.573	0	1	BFAF	
O=C1C(c2ccccc2)C(=O)[C@@H]2CC=CC[C@@H]12	28759865	KDSHBWMZFPXLDX-VXGBXAGGSA-N	226.275	2.504	0	1	BFAF	
O=C(OCc1ccccc1)c1cccc(S)n1	28969150	VZXSYHPSVIVBDS-UHFFFAOYSA-N	245.303	2.727	0	1	BFAF	
c1ccc2c(c1)CN1CN2Cc2ccccc21	34519350	KSIARGPACPDPRD-UHFFFAOYSA-N	222.291	2.984	0	1	BFAF	
COCCc1cccc2c1CC[C@@H]2c1ncc[nH]1	40900950	NNKSQAHRFKMBLQ-AWEZNQCLSA-N	242.322	2.677	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cc(F)cnc2[nH]1	586910557	IJXDQZTUOUVHLS-ONGXEEELSA-N	249.289	2.770	0	1	BFAF	
CC(C)(C)[C@H](N)c1nc2cc(Cl)ncc2[nH]1	587257935	RIPKPZWMLQIRNI-SECBINFHSA-N	238.722	2.657	0	1	BFAF	
C1=CC[C@@H](CN2CC[C@H](c3cc[nH]n3)C2)CC1	621431809	OBAPYLMKIHNJHU-OLZOCXBDSA-N	231.343	2.555	0	1	BFAF	
CC(=O)N1CC(C)(C)c2c1cc(C)c(O)c2C	1643533	ZPAGQZCYDDROJP-UHFFFAOYSA-N	233.311	2.653	0	1	BFAF	
Cc1ccc(N2CCc3ccccc3C2)nc1	13488062	NSYAHPROSUNCTM-UHFFFAOYSA-N	224.307	2.953	0	1	BFAF	
C[C@@H](C(=O)O)c1cccc(C(=O)c2ccco2)c1	28711080	IQUJSERCOKJJHL-SECBINFHSA-N	244.246	2.699	0	1	BFAF	
C[C@H]1N(C)[C@H]2CCC[C@@]1(c1cc(O)cc(O)c1)C2	100053089	VRWQFJFRMYXBTD-IFUGULHKSA-N	247.338	2.612	0	1	BFAF	
O=C1C(c2ccc(O)cc2)=Nc2ccccc21	169308439	ZYSJNCSXAKQHDM-UHFFFAOYSA-N	223.231	2.709	0	1	BFAF	
C1=C(c2nc3cc4c(cc3[nH]2)OCO4)CCC1	586884230	OVSQTMBQCIYBLK-UHFFFAOYSA-N	228.251	2.859	0	1	BFAF	
Fc1ccc([C@H]2NN=C3CCC[C@@H]32)cc1	1857539641	CDONTVCPPIMHIW-CMPLNLGQSA-N	204.248	2.626	0	1	BFAF	
CC1(C)C[C@@H](O)C[C@]1(C)c1ccc(C(=O)O)cc1	2356324503	JGTUMRIHXGOGSV-IUODEOHRSA-N	248.322	2.823	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H]2CCC(=O)[C@@H](C(C)C)[C@@H]21	2356651111	CAZUDQZWTAQDDH-ZMJPVWNMSA-N	222.328	2.853	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC(=O)[C@]2(C)O)C1(C)C	2356738337	KHKPHGFRCLTIRU-AJEUDMOSSA-N	236.355	2.645	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)C[C@H]2C(=O)O	2356831575	JQOPEEXVTUOURL-COPLHBTASA-N	238.327	2.883	0	1	BFAF	
Cc1ccc(CSc2cc(C)[nH]c(=O)n2)cc1	4314582	MHCMXSJGONFMQQ-UHFFFAOYSA-N	246.335	2.679	0	3	BFAF	
CCCC(=O)c1ccc2c(ccc(=O)n2C)c1	1628628	LJDDIPKYAIBOHD-UHFFFAOYSA-N	229.279	2.521	0	1	BFAF	
CCOCc1cocc2c(C=O)ccc1-2	33877663	VQSGSHVNMAGNDE-UHFFFAOYSA-N	204.225	2.733	0	1	BFAF	
CC1(C)Cc2ccc(Cl)cc2C=[N+]1[O-]	34505542	APSPUOAPCKRHNP-UHFFFAOYSA-N	209.676	2.604	0	1	BFAF	
CC[C@H](N)[P@@](=O)(O)Oc1cc(C)ccc1C	49071965	WKUSAHQMGACOLN-LLVKDONJSA-N	243.243	2.562	0	1	BFAF	
CC1=CCCC2=C[C@@H](OC2=O)C(C)(C)C=C[C@H]1O	2356319807	GZYWRLWUAXQGPX-CHWSQXEVSA-N	248.322	2.522	0	1	BFAF	
O=C(O)CC=CCCCCCCCCO	2356854688	RRJILZUCEDMMNU-UHFFFAOYSA-N	214.305	2.740	0	1	BFAF	
C/C(=C/CC[C@@](C)(O)c1ccc(C)cc1)CO	13377455	GIBUWLSTZDPUEL-KSKAUBAUSA-N	234.339	2.921	0	1	BFAF	
CCC1(CC)CC(=O)N(Nc2ccccc2)C1=O	40401979	MPSJYXMSZPPNPM-UHFFFAOYSA-N	246.310	2.579	0	1	BFAF	
CC1=CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12	40836357	FQTDJSUKIPVNPW-ZSAUSMIDSA-N	238.371	2.747	0	1	BFAF	
COc1cccc([C@]23CCC[C@H]2CN(C)C3)c1	72141362	ZUYOKFFWVNAACC-DZGCQCFKSA-N	231.339	2.679	0	1	BFAF	
CCOC(=O)c1cc2c3ccccc3nc-2c[nH]1	100640623	QWWODAPIEHJFQG-UHFFFAOYSA-N	240.262	2.844	0	1	BFAF	in-vivo
CC(C)(O)/C=C\[P@@](C)(=O)c1ccccc1	102978924	NIPXRPWOSZSPPP-FJVVXJACSA-N	224.240	2.589	0	1	BFAF	
NC(=O)c1ccc(CCCc2ccccc2)cc1	474609050	NZYADVIYOXKOIM-UHFFFAOYSA-N	239.318	2.961	0	1	BFAF	
CCOc1cc(-c2cccc(F)c2)nn1C(C)=O	587871064	YHMGTUCHMFZMSC-UHFFFAOYSA-N	248.257	2.748	0	1	BFAF	
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N	1857571569	OTQHFPJXKACHHP-UONOGXRCSA-N	219.328	2.852	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@]3(CO3)[C@@H]2[C@H](O)C1	13381238	QDTYMXJKSUYKAQ-QRTUWBSPSA-N	236.355	2.765	0	1	BFAF	biogenic
CCCN(CCC)[C@@H]1Cc2ccc(O)cc2C1	13471352	CGVTXQCPDIZHAI-CQSZACIVSA-N	233.355	2.981	0	1	BFAF	
Oc1cccc2c1C[C@@H](Cc1ccncc1)C2	13736324	HMFZHKWCZQZHQP-LBPRGKRZSA-N	225.291	2.745	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@H](C(C)(C)O)[C@H](O)C1	15264984	BTMJNLJGHRFXRA-NZPIUUIZSA-N	238.371	2.891	0	1	BFAF	biogenic
CSc1nc(NC2CCC2)c2cccnc2n1	27648940	VXXKRJRYVMJXLS-UHFFFAOYSA-N	246.339	2.711	0	1	BFAF	
[O-][n+]1onc2cc(/C=C/c3ccccc3)ccc21	28648479	CWZSPVXVZKGUJF-VOTSOKGWSA-N	238.246	2.632	0	1	BFAF	
COC(=O)C1=C(c2ccc(O)cc2)CCCC1	28714385	QXYYDFAFOMWDHD-UHFFFAOYSA-N	232.279	2.893	0	1	BFAF	
C[C@@H]1CN(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)C2	29484220	WRTHKCNGTIHYHI-HCKVZZMMSA-N	231.339	2.546	0	1	BFAF	
CC1=NC[C@@H](c2ccc(Cl)cc2)CC(=O)O1	40423796	AMCCGUMHQCQCRY-JTQLQIEISA-N	237.686	2.789	0	1	BFAF	
O=c1oc(-c2ccc3ccccc3c2)ns1	95588503	WZELKOIZKSDATD-UHFFFAOYSA-N	229.260	2.917	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@]3(C)O[C@@H]1C[C@@]23O	95912118	QQNHBAYETINYSR-VQJWOFKYSA-N	236.355	2.907	0	1	BFAF	biogenic,in-vitro
CC[C@H](CCn1cncn1)c1ccc(OC)cc1	103214239	XTFHBRLCGCCBDB-GFCCVEGCSA-N	245.326	2.871	0	1	BFAF	
CCOC(=O)[C@H](C)[C@@H](O)c1ccccc1Cl	299828136	GXYPYZDAMQRICZ-LDYMZIIASA-N	242.702	2.573	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2cccc(O)c2[nH]1	586914570	WMWOEYLFXKAJPO-BXKDBHETSA-N	246.310	2.941	0	1	BFAF	
CCCC[C@]1(C(C)=O)NCCc2c(C)ccnc21	963073437	QCBQNBITSSUWBM-OAHLLOKOSA-N	246.354	2.510	0	1	BFAF	
CNc1cc(N)nc(-c2cccc(C)c2C)c1	1857578779	FAXYHKSXLZWVLG-UHFFFAOYSA-N	227.311	2.989	0	1	BFAF	
C=C1CC[C@H](O)[C@H](C)C(=O)C[C@@H]2[C@H]1CC2(C)C	14445392	QCTCLSCIOSFPNY-RVMXOQNASA-N	236.355	2.955	0	1	BFAF	biogenic
CC(C)c1ccc(Oc2cnc(=O)[nH]c2)cc1	25980291	MHROBGSJSMUUTR-UHFFFAOYSA-N	230.267	2.686	0	1	BFAF	
C[C@@H](c1cc2ccsc2s1)N(O)C(N)=O	26146871	MPKUBEKKAWQRAF-YFKPBYRVSA-N	242.325	2.794	0	1	BFAF	
C[C@@H](N)Cn1ccc2c1-c1cc(F)ccc1C2	26662276	ZVNLKYKYTUASSW-SECBINFHSA-N	230.286	2.546	0	1	BFAF	
C[C@H]1N(C)[C@H]2CCC[C@]1(c1cccc(O)c1)C2	33828059	JKOWKYCFCWDUJV-ZLDLUXBVSA-N	231.339	2.907	0	1	BFAF	
c1cnc2c(c1)Nc1ccncc1S2	205333451	IONJPFYIUBPWQZ-UHFFFAOYSA-N	201.254	2.685	0	1	BFAF	
C[C@H](O)C/C=C1\C(C)(C)[C@H]2CC[C@]1(C)O2	238758884	HQLPIWZTDPELBP-BUJCOBECSA-N	210.317	2.661	0	1	BFAF	
CC(C)(O)[C@@H]1CC[C@]2(C)C=CC[C@@](C)(O)[C@H]2C1	238771567	XLMZJOLBMYRLCZ-PAPYEOQZSA-N	238.371	2.891	0	1	BFAF	
CC(C)[C@@H]1CCC2=C[C@@H](O)C[C@](C)(O)[C@]2(C)C1	238772767	PBEKLXCZESBENG-NGFQHRJXSA-N	238.371	2.891	0	1	BFAF	
CO[C@@H]1C=C(/C=C/c2ccccc2)OC(=O)C1	238784546	SAGHRZGOMJHCOS-SBDDDAINSA-N	230.263	2.546	0	1	BFAF	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccccc2[nH]1	587960938	CTTYFIXXYWUCHT-VHSXEESVSA-N	228.295	2.721	0	1	BFAF	
COC(=O)CCC(=O)CC=CCc1ccccc1	2356522632	NVTLHCWZEDNHAB-UHFFFAOYSA-N	246.306	2.698	0	1	BFAF	
CCCc1ccc(OCCc2c[nH]cn2)cc1	18832	KSAZIDHNIGOAOZ-UHFFFAOYSA-N	230.311	2.984	0	1	BFAF	
C#C[C@@H]1CC[C@]2(C)C=CC[C@H](CO)[C@H]2C1	14922755	GJZDVRWPSAQWEN-SYQHCUMBSA-N	204.313	2.611	0	1	BFAF	biogenic
CC1=C[C@@H]2CC3=CC(=O)O[C@@]3(O)C(C)(C)[C@@H]2CC1	15222092	DKCBQKUYOUNXGH-IXPVHAAZSA-N	248.322	2.561	0	1	BFAF	biogenic
CS(=O)(=O)c1ccc(/C=C/c2ccco2)cc1	64549919	WFCBWFJZEUDGIS-QPJJXVBHSA-N	248.303	2.854	0	1	BFAF	in-vivo
C[C@@H]1CC[C@]23CCC(=O)[C@]12C(C(=O)O)=CC3(C)C	86037780	DZZUDKWCIAKSGQ-DFKRKDTASA-N	248.322	2.803	0	1	BFAF	
C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1cc(O)cc(O)c1)C2	100053087	VRWQFJFRMYXBTD-ITDIGPHOSA-N	247.338	2.612	0	1	BFAF	
CCn1cnc2c(-c3ccc(F)cc3)cnnc21	150102084	UVLBGLSQXYKNIX-UHFFFAOYSA-N	242.257	2.652	0	1	BFAF	
CCCCN1CC[C@@H](c2cccc(O)c2)C1	213244578	JYIJFUATJBLBJG-CYBMUJFWSA-N	219.328	2.982	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)C)O2	587405283	KGLNAEWMFPPIHU-LBPRGKRZSA-N	233.311	2.957	0	1	BFAF	
CCCN1CC[C@H]2CC(=O)C[C@H]3CCC[C@@H]1[C@H]23	1772583049	ZSGSKGCEZSNUNI-OSRDXIQISA-N	235.371	2.866	0	1	BFAF	
N[C@@H]1CC(=O)c2c1sc(Cl)c2Cl	3592542	JYVIFCPTXRVVQK-UWTATZPHSA-N	222.096	2.641	0	1	BFAF	
Clc1ccc([C@H]2CC[C@@H]3CC[C@H]2N3)cn1	29472123	OPJHXZMPMOOVSN-GMTAPVOTSA-N	222.719	2.733	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1CC(=O)C[C@@H]21	29480553	WRSPLSBXVYMANN-LKFCYVNXSA-N	216.280	2.704	0	1	BFAF	
C[C@@H](Cc1ccccc1)[C@H]1CCCC(=O)O1	220790292	BVPKMAVQFAHVAM-WCQYABFASA-N	218.296	2.961	0	1	BFAF	
C[C@H]1CC[C@@]23C[C@]1(C)[C@@H](O2)[C@H]1[C@@H]3CC[C@@]1(C)O	238741609	ZZIIQFIUUNNRQC-IQGPVAMUSA-N	236.355	2.741	0	1	BFAF	
CC(C)(Cl)c1nc2cccc(O)c2[nH]1	587008249	MNAFGSGOGFQOQE-UHFFFAOYSA-N	210.664	2.742	0	1	BFAF	
OC[C@@H]1CC=C(c2ccc(O)cc2)CC1	1857621410	MYAIQRNKPPZSBG-SNVBAGLBSA-N	204.269	2.568	0	1	BFAF	
CC(C)=CCc1c(O)ccc(C=CC(=O)O)c1O	2356523307	MRMWRWJVPXDMEJ-UHFFFAOYSA-N	248.278	2.704	0	1	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@]3(O)C[C@H](C)[C@@H]2CC1	14453927	RWJJVKLAZRADKP-CCUNJIBTSA-N	248.322	2.705	0	1	BFAF	biogenic
O=Cc1cc(-c2ccc3c(c2)CCO3)ccc1O	96312854	CUMLZVSGYBCTCA-UHFFFAOYSA-N	240.258	2.807	0	1	BFAF	
CCCCn1[nH]cc2nc(-c3cccnc3)nc1-2	103584562	DKAIBSNHDQADGM-UHFFFAOYSA-N	241.298	2.573	0	1	BFAF	
O=C1CCC[C@@H]([C@H]2C[C@@H]2c2ccccc2)O1	220790891	HCUZSUWEMNNKAZ-AGIUHOORSA-N	216.280	2.886	0	1	BFAF	
CCCC/C=C\c1nc2cncnc2[nH]1	587965330	JVXSTFJPCMSHJL-WAYWQWQTSA-N	202.261	2.556	0	1	BFAF	
CC(C)Cc1ccc([C@H](C)N(O)C(N)=O)cc1	13605381	FBLDKAJQWYMCKR-JTQLQIEISA-N	236.315	2.716	0	1	BFAF	in-vivo
CC1=C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H](O)C[C@@H]1O	14416910	GYYSPLLFNGCFSK-XFMPKHEZSA-N	238.371	2.891	0	1	BFAF	biogenic
Cc1cc2c3c(cc(C)n2C)cc(=O)cc3o1	45348946	UNQYOUBBRGJWDZ-UHFFFAOYSA-N	227.263	2.902	0	1	BFAF	
C/C(CO)=C1/CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782058	VCKNBYBUMOAFMV-GBSYVPSMSA-N	236.355	2.502	0	1	BFAF	endogenous,in-man
O=C1CCCC[C@@H]1C(=O)c1ccccc1[N+](=O)[O-]	221502821	OYOVMCBHEPMMKJ-JTQLQIEISA-N	247.250	2.537	0	1	BFAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccnc(O)c2[nH]1	587968367	ZXZOXEGPTOYHBR-RKDXNWHRSA-N	229.283	2.733	0	1	BFAF	
Cc1c(O)cc(O)c2c1[C@@H](C)[C@H](C)CC2=O	2356528121	QRGKYMHXCFTJJI-RQJHMYQMSA-N	220.268	2.732	0	1	BFAF	
CCCc1c(Cl)c(OC)cc(O)c1C(=O)O	2356831620	JRBWSDAHJPBRDM-UHFFFAOYSA-N	244.674	2.705	0	1	BFAF	
C[C@H](C1=NCCN1)c1cccc2ccccc12	13450502	VWIAFKHHBIYXKV-NSHDSACASA-N	224.307	2.945	0	1	BFAF	
NC1=N[C@H](c2ccccc2)Cc2cccc(F)c21	25976329	OTLLMGWJZKFCGF-ZDUSSCGKSA-N	240.281	2.828	0	1	BFAF	
Cc1cc2c3c(c1)c1c(n3CCNC2)CCC1	26578408	CEQIGJXBXWLXPJ-UHFFFAOYSA-N	226.323	2.542	0	1	BFAF	
Cc1ccc([C@H]2C[C@H]3CC[C@H]4[C@@H]2C(=O)CN43)cc1	26820638	NWRMTPHQJUHLJH-HGTKMLMNSA-N	241.334	2.514	0	1	BFAF	
CN1CCC[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	26834156	NNDATQSUZGLGQT-SMDDNHRTSA-N	226.323	2.902	0	1	BFAF	
c1nc2nc(-c3ccc4c(c3)CCCC4)cn2[nH]1	45245249	QQRWMNHUJQNCOT-UHFFFAOYSA-N	238.294	2.603	0	1	BFAF	
CCCCc1cc(OC)c(OC)cc1O	299838522	UXWVJBLCQQZGBV-UHFFFAOYSA-N	210.273	2.752	0	1	BFAF	
Oc1ccc(-c2nc(C3CCNCC3)co2)cc1	1772604938	OEYOTMFLSASEFC-UHFFFAOYSA-N	244.294	2.514	0	1	BFAF	
Cc1cccc(OCCc2c(C)n[nH]c2C)c1	210533	IFEWRCFVZRRFRQ-UHFFFAOYSA-N	230.311	2.956	0	1	BFAF	
COc1ccc2c(c1)CCC[C@@]21CCN(C)C1	27736218	DQDBBLKLJQIXFD-HNNXBMFYSA-N	231.339	2.605	0	1	BFAF	
CCCn1cnc2cc3c(cc21)[C@@H]1CNC[C@H]3C1	28527417	WBYFNWHZLPPQST-MNOVXSKESA-N	241.338	2.620	0	1	BFAF	
COc1cc2[nH]c3c(c(=O)c2cc1C)CCCC3	72107759	XAKWPLORTYQCFB-UHFFFAOYSA-N	243.306	2.724	0	1	BFAF	
CCCCN1N=C(C)N(CCCC)N=C1C	96937988	CVRYMFZNDLOJQS-UHFFFAOYSA-N	224.352	2.871	0	1	BFAF	
CCCCOc1cc(C(C)=O)nc(C(C)=O)c1	223366547	HIONVKQXLAZQTJ-UHFFFAOYSA-N	235.283	2.666	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2ccc3ncccc3c2[nH]1	586917225	OEZSDLRNYRHURJ-JVXZTZIISA-N	225.251	2.571	0	1	BFAF	
N[C@@H](N=O)c1ccc(Cl)cc1Cl	957589315	ANBXXDRGJZBEKL-ZETCQYMHSA-N	205.044	2.717	0	1	BFAF	
CC(=O)c1cc2ccc(Cl)cc2oc1=O	1857630756	NLCSZBMHKPLFFJ-UHFFFAOYSA-N	222.627	2.649	0	1	BFAF	
CC(C)C=C1CN2CCCC[C@@H]2[C@](C)(O)C1	2356744768	IDHCJVREQNIIJH-ZIAGYGMSSA-N	223.360	2.578	0	1	BFAF	
Cc1cc2c(cc1O)[C@H](C)[C@@H](C=CC(C)(C)O)O2	2356781284	IFUZUQKJCKPEIC-GXFFZTMASA-N	248.322	2.892	0	1	BFAF	
C1=C2C3=[N+](CCCC3)C[C@H]2Cc2ccsc21	1656753	TVUYQZUUHFSYPG-LLVKDONJSA-N	230.356	2.955	0	1	BFAF	
CCc1nc2cc3c(cc2o1)[C@H]1CNC[C@@H]3C1	28526486	WJCOITLYDIUVCM-DTWKUNHWSA-N	228.295	2.564	0	1	BFAF	
C[C@H]1CCC[C@]2(C)C[C@H](O)[C@@H](C(C)(C)O)C[C@@H]12	40835959	NDANZYJNKFBEFO-MJDBTJCESA-N	240.387	2.971	0	1	BFAF	
C[C@H]1N(C)[C@H]2CCC[C@@]1(c1ccc(O)cc1)C2	101146404	PEYNAHYOLHUKKH-OSAQELSMSA-N	231.339	2.907	0	1	BFAF	
CC1(C)CC(=O)c2cc(O)cc(Cl)c2O1	200945369	PWQMDQRKRVDIMZ-UHFFFAOYSA-N	226.659	2.789	0	1	BFAF	
O=C1C[C@H](C2CCCC2)Oc2cc(O)cc(O)c21	299824980	FGNPXTVOIOTASC-GFCCVEGCSA-N	248.278	2.622	0	1	BFAF	
C[C@H]1CCO[C@H](c2nc3ccc(CO)cc3[nH]2)C1	586916679	BYPQHCWDNADINK-ZANVPECISA-N	246.310	2.543	0	1	BFAF	
Cc1ccnc2[nH]c(C(C)(C)Cl)nc12	587009166	YBQSVYFCDROPNO-UHFFFAOYSA-N	209.680	2.740	0	1	BFAF	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(F)c2[nH]1	587963375	NJNXILFXKXMHGD-IUCAKERBSA-N	246.285	2.860	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@H]3NC(=N)NC(=C23)[C@H]1CC	2356802312	SCBTVUSKBJXZBF-NOOOWODRSA-N	247.386	2.993	0	1	BFAF	
CC1=C(C(=O)O)C(=O)[C@]2(C)CC[C@@H]3[C@H](C)CC[C@]132	14509421	GVYNVUXBKXMTRQ-YFMBFUTQSA-N	248.322	2.803	0	1	BFAF	biogenic
CN1CCc2cccc3c2[C@@H](CCC3)C1	27715124	FVQDUFUAKQSUQC-ZDUSSCGKSA-N	201.313	2.594	0	1	BFAF	
CCCCN[C@H]1CCc2ccc(O)cc2C1	28865188	DQNYYQHCWYAOPC-ZDUSSCGKSA-N	219.328	2.639	0	1	BFAF	
CSc1ccc2nc([C@@H]3CCOC3)[nH]c2c1	586913923	VRJUHMPCENWMIK-MRVPVSSYSA-N	234.324	2.789	0	1	BFAF	
COc1cc2c3c(c1)O[C@H](C1CCC1)[C@@H](C2)C3=O	587446698	DIEVGEVVAJOSNW-XHDPSFHLSA-N	244.290	2.611	0	1	BFAF	
Cc1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2c1C	587969444	SULBLHTZAKSKIC-GGWOSOGESA-N	242.278	2.834	0	1	BFAF	
CC(=O)CC[C@@H](/C=C/C(C)(C)O)C(C)C	14485636	ONFMWCGMHFLYNV-BCPZQOPPSA-N	212.333	2.955	0	1	BFAF	
C[C@@H](N)Cc1c2ccoc2c(CO)c2ccoc12	28821731	FDRFLIMLVDNQAP-MRVPVSSYSA-N	245.278	2.561	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1C[C@@H](O)CC[C@@H]21	29477931	QQFIENYLNLQMEZ-SCDSUCTJSA-N	232.323	2.886	0	1	BFAF	
Cc1cc(O)c(C(=O)Cc2ccccc2)cc1O	64573769	LPTQYBPKWLCBQS-UHFFFAOYSA-N	242.274	2.832	0	1	BFAF	
C/C1=C\[C@@H]2OC(=O)[C@@H](C)[C@@H]2C(=O)C/C(C)=C/CC1	238761800	URFIRNUWJNYBPE-PMDYPDMKSA-N	248.322	2.810	0	1	BFAF	
CSC=CN(C)C(=O)C=Cc1ccccc1	2356566388	GGZNHXWTLPWZRA-UHFFFAOYSA-N	233.336	2.992	0	1	BFAF	
CCN(CC)[C@H]1CCc2c(ccc(C)c2O)C1	5848826	PXIYNSZCCXGPJE-ZDUSSCGKSA-N	233.355	2.900	0	1	BFAF	
CC1(C)CCC[C@@]1(C)[C@H]1C=C[C@](C)(O)[C@@H](O)C1	13412340	ARHSYZHJIIRPIL-JURCDPSOSA-N	238.371	2.891	0	1	BFAF	biogenic
O=Cc1ccc(/C=C2\CN3CCC2CC3)cc1	40918376	WHMBRGWAMLKWOZ-OQLLNIDSSA-N	227.307	2.608	0	1	BFAF	
COc1cccc(C2=NOCc3ccccc32)c1	103184747	SFKNHRRIFPBYTR-UHFFFAOYSA-N	239.274	2.978	0	1	BFAF	
Cc1nc2ccc(O)nc2n1-c1ccccc1F	118272344	JHORRQMOGNICTA-UHFFFAOYSA-N	243.241	2.574	0	1	BFAF	
CO[C@H]1[C@H]2[C@@H](CC[C@@]3(C)[C@H](O)CC[C@@H]13)C2(C)C	238757863	RGHDGQIPRCRPAR-AOWZIMASSA-N	238.371	2.845	0	1	BFAF	
Oc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587967017	KCRJQGDFCTUSNH-IQJOONFLSA-N	226.279	2.948	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H]2CCC(=O)[C@H](C(C)C)[C@@H]21	2356651108	CAZUDQZWTAQDDH-UVLXDEKHSA-N	222.328	2.853	0	1	BFAF	
COc1cccc2c1CCC[C@@H]2c1c[nH]cn1	3826265	XVZVIENUEBLQBC-NSHDSACASA-N	228.295	2.887	0	1	BFAF	
COc1ccc(C2=NO[C@@H]3CCCC[C@H]23)cc1	95579002	NHFZXSDWJUYGLY-QWHCGFSZSA-N	231.295	2.988	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2)CO	2356506553	FUCSWNUANQRDFQ-XGUBFFRZSA-N	238.371	2.892	0	1	BFAF	
CCC[C@H](C)c1c(O)nc(=S)n(CC)c1O	16662341	UJUKZIQDACSBRV-ZETCQYMHSA-N	242.344	2.947	0	1	BFAF	
C/C=C(C)/C=C/c1cc(OC)c(C)c(=O)o1	34383165	LQSMAOQNHULBNK-CQCRHSALSA-N	220.268	2.936	0	1	BFAF	
Clc1ccc(C2=C[C@H]3CNC[C@H](C2)C3)cn1	101576781	QCSSDCOJCQOKNU-UWVGGRQHSA-N	234.730	2.748	0	1	BFAF	
O=C1OC[C@H]2[C@@H]1CC=C[C@@H]2c1ccccc1	169347717	LRCJLSYEUDKVPB-FRRDWIJNSA-N	214.264	2.519	0	1	BFAF	
Fc1ccccc1CCc1nc2cccnc2[nH]1	587148331	BGYQZJGFCLVIKI-UHFFFAOYSA-N	241.269	2.882	0	1	BFAF	
Cc1c(C(N)=O)[nH]c2c(C)cc(Cl)cc12	587627426	VRYGMYUYEVVNIG-UHFFFAOYSA-N	222.675	2.537	0	1	BFAF	
Cc1ccccc1C(=O)[C@@H]1CCCC[C@@H]1O	1613658	YKTWQAXNOMZIKM-OLZOCXBDSA-N	218.296	2.729	0	1	BFAF	
COC1(c2ccccc2)[C@@H]2CCC[C@@H]1CN(C)C2	2018829	YFFNPIAPUDUYAU-HUUCEWRRSA-N	245.366	2.890	0	1	BFAF	in-man
COC[C@@]1(C)Cc2c(C)c(N)c(C)c(C)c2O1	13652098	YGBPWCHWOUYRMI-CQSZACIVSA-N	235.327	2.534	0	1	BFAF	
O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1	26743687	LHVRINJTNXVOIY-SRVKXCTJSA-N	234.320	2.873	0	1	BFAF	
C=Cc1ncnc2ncn(Cc3ccccc3)c12	27986440	YACBVBOSTAECAL-UHFFFAOYSA-N	236.278	2.518	0	1	BFAF	
CCCCCCc1cccc(N2CCNCC2)n1	28244569	JHZPBMMAYNSZEG-UHFFFAOYSA-N	247.386	2.614	0	1	BFAF	
C/C=C/c1nc2ccc(Cl)cc2c(=O)[nH]1	29465914	GHEYHMWOKSGZGR-NSCUHMNNSA-N	220.659	2.610	0	1	BFAF	
COc1ccc2c(c1)CC1(CCCCC1)[N+]([O-])=C2	34279482	OHGXCDCEUCQCQZ-UHFFFAOYSA-N	245.322	2.883	0	1	BFAF	
Clc1ccc(C2=C[C@@H]3CC[C@@H](C2)N3)cn1	100049791	XBTJJUGPWLAITG-QWRGUYRKSA-N	220.703	2.643	0	1	BFAF	
CN(C)CCC[C@]1(O)C[C@H]2C[C@@H]3C[C@H](C[C@@H]31)C2	102250593	HCONCBNXIFELLM-MRLBHPIUSA-N	237.387	2.515	0	1	BFAF	
Cc1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1	586885158	AGALFQDGIDRTQL-ZDUSSCGKSA-N	218.300	2.735	0	1	BFAF	
CC[C@H](C)c1cc(=O)c2c(O)cc(O)cc2o1	1857544306	CAGOJJRSKZLRLC-ZETCQYMHSA-N	234.251	2.718	0	1	BFAF	
Cc1[nH]nc2nc(O)cc([C@H]3C[C@H]4CC[C@@H]3C4)c12	1911575920	QDBDQCPCCISOSM-AEJSXWLSSA-N	243.310	2.876	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@@H]2C[C@@H]1O	13381590	DGZPYTSARMEKSO-SBJFKYEJSA-N	238.371	2.747	0	1	BFAF	
O=C(CSc1ccc(O)cc1)C(F)(F)F	13859414	KMHRGFPYNYHMNU-UHFFFAOYSA-N	236.214	2.616	0	1	BFAF	
CC1=C2[C@@H]3CC(C)(C)C[C@@H]3C(=O)[C@@]2(C)C[C@@H]1O	14947810	DMCWLSNRDNSZJO-LMCGPQHNSA-N	234.339	2.709	0	1	BFAF	biogenic
CCCOc1cc2nncn2c2ccccc12	40834243	BSFZPTIRMIQSKL-UHFFFAOYSA-N	227.267	2.671	0	1	BFAF	
Clc1cc(Cl)c([C@@]23CNC[C@@H]2C3)s1	40848201	CSGVNYGGRSSQOB-CDUCUWFYSA-N	234.151	2.916	0	1	BFAF	
C[C@H](OCN1C=CN(C)/C1=C/N=O)C(C)(C)C	135876138	ZFCHOIXDYDKFFE-DFYQSJSGSA-N	239.319	2.679	0	1	BFAF	
O=Cc1ccccc1-c1cccnc1F	139959929	HHIAGDSJUBDQOR-UHFFFAOYSA-N	201.200	2.700	0	1	BFAF	
CCC[C@@H](C)n1cc(C(=O)C(F)F)cn1	473115256	QYQDDTYKNXOHKG-SSDOTTSWSA-N	216.231	2.692	0	1	BFAF	
COC1=CC(=O)O[C@@H](c2cccc(Cl)c2)C1	39642753	LHTQFBMXTJCJCX-LLVKDONJSA-N	238.670	2.858	0	3	BFAF	
O=C1CC(=O)c2c(Cl)sc(Cl)c21	5544347	OLVGTMSJUKGPQB-UHFFFAOYSA-N	221.064	2.824	0	1	BFAF	
COc1cc(-c2ccccc2O)cc(OC)c1O	13377070	CBRMMSPVRYLGMR-UHFFFAOYSA-N	246.262	2.782	0	1	BFAF	biogenic
CC(C)=CCC[C@H](C)CCOP(=O)(O)O	13544687	QQFRZBHFFRFUIH-JTQLQIEISA-N	236.248	2.868	0	1	BFAF	
CN(C)[C@@H]1[C@@H]2CC[C@@H](CC2=O)[C@@H]1c1ccccc1	27547536	ZZMFVOLMDOEQOA-LQKXBSAESA-N	243.350	2.699	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1CC(=O)C[C@@H]21	29480563	WRSPLSBXVYMANN-YMTOWFKASA-N	216.280	2.704	0	1	BFAF	
CC(C)C[C@]1(O)C2=NCCCN2c2ccccc21	40504033	GEKSDCKALXEUEE-OAHLLOKOSA-N	244.338	2.543	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)OC[C@@H]2[C@@H](C)[C@H](C)O1	2356322708	AAHWXJUQSQBIIS-AATLWQCWSA-N	224.300	2.514	0	1	BFAF	
O=C(O)NC(=O)Nc1cc(Cl)cc(Cl)c1	38190822	XWCIJFKZPJAVKD-UHFFFAOYSA-N	249.053	2.793	0	1	BFAF	in-vitro
C=CC(=O)OC1=C[C@H](C2CC=CC2)CC1	84403427	YXQKJBRBCXKJTA-LLVKDONJSA-N	204.269	2.976	0	1	BFAF	
Cc1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2n1	586884343	HDWAQQJVYBRULA-SNVBAGLBSA-N	243.310	2.883	0	1	BFAF	
Cc1cc(F)c2[nH]c(-c3cncc(N)c3)nc2c1	587253973	IYOFSKHAOOHTIG-UHFFFAOYSA-N	242.257	2.655	0	1	BFAF	
Cc1cnc(Cl)c2[nH]c(CC3CC3)nc12	587959589	PVOORIFWVIYODL-UHFFFAOYSA-N	221.691	2.872	0	1	BFAF	
COc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cn1	587968266	YILBPTPYAPDQBT-IVZWLZJFSA-N	241.294	2.646	0	1	BFAF	
Cn1cc(-c2ccccn2)c2ccccc2c1=O	1857759215	CLQIKKRANXIIBU-UHFFFAOYSA-N	236.274	2.601	0	1	BFAF	
COc1ccc2c(c1)CCCc1cn[nH]c1-2	5503259	PBANTNIGHLWVJO-UHFFFAOYSA-N	214.268	2.574	0	1	BFAF	
Cc1ccc(N2Cc3ccncc3C2=O)cc1C	6737268	JRTLCHUCALLMLI-UHFFFAOYSA-N	238.290	2.859	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)C[C@@H](O)[C@@]12C3	14919119	DDUWSZBURGHFEW-QPTZUFNXSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
CC(C)(C)NCC1=CC(C)(C)N(O)C1(C)C	27095389	HYEATYZTOYNBDR-UHFFFAOYSA-N	226.364	2.563	0	1	BFAF	
CC[C@@H](C)Nc1nc(N2CCC[C@@H]2C)ncc1C	82201630	HIEJAABYPYIMNJ-NEPJUHHUSA-N	248.374	2.984	0	1	BFAF	
Cc1nc2ccccc2c2c1C(=O)[C@H](C)C2=O	103290739	WLISRRRBDMIEGY-ZETCQYMHSA-N	225.247	2.558	0	1	BFAF	
CCC/C=C1/OCC(=O)c2cccc(O)c21	103578710	MPUFGOPEVKRAGE-KPKJPENVSA-N	218.252	2.746	0	1	BFAF	biogenic,in-vitro
CCOP(=O)(OCC)[C@@H](C)NC(C)(C)C	196477152	JDZFNZVIDKJSNN-VIFPVBQESA-N	237.280	2.987	0	1	BFAF	
CC(C)C1=C[C@H]2[C@@H](CC[C@@]2(C)O)[C@](C)(O)CC1	238781599	IWQURBSTAIRNAE-LXTVHRRPSA-N	238.371	2.891	0	1	BFAF	
CC[C@@H](C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587405895	OBNBXNZWZUUUSV-RNCFNFMXSA-N	233.311	2.957	0	1	BFAF	
O=NCc1ccc(-c2ccc(C(=O)O)cc2)o1	957671153	ADUINQYQFXCZNM-UHFFFAOYSA-N	231.207	2.911	0	1	BFAF	
N[C@@H]1CCCc2c1[nH]c1cc(F)c(F)cc21	1857571119	MVJHTYJTQAZZJL-SNVBAGLBSA-N	222.238	2.782	0	1	BFAF	
CCCCc1c(C)cc2c3c(nc(=N)[nH]c13)CC2	2356801858	QWZHCEMCVBAUKJ-UHFFFAOYSA-N	241.338	2.792	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](SC(=N)N)C2	4777718	FZEFQGSAQNAPBA-FYBVGQRMSA-N	212.362	2.828	0	1	BFAF	
CC(/C=C/C(=O)O)=C\C=C\CCC[C@H](C)O	14489873	XUQIFDLHGYJREE-YXLZHXMMSA-N	224.300	2.681	0	1	BFAF	
Cc1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2	27993749	MHOKZUYLYFIADZ-LURJTMIESA-N	247.077	2.690	0	1	BFAF	
O=c1cc(-c2ccncc2)c2ccccc2[nH]1	29040027	FSZKRMNNWCSHMK-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
CN1C[C@H]2C[C@]2(c2ccc(Cl)cc2)C1	101757977	PPQBFAJGVREEGL-ZYHUDNBSSA-N	207.704	2.543	0	1	BFAF	
C[C@H]1[C@@H](O)CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	238754284	XALRSJNOMCWQJW-BIGJJFBESA-N	240.387	2.971	0	1	BFAF	
Cc1cc2cc(O)[nH]c2cc1Br	957575437	SEXLEPKDFGFFSX-UHFFFAOYSA-N	226.073	2.944	0	1	BFAF	
Cc1cc(CCN)ccc1Oc1ccc(O)cc1	13681053	URYPTTOZTOPPDW-UHFFFAOYSA-N	243.306	2.994	0	1	BFAF	
COc1ccc2c3c1CCN(C)[C@H]3CCC2	27710860	GWXSIXPDBSCOLU-LBPRGKRZSA-N	217.312	2.561	0	1	BFAF	
Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1	100867638	VLCFLKZFUAVLPR-UHFFFAOYSA-N	230.315	2.517	0	1	BFAF	
C/C1=C/CC(C)(C)[C@@H](O)[C@H]2C[C@@]2(C)[C@@H](O)CC1	169368784	RKDPETZBSSPSSM-VYSFGBHRSA-N	238.371	2.891	0	1	BFAF	
CC/C=C/CCOCN1C=CN(C)/C1=C\N=O	213280874	WGIPWXKYUNLUQJ-JOKBTEAVSA-N	237.303	2.601	0	1	BFAF	
CCCC/C=C\c1nc2cc[nH]c(=N)c2[nH]1	587965842	PUENBMSHZDMORP-WAYWQWQTSA-N	216.288	2.574	0	1	BFAF	
CCNC(=O)Nc1cc2cccc(C)c2cn1	1772583764	IVLZMCYASKXFFY-UHFFFAOYSA-N	229.283	2.685	0	1	BFAF	
COc1cc2c(C)cccc2ccc1=O	1857758825	VGTRRVYFVKZHFC-UHFFFAOYSA-N	200.237	2.517	0	1	BFAF	
CC1=C[C@H](O)[C@H](O)C(C)=C[C@H]2[C@@H](CC1)C2(C)C	2356614092	HMLUAIQJVMUHKN-ZOBORPQBSA-N	236.355	2.667	0	1	BFAF	
O=C(O)[C@]1(CCCCCc2ccccc2)CO1	1853735	MUHUCQUIGHLWDX-AWEZNQCLSA-N	234.295	2.643	0	1	BFAF	
COC(=O)c1cc2c(cc1O)[nH]c1ccccc12	14445254	SJVKEEPWQLIYIJ-UHFFFAOYSA-N	241.246	2.813	0	1	BFAF	endogenous,in-man
C[C@@H]1CCc2cc(CC(=O)O)cc(Cl)c2N1	29320945	QOPLJJSPASPGAN-SSDOTTSWSA-N	239.702	2.714	0	1	BFAF	
CCCCN[C@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]42)[C@@]1(C)[C@@H]53	195474301	LRNABWCLYGWJSN-GYOPUDFLSA-N	231.383	2.913	0	1	BFAF	
COc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1C	587258417	BCKUNXAQJVKROM-GFCCVEGCSA-N	247.342	2.926	0	1	BFAF	
CC(C)=CCc1ccc(O)c2c1[C@H](CCO)OC2	2356810686	BAJZDUQKKCNBKU-AWEZNQCLSA-N	248.322	2.855	0	1	BFAF	
C[C@H]1CC=C2C(C)(C)CC(=O)C[C@@]2(C)O1	15274345	PYUYJSFTZPYHDW-TVQRCGJNSA-N	208.301	2.869	0	1	BFAF	endogenous,in-man
CCC[n+]1cccc2c1CC[C@H]1CC[C@H](O)C[C@H]21	26261737	ZXASUIFTYKJPOW-IPYPFGDCSA-N	246.374	2.575	0	1	BFAF	
C[C@H]1N[C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@H]21	27210926	FMBYQEIJDWNYNT-FMPGBIOOSA-N	228.339	2.815	0	1	BFAF	
O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O	40877047	KJZBRZRRHIURGP-VOTSOKGWSA-N	249.269	2.992	0	1	BFAF	in-vivo
Cn1ccc2c1C(=O)Nc1ccccc1S2	220176704	IYVKOOZGLJVNRO-UHFFFAOYSA-N	230.292	2.742	0	1	BFAF	
O=C1C[C@H]2C[C@@H](C[C@H](C=Cc3ccccc3)O2)O1	2356644927	YFBYLKAKTMYKNB-BFHYXJOUSA-N	244.290	2.563	0	1	BFAF	
CC[C]1c2cc(O)c(OC)cc2C=CN1C	2356864108	YXKABPPSIQYDEE-UHFFFAOYSA-N	218.276	2.607	0	1	BFAF	
CCCCN(C(=O)C(C)C)c1ncc(C)o1	39246347	OYSBQIYYPMWEGL-UHFFFAOYSA-N	224.304	2.772	0	1	BFAF	
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@H](C2)[C@@]1(C)O)CO	70455034	DZAZSBAAFSSMAB-TVQMTGCFSA-N	238.371	2.892	0	1	BFAF	biogenic,in-vitro
S=c1[nH]cnc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2	72141077	GRSMZBIJGZOZAN-DJLDLDEBSA-N	246.339	2.850	0	1	BFAF	
CC1=C[C@H]2Cc3nc4[nH]ncc4c(N)c3[C@H](C1)C2	100092996	DAJQGVGIMGGYKT-RKDXNWHRSA-N	240.310	2.536	0	1	BFAF	
C[C@H]1CC[C@H](c2ccoc2)N2C[C@@](C)(O)CC[C@H]12	238747339	DZKOJPWTBVWCGX-MYPMTAMASA-N	249.354	2.966	0	1	BFAF	
CC1(C)[C@]2(O)CC[C@@]1(C)C1=CC[C@@](C)(O)[C@@H]1C2	238754572	CACULIXBSFBBKT-BEAPCOKYSA-N	236.355	2.645	0	1	BFAF	
COC(=O)[C@H](F)c1[nH]c2cc(F)ccc2c1C	587633395	AQOAKBGQUBCYKD-SNVBAGLBSA-N	239.221	2.799	0	1	BFAF	
C[C@H]1[C@H](C=CC=Cc2ccccc2)NCC[C@H]1O	2356579559	BDDSGELKWZUGTC-CWRNSKLLSA-N	243.350	2.615	0	1	BFAF	
CC=CCCc1cc(O)c2c(c1)O[C@H](C)[C@H]2CO	2356872856	ZBSDHRYEWAUMGA-ZYHUDNBSSA-N	248.322	2.758	0	1	BFAF	
Cc1coc2cc(CO)c3c(c12)C(=O)[C@H](C)CC3	15161612	SZOPCKPNYNJXGG-MRVPVSSYSA-N	244.290	2.999	0	1	BFAF	biogenic
CC[C@H](OC(C)=O)c1ccccc1OC(C)=O	28342859	DZRMDXUCPXGJPT-LBPRGKRZSA-N	236.267	2.626	0	1	BFAF	
Clc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1	95577101	PQBYYZBQJKBZMS-ZJUUUORDSA-N	234.730	2.748	0	1	BFAF	
Cc1ccc(-c2nc3cc[nH]cc-3n2)cc1	101346079	ZSWOQXOQMXKNAP-UHFFFAOYSA-N	209.252	2.885	0	1	BFAF	
CCCc1[nH]nc2oc(=O)c3ccccc3c12	584905317	URRDWILHXUGXPV-UHFFFAOYSA-N	228.251	2.622	0	1	BFAF	in-vitro
CC[C@@]1(C)C[C@H]1c1nc2ccnc(OC)c2[nH]1	586893841	YYBVAAQOEPNNGG-SDBXPKJASA-N	231.299	2.870	0	1	BFAF	
Cc1ccc(-c2cccn3c(=O)[nH]cc23)cc1	28762653	UUFFLUCXEKSTBT-UHFFFAOYSA-N	224.263	2.603	0	1	BFAF	
CC(C)N1CC[C@H](c2cccc(O)c2)C1	29247797	QBERVTCRCZTHSQ-LBPRGKRZSA-N	205.301	2.590	0	1	BFAF	
CC1=C2C[C@]3(C)[C@@H](C)CCC(=O)[C@@H]3C[C@H]2OC1=O	86036340	IXMDYOSMFGVWJY-JPRMETQZSA-N	248.322	2.644	0	1	BFAF	in-man
CC(C)(C)c1ccc(CN(O)N=O)cc1	87722619	QFZXXJUESMICGC-UHFFFAOYSA-N	208.261	2.857	0	1	BFAF	
COc1ccc(-c2nc3cc[nH]cc-3n2)c(C)c1	101331601	YFVPXFGRHTUKES-UHFFFAOYSA-N	239.278	2.894	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)[C@@H](O)C[C@](C)(O)[C@H]2CC1	238784374	NABFWTUELQMMDP-QTVXIADOSA-N	238.371	2.747	0	1	BFAF	
COC(=O)[C@H](C)c1cc2c3c(cccc3n1)CC2	587214824	VGWNHDPJMQAKHL-SECBINFHSA-N	241.290	2.610	0	1	BFAF	
CC[C@@H](C)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446438	WUATVEADBMHNOO-UQHVFFSPSA-N	246.306	2.857	0	1	BFAF	
CC=C(C)C=Cc1cc(OC)c(C)c(=O)o1	2356476894	LQSMAOQNHULBNK-UHFFFAOYSA-N	220.268	2.936	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2CC[C@@H](C2)[C@]1(C)O)CO	2356658076	DZAZSBAAFSSMAB-XQLPTFJDSA-N	238.371	2.892	0	1	BFAF	
CCCC(=O)NCCCc1cccc2ncoc12	27211912	ADFZAUSXPZLXMN-UHFFFAOYSA-N	246.310	2.677	0	1	BFAF	in-vivo
N[C@@H](c1ccsc1)c1nc2ccc(F)cc2[nH]1	587026131	UXMCSINPMGITLF-NSHDSACASA-N	247.298	2.812	0	1	BFAF	
C[C@@]1([C@H]2CCCN2)CCCCCCCC(=O)O1	2356442561	HXFUVYFNBRBBPM-OCCSQVGLSA-N	239.359	2.785	0	1	BFAF	
CC1=C[C@@H]2[C@H](C[C@@H]1O)C(C)=CC[C@H]2[C@@H](C)CO	2356526757	KOEIHUNMBSXMQT-RMEBNNNOSA-N	236.355	2.524	0	1	BFAF	
C[C@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@](C)(CO)O2	2356684158	KSWAXHCUYHGSQZ-DXUDUQDWSA-N	238.371	2.989	0	1	BFAF	
O=C(O)[C@@H](c1ccccc1)[C@H](O)[C@@H]1CC=CCC1	17147589	UUEPQVJAAMNTBT-HZSPNIEDSA-N	246.306	2.572	0	1	BFAF	
CCc1ccc2ccc3nc(C(=O)O)cn3c2c1	40466057	WWOVWBIXHHVEOS-UHFFFAOYSA-N	240.262	2.748	0	1	BFAF	
c1nc(N2CC[C@H]3CCCC[C@@H]32)c2cc[nH]c2n1	66258634	JKLNAJIHZIIHPB-PWSUYJOCSA-N	242.326	2.727	0	1	BFAF	
CC(C)(C)c1ccc2c(c1)c(NO)cc[n+]2[O-]	169315511	GYNNVKLGEFNIIH-UHFFFAOYSA-N	232.283	2.572	0	1	BFAF	
CS[C@H]1C[C@@H]2[C@@H](C[C@@]1(C)O)C2(C)C	195486561	BEBHJEIMSRXFJR-SDNRWEOFSA-N	200.347	2.535	0	1	BFAF	
Fc1cncc(-c2nc3cncc(Cl)c3[nH]2)c1	587177468	XXTKLYHJFAMHKJ-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
CCCCCC=CC[C@H](O)[C@@H]1CCCC(=O)O1	2356375043	NQHBRMZRQSNJIZ-STQMWFEESA-N	240.343	2.970	0	1	BFAF	
COc1c2c(cc3occc13)C[C@H](C)OC2=O	13408187	LJCCQQNTPLPSNX-ZETCQYMHSA-N	232.235	2.543	0	1	BFAF	endogenous,in-man
CNC(=O)c1cccc2c1Oc1ccccc1O2	13606119	KAISBFJKYGEXSM-UHFFFAOYSA-N	241.246	2.944	0	1	BFAF	
O=C(CCc1ccc(O)cc1)c1ccc(O)cc1	40952554	VWDLIENPFMYSKA-UHFFFAOYSA-N	242.274	2.913	0	1	BFAF	
C[C@@H]1C[C@H]2C[C@@H](O)[C@H]3CCCN4CCC[C@H]2[C@]34C1	95884283	ICWQJNDZXVMLCK-JXEZDRHFSA-N	249.398	2.658	0	1	BFAF	
CC(C)(O)/C=C/C[C@@]1(C)[C@H]2CC[C@]1(C)[C@H](O)C2	95912083	ZPMZHEDPVXDYLL-POKKVUPNSA-N	238.371	2.891	0	1	BFAF	biogenic,in-vitro
Cc1cccc(C)c1-n1cnc2ccc(O)nc21	118267904	DBHXWXCCPGHQOG-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
CN1C=CN(CCCc2ccccc2)/C1=C\N=O	211545138	RFYVINPFOQILHC-OWBHPGMISA-N	243.310	2.903	0	1	BFAF	
COC(/C=C\C=C\c1ccccc1)=C/C(=O)O	238738386	UEXUYEGMVWZTNW-DAPGFLKPSA-N	230.263	2.871	0	1	BFAF	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C2	523041724	FUBMXMWHBVRNBM-NBLIUIFLSA-N	248.322	2.799	0	1	BFAF	biogenic
CC[C@]1(C)C[C@H]1c1nc2ccnc(O)c2[nH]1	586892681	VLVYHJLCVNGBAM-JVXZTZIISA-N	217.272	2.567	0	1	BFAF	
CC(=O)Oc1cccc2c1OC(C)(C)C=C2	2356283833	CMQJLBJGHOIYQT-UHFFFAOYSA-N	218.252	2.796	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@@]3(C)CCC(CO)=C3[C@@H]2C1	2356324169	HGQHREUJQQAMKD-ZETOZRRWSA-N	234.339	2.711	0	1	BFAF	
C[C@H](CO)c1cc2c(cc1O)CCC[C@@H]2C	2356563905	DKBQCOYMWZZNQT-VHSXEESVSA-N	220.312	2.928	0	1	BFAF	
COc1ccccc1COC(=O)C=CSC	2356672609	QVZNPAXKNDLOKT-UHFFFAOYSA-N	238.308	2.615	0	1	BFAF	
COc1ccc(/C=C/[C@]2(C)C=CC(=O)O2)cc1	96921254	YAOQQJAXYJWUQD-RCQQVGEISA-N	230.263	2.580	0	1	BFAF	
CCOP(=O)(OCC)[C@H](C)NC(C)(C)C	196477163	JDZFNZVIDKJSNN-SECBINFHSA-N	237.280	2.987	0	1	BFAF	
C[C@@H]1CC[C@]2(O)C(C)(C)[C@H]3CC[C@]2(C)[C@@H]1[C@@H]3O	238740904	SWPQNHOZMJNCGC-QANKYFMGSA-N	238.371	2.581	0	1	BFAF	
N=c1cc2nc(-c3ccoc3C3CC3)[nH]c2c[nH]1	586902048	UBVBGZFOJQNWBW-UHFFFAOYSA-N	240.266	2.508	0	1	BFAF	
Cc1cncc2nc(-c3ncccc3Cl)[nH]c12	587065439	QONWWCNYALBRJV-UHFFFAOYSA-N	244.685	2.982	0	1	BFAF	
COc1ccc2c(-c3ccnc(N)c3)c[nH]c2c1	1772625131	WNHHPYALLUMZNM-UHFFFAOYSA-N	239.278	2.821	0	1	BFAF	
CO[C@H]1C=C(C=Cc2ccccc2)OC(=O)C1	2356539582	SAGHRZGOMJHCOS-ZDUSSCGKSA-N	230.263	2.546	0	1	BFAF	
CCC(=O)c1ccc(OCCc2c[nH]cn2)cc1	13758829	WVFFTJIGXOBNOU-UHFFFAOYSA-N	244.294	2.624	0	1	BFAF	
c1ccc(Oc2ccc(C3=NCCN3)cc2)cc1	13805936	YLHFIHLJVQFJFP-UHFFFAOYSA-N	238.290	2.829	0	1	BFAF	
COc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3	38918861	DWXKPCSGXWQVPL-UHFFFAOYSA-N	239.278	2.665	0	1	BFAF	
c1cn2c(ccc3nc4c(cc32)CCCC4)n1	40380704	RZGMHYNGSUKJFQ-UHFFFAOYSA-N	223.279	2.761	0	1	BFAF	
Cc1c(F)sc([C@H]2C=CNC=N2)c1C	218964712	OUESVILRUXCUOH-MRVPVSSYSA-N	210.277	2.690	0	1	BFAF	
Cc1cc2c3c(coc3c1)[C@@H](O)[C@H](O)[C@H]2C(C)C	238738751	MINGOCHWARMETQ-NWANDNLSSA-N	246.306	2.889	0	1	BFAF	
C[C@@H](F)[C@H](N)c1nc2cccc(Cl)c2[nH]1	587126092	VSAGDBQXSOUWNW-XRGYYRRGSA-N	227.670	2.574	0	1	BFAF	
Fc1cncc(-c2nc3c(Cl)ccnc3[nH]2)c1	587177306	UZLBSASDKZRCBT-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
CC(=O)Nc1c(C)[nH]c2cc(F)ccc12	587634657	ARAOCJAKNISQTQ-UHFFFAOYSA-N	206.220	2.574	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(CO)=C[C@@H]12	2356387103	HMMDOUGSSLPXAX-MXAVVETBSA-N	238.371	2.748	0	1	BFAF	
Cc1cc2c(C)c(O)c3c(c2o1)[C@@H](O)CCC3=O	2356826058	HVPSURWZNWORSR-JTQLQIEISA-N	246.262	2.765	0	1	BFAF	
CCOC(=O)/C=C1/N(C)c2ccccc2C1(C)C	3169140	QVDQLOOAPLLJQR-JLHYYAGUSA-N	245.322	2.861	0	3	BFAF	
CC(C)CC(=O)[C@@H](C)CCC(C)(C)O	14511619	YMTLJHRYMFKYSF-JTQLQIEISA-N	200.322	2.789	0	1	BFAF	biogenic
O=C1CCc2cc(-c3ccccn3)ccc2N1	26489937	WLMJZODRLCBIHT-UHFFFAOYSA-N	224.263	2.633	0	1	BFAF	
CCOC[C@@H](C)Oc1cccc2ccc(N)nc12	28387659	NPQHPGOWIVAOJW-SNVBAGLBSA-N	246.310	2.621	0	1	BFAF	in-vivo
COc1ccccc1-c1cc2[nH]ccnc-2n1	100830196	AJERRVITMXKDJH-UHFFFAOYSA-N	225.251	2.585	0	1	BFAF	
CC(=O)n1nc(C)c(-c2ccc(C)c(C)c2)c1N	1857649540	AIENNXYTHHWJIA-UHFFFAOYSA-N	243.310	2.718	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@]12CC=C(CO)[C@@H](O)C2	2356325085	MTFXKUDGSGWVIS-CYUUQNCZSA-N	238.371	2.748	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(C[C@@H]1O)C[C@H]1C[C@]12C	2356582632	QRDWGAFJTAQHKE-SYPGZIFDSA-N	238.371	2.581	0	1	BFAF	
CC[C@H](C)CC[C@@H]1CC(O)=C(C)C(=O)O1	2356603903	OSWJYTAYRCLDMA-WCBMZHEXSA-N	212.289	2.960	0	1	BFAF	
COc1ccc2c(c1[C@@H](C)O)C=CC(C)(C)O2	14451196	OXOGIMIQUUDLGO-SECBINFHSA-N	234.295	2.933	0	1	BFAF	biogenic
Cc1ccc2c(c1)CC[C@H]1[C@@H]2CCC(=O)N1C	40466821	XDOWUVXUVBBNIH-KGLIPLIRSA-N	229.323	2.646	0	1	BFAF	
CN1C[C@@H](c2ccc(Cl)c(Cl)c2)OC1=N	45168284	FIVVQLCWEXBXAM-VIFPVBQESA-N	245.109	2.931	0	1	BFAF	
CC(C)(Cl)c1nc2ccc(CO)cc2[nH]1	587008024	KOFAWQHXUBHOBE-UHFFFAOYSA-N	224.691	2.529	0	1	BFAF	
CC(C)(Cl)c1nc2cc3cn[nH]c3cc2[nH]1	587008323	NQRDYTUAXVBNPW-UHFFFAOYSA-N	234.690	2.913	0	1	BFAF	
CCOC(=O)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	1772597669	MOGRTXHBIPWFGN-KNZXXDILSA-N	208.301	2.622	0	1	BFAF	
CC[C]1NC(C)=CC(N)=C1OCc1ccccc1	2356827566	FSWABHJFEHYUJK-UHFFFAOYSA-N	243.330	2.822	0	1	BFAF	
CCN(CC)[C@@H]1CCc2c(cccc2OC)C1	13759793	YGHHMTVTTJJSQZ-CYBMUJFWSA-N	233.355	2.894	0	1	BFAF	
COc1ccc2[nH]cc(C3=CCCNC3)c2c1	26744357	WBJMGSVSSCEGFV-UHFFFAOYSA-N	228.295	2.553	0	1	BFAF	
CC(C)[C@H]1CC/C(=C\Br)OC1=O	29205544	HBUCVSCEKDOHRY-WVXIBAHESA-N	233.105	2.832	0	1	BFAF	
C[C@@H]1C[C@@H](O)CCCC/C=C\CCCC(=O)O1	33841426	PJUSYCAFQVDQIH-MUEWNTGYSA-N	240.343	2.970	0	1	BFAF	
COC(=O)[C@@H]1CCc2c1ssc2=S	53242984	CMDYQGNCNCPHGR-SCSAIBSYSA-N	232.351	2.742	0	1	BFAF	
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@@]1(C)[C@@H](O)C2)CO	169636551	FUCSWNUANQRDFQ-HMANRWDHSA-N	238.371	2.892	0	1	BFAF	
CC=CCCC(=O)c1cc(C)c(O)cc1O	2356671942	PZLKKLWFFFEJHP-UHFFFAOYSA-N	220.268	2.945	0	1	BFAF	
CCC=CC1=C2NC(=N)N[C@@H]3CC[C@H](C[C@@H]1C)[C@@H]23	2356757256	YSZQKSLEUOCOPD-XKAARJIMSA-N	245.370	2.769	0	1	BFAF	
ONC1=Nc2ccccc2[C@H]2CCC[C@@H]12	13817906	PONJDAVGZDCHRI-PSASIEDQSA-N	202.257	2.593	0	1	BFAF	
COc1ccc(C2=CC=[N+](C3CC3)CC2)cc1	27193168	OKOGDOCHRCGYDL-UHFFFAOYSA-N	228.315	2.728	0	1	BFAF	
CCc1c2[nH]c3ccccc3c2c(OC)c[n+]1C	29411629	WEWIOACJFYGMJD-UHFFFAOYSA-O	241.314	2.717	0	1	BFAF	
Cc1cccc2nc(C[C@H](C)CCC(=O)O)[nH]c12	587962225	BPMFUCHILRBACP-SECBINFHSA-N	246.310	2.915	0	1	BFAF	
CCCn1cncc1-c1cc(OC)ccc1O	653848305	NRFUJUWYZVXOGH-UHFFFAOYSA-N	232.283	2.674	0	1	BFAF	
CC(C)=C1C[C@@]2(C)[C@H]3CC[C@@]2(O)[C@@](C)(O)C[C@@H]13	2356348023	VZVWOGAKPLHXNY-YTFOTSKYSA-N	236.355	2.645	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1[C@H]3O	2356376475	SWPQNHOZMJNCGC-UVGOUCATSA-N	238.371	2.581	0	1	BFAF	
CCCCCC(=O)c1ccc(CO)cc1	2356428996	GGGCQMJCBODCQF-UHFFFAOYSA-N	206.285	2.942	0	1	BFAF	
Cc1cc(C)cc(CN2[CH]C=CC=C2N)c1	2356854828	AKRKJKHYRFJICO-UHFFFAOYSA-N	213.304	2.637	0	1	BFAF	
Nc1noc2cccc(-c3cccc(O)c3)c12	63298589	DJRPFIWIDKXORZ-UHFFFAOYSA-N	226.235	2.783	0	1	BFAF	
CC1=C2C(=CO[C@@H](C)[C@H]2C)C(O)=C(C(=O)O)C1	82047156	JOPGDNKFOCERPE-SFYZADRCSA-N	236.267	2.542	0	1	BFAF	
C[C@H]1C=C2N3CCC[C@@H]4[C@@H](O)C[C@H](C1)[C@]24CCC3	211246936	HOKAQRSZUDJBEU-AQRJEWBLSA-N	247.382	2.783	0	1	BFAF	
Cc1c(O)c(CCCC(C)C)coc1=O	1857768334	DDMORVFJFQWSQD-UHFFFAOYSA-N	210.273	2.633	0	1	BFAF	
CC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@H](O)CC[C@@]21C	2356721880	RCYZLITTYILPNL-ATDWNOGJSA-N	236.355	2.501	0	1	BFAF	
CCc1cc(=O)n(/C(C)=C/c2ccccc2)n1C	5849858	LTBMNAAVSZOFEK-ZRDIBKRKSA-N	242.322	2.767	0	1	BFAF	
O=C1[C@@H]2CC=CC=C[C@H]2N1Cc1ccccc1	28131279	UUCXLVWVLOWJOY-ZIAGYGMSSA-N	225.291	2.530	0	1	BFAF	
C[C@H]1CCC=C2CCC([C@](C)(O)CO)=C[C@@]21C	40379928	IHQKZXXEUOQSEW-NILFDRSVSA-N	236.355	2.813	0	1	BFAF	
O=C1C[C@H](CN2CCCCC2)Oc2ccccc21	40585159	IHFQHPJHQFQVLX-GFCCVEGCSA-N	245.322	2.506	0	1	BFAF	
O=C(Nc1ccccc1)c1cc2cccnc2[nH]1	66074703	DMWGTDYNTLDPJJ-UHFFFAOYSA-N	237.262	2.815	0	1	BFAF	
NC(=O)Cc1cc(F)ccc1-c1ccccc1F	118802339	RXHMRBZXCGQKTB-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
CC(C)=CCC[C@@H](C)[C@@]12CC[C@@](O)(CO)[C@@H]1C2	238768375	WEZSMISXBFOGRL-APIJFGDWSA-N	238.371	2.892	0	1	BFAF	
O=C1CCC[C@]2(C1)NCCc1cc(Cl)ccc12	963391022	ORRXKCZEAJLZJX-CQSZACIVSA-N	249.741	2.824	0	1	BFAF	
CC(C)C/C=C1\OC(=O)C2=CC=CC[C@H]21	13462906	XUAVGKDSFAWBLN-BKLZJWBFSA-N	204.269	2.976	0	1	BFAF	endogenous,in-man
Cc1cccc(N(O)[C@@H]2C=C[C@H](OC(C)C)C2)n1	73166917	MNCFEZXZVAAKLI-OLZOCXBDSA-N	248.326	2.708	0	1	BFAF	
FC(F)(F)c1cccc2c1[C@@H]1CNC[C@@H]2C1	101032425	YLTIOICAHCAKID-YUMQZZPRSA-N	227.229	2.880	0	1	BFAF	
CC1=CCC[C@]2(C)CC[C@](O)(C(C)C)[C@H](O)[C@@H]12	238758576	PRGGSRMRYZVZGC-TUVASFSCSA-N	238.371	2.891	0	1	BFAF	
Fc1ccc2nc(-c3cn[nH]c3)n(C3CC3)c2c1	1250441411	WXKWLZQQQRGZDD-UHFFFAOYSA-N	242.257	2.900	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@]3(CO)CC[C@]21C[C@@H]3O	2356615541	GDNYODZUJONCKY-GGUBGCTKSA-N	238.371	2.582	0	1	BFAF	
CNC(=O)CCc1cccc2ccc(OC)cc12	13781761	KMTWUHOZJCWVAW-UHFFFAOYSA-N	243.306	2.527	0	1	BFAF	
CC1=C2c3cc(C)c(O)cc3[C@@H](C)C[C@H]2OC1=O	14445084	CNHPRYNNWGQLLZ-WPPNPWJKSA-N	244.290	2.907	0	1	BFAF	biogenic
CCC(=O)NC[C@H]1CCCc2ccc(OC)cc21	26982115	IITITOBMRLGGSI-GFCCVEGCSA-N	247.338	2.641	0	1	BFAF	
CC[C@H](C)[C@@H](C[C@@H](C(=O)O)[C@@H](C)CC)C(=O)O	238740585	ANMSHEPZNSIGRK-UKKRHICBSA-N	244.331	2.870	0	1	BFAF	
O=C(OCCCCc1ccccc1)n1cccn1	299826532	HSMREXXLYRBNPF-UHFFFAOYSA-N	244.294	2.891	0	1	BFAF	
O=[S@](CCC(F)=C(F)F)c1nccs1	299855859	BSWXOXSBCUIOOV-CQSZACIVSA-N	241.259	2.718	0	1	BFAF	
CCCC/C=C\c1nc2cccc(C(N)=O)c2[nH]1	587965004	GCJGNEUKMPBUTO-UITAMQMPSA-N	243.310	2.865	0	1	BFAF	
Cc1cc2c(C)c(O)c3c(c2o1)[C@H](O)CCC3=O	2356826059	HVPSURWZNWORSR-SNVBAGLBSA-N	246.262	2.765	0	1	BFAF	
CCc1ccc2c(=O)oc(NC(C)C)nc2c1	27526248	BSNUQACSNXORAB-UHFFFAOYSA-N	232.283	2.571	0	1	BFAF	
CN1CCCCc2[nH]c3ccccc3c2CC1	28567035	KLXDUXXJNISNMK-UHFFFAOYSA-N	228.339	2.979	0	1	BFAF	
O=C1C(c2ccccc2)C(=O)[C@H]2CC=CC[C@H]12	28759863	KDSHBWMZFPXLDX-RYUDHWBXSA-N	226.275	2.504	0	1	BFAF	
O=c1ccc2ccc3c(c2o1)CCCC3	45261863	DJXPNKYDGLUVEI-UHFFFAOYSA-N	200.237	2.672	0	1	BFAF	
CC(=O)n1nc2cc1Oc1ccc(F)cc1-2	587873048	BHCVVKAOXNYHMY-UHFFFAOYSA-N	218.187	2.455	0	1	BFAF	
COC(=O)c1c[nH]c2ncc(-c3ccco3)cc12	1772581228	RBTBUWGGZRXIHJ-UHFFFAOYSA-N	242.234	2.610	0	1	BFAF	
CCC(C)(C)C(=O)N(C)[C@@H](CO)c1ccccc1	1772650801	FXNBMRDWJAXUSP-ZDUSSCGKSA-N	249.354	2.615	0	1	BFAF	
CCCCC[C@@H](O)C=CC(OCC)OCC	2356625424	MHUXURLVOJXADV-GFCCVEGCSA-N	230.348	2.883	0	1	BFAF	
O=c1cc(-c2ccccn2)[nH]c2cc(F)ccc12	5594568	RJACOAGSXQLRII-UHFFFAOYSA-N	240.237	2.729	0	1	BFAF	
C[C@H]1Oc2c(c(=O)n(C)c3ccccc23)C1(C)C	14617997	JSJSVEVELHLLJW-SECBINFHSA-N	243.306	2.597	0	1	BFAF	biogenic
CC1=C[C@H](O)[C@H](O)[C@]2(C)CC[C@@H](C(C)C)C=C12	15206289	UNJJBVJUBFDZLZ-UQOMUDLDSA-N	236.355	2.667	0	1	BFAF	biogenic
FC(F)(F)[C@@H]1C=CC=C([C@@H]2CCNC2)C1	26499424	GTXIQJYCGBFZND-NXEZZACHSA-N	217.234	2.661	0	1	BFAF	
NC1=N[C@@H](Cc2ccccc2)[C@@H](C(F)(F)F)C1	27199814	UQPONPWAJJACRG-UWVGGRQHSA-N	242.244	2.537	0	1	BFAF	
CCn1c(C)c2c(c1C)[C@@](C)(C(N)=O)CC2(C)C	39215392	YRLSTDRNUOJUKO-HNNXBMFYSA-N	248.370	2.549	0	1	BFAF	
COCc1cc(F)cc2c1CC[C@H]2c1ncc[nH]1	40936085	NGXJYXCPTRYKNN-GFCCVEGCSA-N	246.285	2.773	0	1	BFAF	
C=CC(=O)N1N=Cc2ccccc2[C@@H]1CCC	66101021	VNDLFLVGQDYAQO-ZDUSSCGKSA-N	228.295	2.890	0	1	BFAF	
O=C1CCCC[C@@H]1n1cc(-c2ccsc2)nn1	66258414	ANYIPKQKJBXIHJ-NSHDSACASA-N	247.323	2.691	0	1	BFAF	
CCCCO[C@H](CC)O[C@@H](C)CO[C@H](O)CC	95884266	RNFAKTRFMQEEQE-AVGNSLFASA-N	248.363	2.689	0	1	BFAF	
O=c1c2ccccc2[nH]n1CCc1ccccc1	138045731	HCKFBGZZOSOLAC-UHFFFAOYSA-N	238.290	2.572	0	1	BFAF	
COc1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1	586899886	VEULSFCPSHNQHM-AOOOYVTPSA-N	246.310	2.590	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1	586916845	HBJXOLBDVDOFON-OIBJUYFYSA-N	231.299	2.715	0	1	BFAF	
Cc1cc(F)c2[nH]c([C@@H](N)C(C)C)nc2c1	587258433	BZLIGDPGANLIQD-JTQLQIEISA-N	221.279	2.666	0	1	BFAF	
CCc1nc2nc(O)nc(O)c2cc1[C@@H](C)CC	587561106	LKRMOTFMMYMJLB-ZETCQYMHSA-N	247.298	2.512	0	1	BFAF	
CN1Cc2cc(O)ccc2N(C)[C@H]1c1ccoc1	653722838	ILXKIHSZEQKNED-AWEZNQCLSA-N	244.294	2.566	0	1	BFAF	
CC1=CC[C@H]([C@](C)(O)[C@H]2C[C@H]2C(C)(C)O)CC1	2356326275	VTGQZIHVIHQHGP-XFMPKHEZSA-N	238.371	2.891	0	1	BFAF	
CC[C@]1(C)N=C(C)C(=O)N1CCc1ccccc1	2356639321	MFICYADGWDYTDB-OAHLLOKOSA-N	244.338	2.658	0	1	BFAF	
CNC(=O)/C=C1\CCc2c(Cl)cc(F)cc21	19323	XEHUULQFAKOVQX-QPJJXVBHSA-N	239.677	2.555	0	1	BFAF	
CC1=CC[C@]2(C)C[C@@H](O)[C@](O)(C(C)C)[C@H]2CC1	5767215	WBVHJGBFCZGJRZ-YJNKXOJESA-N	238.371	2.891	0	1	BFAF	
CC(=O)c1nccc2c1[nH]c1c(O)cccc12	13306373	KMFKPYCUWKUIHH-UHFFFAOYSA-N	226.235	2.624	0	1	BFAF	biogenic
Cc1cc(C(C)C)cc(C)c1CC1=NCCN1	13779803	NTSMKZTVZAMTDB-UHFFFAOYSA-N	230.355	2.971	0	1	BFAF	
O=C1C(c2ccccc2)C(=O)[C@@H]2CC=CC[C@H]12	28759862	KDSHBWMZFPXLDX-FUNVUKJBSA-N	226.275	2.504	0	1	BFAF	
Cc1nc(C)c(-c2ccc3[nH]nc(N)c3c2)s1	40379886	BLSFBFJSSNCFOX-UHFFFAOYSA-N	244.323	2.885	0	1	BFAF	
CCCCC(=O)OCCc1ccc(O)cc1	103253914	PFGBJASSSCYMEK-UHFFFAOYSA-N	222.284	2.668	0	1	BFAF	
Fc1cc2nc(C3=COCC3)[nH]c2cc1F	586912091	DALZDNKOLRXDAN-UHFFFAOYSA-N	222.194	2.602	0	1	BFAF	
COc1cccc([C@@H](C)CCN2CCOCC2)c1	1772592844	ZSPKBCIUIKSACS-ZDUSSCGKSA-N	249.354	2.521	0	1	BFAF	
C[C@H](N)Cn1ccc2ccc3cccnc3c21	3963592	IXEONLGAFBTDDR-JTQLQIEISA-N	225.295	2.537	0	1	BFAF	
C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C	14952529	YGSVZRIZCHZUHB-LKTVYLICSA-N	231.339	2.546	0	1	BFAF	
O=C(/C=C1\CCc2cc(F)cc(F)c21)NC1CC1	27331536	GFUXATBEEYSBJM-RMKNXTFCSA-N	249.260	2.573	0	1	BFAF	
c1c[nH]c([C@@H]2NCCc3c2[nH]c2ccccc32)c1	29332830	LDAHIJXZDXUBBY-HNNXBMFYSA-N	237.306	2.731	0	1	BFAF	
CC1(C)CCN2C(=O)[C@]34CCC[C@@H]3C[C@@]21S4	31904805	YNWINBYEJRPYBT-ICCXJUOJSA-N	237.368	2.631	0	1	BFAF	
CCCCN(C(=O)CCC)c1nc(C)co1	39246368	GQFQMCIRFMGVGQ-UHFFFAOYSA-N	224.304	2.916	0	1	BFAF	
CC(C)[C@](C)(O)c1nc2cccc(F)c2[nH]1	586891148	SVHLOKNZSCMFIU-LBPRGKRZSA-N	222.263	2.566	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)-c1n[nH]cc1CC4)CC2	587213130	YJVIRXRCBOLDHS-UHFFFAOYSA-N	247.301	2.822	0	1	BFAF	
Cc1cc(C)c2[nH]ccc2c1CN1CCOCC1	1911573045	QEGSMGVSIDDFNR-UHFFFAOYSA-N	244.338	2.617	0	1	BFAF	
Oc1cccc(-n2ncnc2-c2ccccc2)c1	4030557	NEPIDAYQEWTBBU-UHFFFAOYSA-N	237.262	2.640	0	1	BFAF	
OCc1ccc2c(c1)C=C/C(=C\Cl)CO2	13386364	VKTZUNYCRLMMMT-UXBLZVDNSA-N	222.671	2.707	0	1	BFAF	
Cc1cccc2c3c([nH]c12)CC[C@@H](N(C)C)C3	39214015	VTKSFSHZTLGDDB-LLVKDONJSA-N	228.339	2.895	0	1	BFAF	
FC(F)O[C@](F)(Cl)C(F)(F)F	40915945	SBASELMSUQKBDN-REOHCLBHSA-N	202.481	2.650	0	1	BFAF	
Nc1nccc(-n2ccc3ccc(Cl)cc32)n1	95588652	WMDZRXZMGILJMX-UHFFFAOYSA-N	244.685	2.656	0	1	BFAF	
COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccccc1)O2	101845534	VEWNLDNSIXATRX-CRWXNKLISA-N	246.306	2.511	0	1	BFAF	
O[C@H](c1cccs1)c1cccnc1Cl	103259546	REKFSUXKEHKGTC-VIFPVBQESA-N	225.700	2.878	0	1	BFAF	
C/C(=C\c1cc(C2=CCCC2)co1)C(N)=O	653741135	CGKOGWBSJACPLS-RMKNXTFCSA-N	217.268	2.736	0	1	BFAF	
C=C(CO)C(=O)[C@@H]1CCC2=CCC[C@H](C)[C@@]21C	14445775	NEUJHRQRRDXWQD-WHOFXGATSA-N	234.339	2.877	0	1	BFAF	biogenic
Oc1ccc(/C=C/c2ccc(O)cc2O)cc1	34279194	IXJPPNJJWDTLQX-DAFODLJHSA-N	228.247	2.974	0	1	BFAF	
CCOC(=O)/C=C(\C)Nc1ccccc1F	37408021	XPCSLEXVCPDWRI-CMDGGOBGSA-N	223.247	2.705	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@@H](CO)[C@@](C)(O)CC[C@H]12	82047503	MLWFPIRGSGERCY-UXOAXIEHSA-N	240.387	2.972	0	1	BFAF	
CCCCCCOC(=S)OCCCN(C)C	473108020	LARLMNHPYQSOQN-UHFFFAOYSA-N	247.404	2.837	0	1	BFAF	
COC(=O)c1cccc2nc(C3=CCCC3)[nH]c12	586882992	DZXOPOOSEJBEPX-UHFFFAOYSA-N	242.278	2.917	0	1	BFAF	
N[C@H](N=O)c1c[nH]c2cc(Cl)ccc12	957601983	ZOCHMAVQGGHXAI-SECBINFHSA-N	209.636	2.545	0	1	BFAF	
C[C@@H](c1ccc(-c2ccccc2)o1)N(O)C(N)=O	10347	ANWBRNBFWNTBRG-VIFPVBQESA-N	246.266	2.778	0	1	BFAF	
COCCc1c(C)cc2c(c1C)C(=O)[C@H](C)C2	6070293	YGMHYALYIOLFQS-SNVBAGLBSA-N	232.323	2.867	0	1	BFAF	endogenous,in-man
CC1(C)C[C@@]23C(=O)CC[C@H](O)[C@]2(C)CC[C@H]13	13298577	UHRWOVVMQAASAO-XXSPCDMZSA-N	222.328	2.543	0	1	BFAF	
Nc1ncc(-c2ccccc2)c2ccncc12	13356577	UGLZUYWXOHMUSU-UHFFFAOYSA-N	221.263	2.879	0	1	BFAF	biogenic
c1ccc(-c2cccc(C3=NCCN3)c2)cc1	13806057	KMAYJLUKSOYPAE-UHFFFAOYSA-N	222.291	2.703	0	1	BFAF	
O=C1C2CCN(CC2)[C@@H]1CCCc1ccccc1	26385305	WEHHZQORDMUZDN-OAHLLOKOSA-N	243.350	2.673	0	1	BFAF	
CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1	29128677	OSJBPKOZISTQCO-DZGCQCFKSA-N	249.354	2.644	0	1	BFAF	
C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OC1(C)C	38321763	ZADVMZUKWWMSLQ-BQVODAHPSA-N	238.371	2.987	0	1	BFAF	biogenic,in-vitro
CC(C)[C@H]1CCC(=O)c2cc(O)c(C(=O)O)cc21	1857549506	RAEAZOBPRHFGFO-MRVPVSSYSA-N	248.278	2.807	0	1	BFAF	
Cc1ccccc1C(=O)[C@H]1CCCC[C@H]1O	1613655	YKTWQAXNOMZIKM-QWHCGFSZSA-N	218.296	2.729	0	1	BFAF	
Cc1ccccc1-c1nnc(NNC(C)C)s1	26379898	QJKFAPKMSVVTGX-UHFFFAOYSA-N	248.355	2.838	0	1	BFAF	
C/C(CO)=C1/CC[C@@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782055	VCKNBYBUMOAFMV-RXWDTYITSA-N	236.355	2.502	0	1	BFAF	endogenous,in-man
C/C=C/[C@@H]1CC(=O)c2cc(C)c(O)c(C)c2O1	198878929	XSNOKHWTJXMFKL-ORAHPGNNSA-N	232.279	2.919	0	1	BFAF	
CC1=C2C[C@H]3[C@]4(C)O[C@@H]4CC[C@]3(C)C[C@@H]2OC1=O	238773003	CGMHPBWARRRWSN-PRSHDEELSA-N	248.322	2.596	0	1	BFAF	
N[C@H](c1ccsc1)c1nc2ccc(F)cc2[nH]1	587026130	UXMCSINPMGITLF-LLVKDONJSA-N	247.298	2.812	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)C[C@]2(C)[C@H](O)[C@H]31	5762264	VWMGBHVRRNKOAE-ZLSAFIHNSA-N	238.371	2.581	0	1	BFAF	
COc1ccc2ccc3c(c2c1)CCC(=O)O3	13560936	UEOZJWFKTYYRGN-UHFFFAOYSA-N	228.247	2.700	0	1	BFAF	
CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12	13673559	QZFLFWOTDWFGFO-ONGXEEELSA-N	232.302	2.972	0	1	BFAF	
C[C@@H]1CCC=C2CC[C@@H]([C@@](C)(O)CO)C[C@]21C	15200781	UKZMUEWDUOSZAL-RZFFKMDDSA-N	238.371	2.892	0	1	BFAF	
CC[C@@H](N)Cc1cc(OC)c(Cl)cc1OC	29345172	DIVLTSLMCQXQCK-SECBINFHSA-N	243.734	2.637	0	1	BFAF	
Cc1ncc2cccc(CCCCCC(=O)O)n12	29412777	DBEWVBGJOIZFEP-UHFFFAOYSA-N	246.310	2.830	0	1	BFAF	
CC(=O)Nc1cc2c3ccccc3nc-2c[nH]1	100683032	KNEGSRWJPDRYEC-UHFFFAOYSA-N	225.251	2.626	0	1	BFAF	
O=CNc1ccc2c(c1)Cc1cccc(O)c1-2	198546539	ABGRNPNVDMFWMM-UHFFFAOYSA-N	225.247	2.532	0	1	BFAF	
Cc1cc2nc(-c3csc(O)n3)[nH]c2cc1F	587016970	GNEMQBIJIVGLGP-UHFFFAOYSA-N	249.270	2.840	0	1	BFAF	
COc1ccc2cc(C(=O)O)ccc2c1OC	1642265	RHWBIJFJDHSLFI-UHFFFAOYSA-N	232.235	2.555	0	1	BFAF	
CC(=O)c1cccc(OCCCc2c[nH]cn2)c1	13580357	ULRXPTKNXRGTQR-UHFFFAOYSA-N	244.294	2.624	0	1	BFAF	
CC(C)c1ccccc1O[C@H](C)C1=NCCN1	13805985	DAEHQHNTEAMXQC-LLVKDONJSA-N	232.327	2.579	0	1	BFAF	
CC1(C)CCC[C@]2(C)C3=C(CC(=O)[C@H]12)C(=O)OC3	14449299	UIFPOMHZPDKLLM-IUODEOHRSA-N	248.322	2.645	0	1	BFAF	biogenic
c1c[nH]c([C@H]2NCCc3c2[nH]c2ccccc32)c1	29332825	LDAHIJXZDXUBBY-OAHLLOKOSA-N	237.306	2.731	0	1	BFAF	
CN(C)[C@H]1CCc2[nH]c3c(F)cccc3c2C1	39214024	YDZUITAQDVNOEJ-VIFPVBQESA-N	232.302	2.726	0	1	BFAF	
COc1ccc(-c2cc3[nH]ccnc-3n2)cc1	100827063	RZTAPHIWJINCIT-UHFFFAOYSA-N	225.251	2.585	0	1	BFAF	
COC(=O)/C=C/c1cc2c3c(cccc3n1)CC2	587214203	NPRRSQPQVBFJRS-BQYQJAHWSA-N	239.274	2.520	0	1	BFAF	
CC(C)C1=C[C@H]2C[C@H]1[C@H]1CCC[C@H]2[C@@H]1O	2356330554	LMGUWOKULYXROK-AXMVNOCNSA-N	206.329	2.996	0	1	BFAF	
C[C@@]12CO[C@@H]3c4cocc4C[C@](C)(O)[C@H](C1)[C@H]3C2	2356635621	DWFADEFKWQSANI-IKSZGEOFSA-N	248.322	2.691	0	1	BFAF	
O=C1N[C@@H](Cc2ccccc2)[C@@H](c2ccco2)O1	13879125	XQUKXJGDANSSCC-AAEUAGOBSA-N	243.262	2.672	0	3	BFAF	
CN1CCC[C@H]2c3ccccc3CC[C@H]21	90504956	CAIZFPWDMVYDRN-UONOGXRCSA-N	201.313	2.811	0	3	BFAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC=C(CO)[C@@H]2C1	15208260	YINMQVXFJVAGNS-VNHYZAJKSA-N	238.371	2.892	0	1	BFAF	biogenic
C[C@H]1CCC[C@]2(C)CC=C([C@@](C)(O)CO)C[C@@H]12	15208794	RDBMSERFRDSITF-MHEUCROKSA-N	238.371	2.892	0	1	BFAF	
CCOC(=O)/C=C\n1ccc(-c2ccccc2)n1	45483946	ZRNVJPHRKFRCJJ-LUAWRHEFSA-N	242.278	2.584	0	1	BFAF	
NC(=O)[C@H](F)c1ccc(-c2ccccc2)c(F)c1	71329441	QFRPRCSMDFKNLO-CYBMUJFWSA-N	247.244	2.989	0	1	BFAF	
CCCCN1CC[C@H](c2cccc(O)c2)C1	213244520	JYIJFUATJBLBJG-ZDUSSCGKSA-N	219.328	2.982	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2C[C@@]2(C)CC[C@@]12O	238788102	SZKPCSUWTGDNTP-NMFUWQPSSA-N	236.355	2.646	0	1	BFAF	
CSCC(C)(C)c1nc2cc(F)cnc2[nH]1	586969394	RBHCGQXEBSDWGQ-UHFFFAOYSA-N	239.319	2.738	0	1	BFAF	
C[C@H](O)C=CC[C@H](C)[C@H]1C=C[C@](C)(O)CC1	2356868431	XBKAUOYYIOGLNF-XUXIUFHCSA-N	224.344	2.667	0	1	BFAF	
O=C1O[C@H]2CCC[C@@H]2[C@H]1Cc1ccccc1	26746720	JYGJKZKLNWLLRD-UPJWGTAASA-N	216.280	2.571	0	1	BFAF	
Cc1cccc(OC(=O)c2cccs2)n1	28636329	ANYGXCWURPQKSQ-UHFFFAOYSA-N	219.265	2.671	0	1	BFAF	
CC1(C)C[C@H](O)[C@]23CC[C@H](O)[C@](C)(CC[C@@H]12)C3	34602115	BWXJQHJHGMZLBT-JVSQWTDWSA-N	238.371	2.725	0	1	BFAF	
O=C1C=CC[C@@H](/C=C/c2ccc(F)cc2)O1	35328221	NDEKIBDLMYKCQU-LZGFCCKTSA-N	218.227	2.711	0	1	BFAF	
CC[C@]1(C)SC(N(C)c2ccccc2)=NC1=O	103168441	LQMITHOQHFLBNJ-ZDUSSCGKSA-N	248.351	2.921	0	1	BFAF	
COc1cccc2c1CC[C@@H]1[C@@H](c3cnc[nH]3)[C@H]21	137380820	ZJLGJEJGRRINJB-GLQYFDAESA-N	240.306	2.862	0	1	BFAF	
CC(C)(C)c1ccc2nc([C@@H]3CCOC3)[nH]c2n1	586911590	JCTLXNSDYWJRKG-SECBINFHSA-N	245.326	2.759	0	1	BFAF	
CC1(C)OC(=O)C[C@@H]1c1nc2ccc(F)cc2[nH]1	586912163	UXLAIAZLVFAWPI-MRVPVSSYSA-N	248.257	2.511	0	1	BFAF	
NO[C@@H](c1ccccc1)c1ccccc1F	1857547775	HBFIMALXBCDBDE-ZDUSSCGKSA-N	217.243	2.805	0	1	BFAF	
CC(=O)[C@H](C)C[C@@H](C)C=CC[C@@H](C)C(=O)O	2356701013	PRYKRPSKOZIRLZ-HBNTYKKESA-N	226.316	2.905	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]1C)O2	587405933	OFDKAFPSEBVQIW-XPTSAGLGSA-N	231.295	2.711	0	1	BFAF	
Cc1ccnc2c1CCN[C@@]21CCC(F)(F)C1	963073646	XFWWBKURNHCGPM-GFCCVEGCSA-N	238.281	2.550	0	1	BFAF	
C[C@@]12N[C@@H]([C@H](O)c3ccccc31)[C@@H]1CCCC[C@@H]12	25996197	QUUVVNAADCNVJY-PIVDIINCSA-N	243.350	2.727	0	1	BFAF	
CC1=C2[C@@H](CC(C)(C)[C@H]2O)[C@@H](C)CC[C@@H]1CO	38918837	XFJROLBQWOPDSD-TWJQMWNJSA-N	238.371	2.748	0	1	BFAF	
Oc1n[nH]c(O)c1Cc1ccc2ccccc2c1	100954420	KAFOOGXSXIAGMY-UHFFFAOYSA-N	240.262	2.565	0	1	BFAF	
CC1(C)C[C@H]2C[C@@]2(CO)[C@@H]2CC[C@@](C)(O)[C@H]2C1	238780321	COJSYKXSLPADGO-OEMOEHNSSA-N	238.371	2.582	0	1	BFAF	
N=c1cc2nc(CC3CCCCCC3)[nH]c2c[nH]1	587961279	QZLRQFXONRNPMB-UHFFFAOYSA-N	244.342	2.883	0	1	BFAF	
CC(C)C(=O)N1N=CC[C@H]1c1ccccc1	1857580395	GYEXJXFNDIJKJY-LBPRGKRZSA-N	216.284	2.602	0	1	BFAF	
O[C@H](Cc1ccccc1)c1cccc2[nH]ncc12	1857605181	NMBJPMWZRMOLSC-OAHLLOKOSA-N	238.290	2.839	0	1	BFAF	
Cc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)cc1	5687229	TZNNDMDHOGSNSI-NSHDSACASA-N	241.294	2.501	0	1	BFAF	
COc1cc(OC)c2c(c1C)O[C@H](C)C=C2	15119472	DPYKMCRUNZFSLD-MRVPVSSYSA-N	220.268	2.806	0	1	BFAF	biogenic
CN1CCC[C@H]2C[C@@H]1c1ccc(O)cc12	27523413	CZSRYFBAUSBQRZ-TVQRCGJNSA-N	203.285	2.646	0	1	BFAF	
CN(C)[C@H]1CCc2[nH]c3cc(F)ccc3c2C1	39214054	UZVCJIJGUZKKEU-JTQLQIEISA-N	232.302	2.726	0	1	BFAF	
COc1ccc(OC/C=C(C)/C=C/C(=O)O)cc1	66111827	TYFZJGRXXRDPKD-VSCQNNMLSA-N	248.278	2.661	0	1	BFAF	
Cc1nccc2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc12	587093971	WSFCBKYZVCSFJN-BQBZGAKWSA-N	241.216	2.932	0	1	BFAF	
NCc1ccc(-c2ccccc2CN)c(Cl)c1	1857756113	OJVQUMGLZOMCLC-UHFFFAOYSA-N	246.741	2.924	0	1	BFAF	
Nc1nccc(-c2c[nH]c3ccc(Cl)cc23)n1	95587523	QTOKCXOZFVIQTP-UHFFFAOYSA-N	244.685	2.861	0	1	BFAF	
CC[C@]12CCN(C)[C@@H](Cc3ccc(O)cc31)[C@H]2C	101159962	QGWPXULEDXWEKR-XFBWCDHKSA-N	245.366	2.936	0	1	BFAF	
Nc1ccc(-c2ccnc(-c3ccccn3)n2)cc1	101184856	DUPUZYWWZAHYMI-UHFFFAOYSA-N	248.289	2.788	0	1	BFAF	
CCC[C@@H](c1nc2cnncc2[nH]1)C(C)C	587956799	WPYMWZIXIWBZDM-SECBINFHSA-N	218.304	2.893	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CO[C@@]2(C)[C@H](CO)[C@@H]13	2356723346	FXZDQECHPKFMJT-DEPYFDJDSA-N	238.371	2.702	0	1	BFAF	
CC1=CC[C@]2(CC1)[C@H](C)[C@H](O)C[C@@H]2C(C)(C)O	2356789202	DAAXYWYGVVILBO-BHPKHCPMSA-N	238.371	2.891	0	1	BFAF	
Cc1cc2c(cc1C)NC(=C1C=CC=NC1=O)N2	100544122	LRQOBKCWCLICSH-UHFFFAOYSA-N	239.278	2.520	0	3	BFAF	
COc1ccccc1C1=CN2CCC1CC2	13755	UPDAFPDJKSGPME-UHFFFAOYSA-N	215.296	2.762	0	1	BFAF	
Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12	13652899	BIBLEFNXUYTZIB-UHFFFAOYSA-N	248.285	2.682	0	1	BFAF	in-vivo
COc1ccc2c(=O)c3c([nH]c2c1)CCCCC3	72109362	QXUXBOSZPNMVDU-UHFFFAOYSA-N	243.306	2.806	0	1	BFAF	
CC1(n2cnc3ccc(O)nc32)CCCCC1	118266797	YHGPPQFAGCJGIT-UHFFFAOYSA-N	231.299	2.816	0	1	BFAF	
Cc1ccccc1[C@H]1C[C@@H]1NC1CCC(N)CC1	149632951	VUUUJQSTZWEXHY-GMEATFMZSA-N	244.382	2.710	0	1	BFAF	
C[C@@H]1C(=O)CCc2c1nc1cccc3c1c2CC3	587214943	GIBXORFHQNHWSD-SECBINFHSA-N	237.302	2.952	0	1	BFAF	
Cc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2n1	587968255	XVCOBECQEDLGBR-HBNTYKKESA-N	225.295	2.946	0	1	BFAF	
CC(C)C1=CC[C@@H]2[C@H](O)CC[C@@](C)(O)[C@]2(C)C1	2356395263	NHVPAQUFIGPNEZ-KBUPBQIOSA-N	238.371	2.891	0	1	BFAF	
CC(=O)CCCC=CC[C@@H]1OC(=O)C[C@H]1C	2356486870	HOMZLLIQOYSYNB-PWSUYJOCSA-N	224.300	2.644	0	1	BFAF	
Cc1c2c(c(O)c3c(=O)occc13)CC(C)(C)C2	15217342	PKEYQFBXSBAZRB-UHFFFAOYSA-N	244.290	2.932	0	1	BFAF	biogenic
CC(C)CCc1c(O)ccc2c1OC(=O)CC2	29475998	VUMTXCSRVWFHTJ-UHFFFAOYSA-N	234.295	2.832	0	1	BFAF	
CCc1cc([C@H](O)C(F)(F)F)ccc1O	84687717	MRMLYIQWXJMGBR-VIFPVBQESA-N	220.190	2.550	0	1	BFAF	
COc1ccccc1[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CN	100822737	TWQYJZHCEIXHSD-UHXUCMFUSA-N	231.339	2.784	0	1	BFAF	
CO[C@]1(c2ccccc2)C=CC(C)(C)OC1	103215737	IUEZOZQMSXUREL-CQSZACIVSA-N	218.296	2.893	0	1	BFAF	
CCCCCC=CC[C@H](O)[C@H]1CCCC(=O)O1	2356375042	NQHBRMZRQSNJIZ-QWHCGFSZSA-N	240.343	2.970	0	1	BFAF	
Cc1c(O)cc(O)c2c1[C@@H](C)[C@@H](C)CC2=O	2356528118	QRGKYMHXCFTJJI-BQBZGAKWSA-N	220.268	2.732	0	1	BFAF	
Cc1cc2nnn([C@H]3CCCCO3)c2cc1C	1648762	LENMEYVGKIGSTM-CYBMUJFWSA-N	231.299	2.747	0	1	BFAF	
CC1(C)Oc2cc3c(cc2O1)OC(C)(C)O3	7992511	VBLVGORCSZWNOH-UHFFFAOYSA-N	222.240	2.701	0	1	BFAF	
C[C@H](O)CC[C@@H]1[C@@H](C)CC(=O)CC1(C)C	14487670	QIHMBTNCJUFMCE-JBLDHEPKSA-N	212.333	2.789	0	1	BFAF	endogenous,in-man
CCC/C=C/c1c(OC)cc(=O)oc1C	26639804	NWLPVOQNFYMYBW-VOTSOKGWSA-N	208.257	2.770	0	1	BFAF	
Clc1cc([C@H]2C[C@H]3CC[C@@H]2N3)cnc1Cl	27526067	LYYHSRQOEYGVSA-MRTMQBJTSA-N	243.137	2.996	0	1	BFAF	
Cc1cc(C)c2c(c1)C(=O)[C@@H](CN(C)C)CC2	299827947	QLRGOVLPLXDFQR-GFCCVEGCSA-N	231.339	2.610	0	1	BFAF	
Cc1ccc(N/C=C2/C=CC=N2)c(O)c1	100517909	FYTIKQCDESZIOP-NTMALXAHSA-N	200.241	2.595	0	3	BFAF	
CN[C@]12CCCC[C@H]1CC(=O)c1ccccc12	13831990	VBXDXDDQEIUQGX-XHDPSFHLSA-N	229.323	2.878	0	1	BFAF	
COCCNc1cc(-c2cccc(C)c2)ncn1	82161787	TVTXFPMUAKWYLH-UHFFFAOYSA-N	243.310	2.510	0	1	BFAF	
CC(=O)OCCCCCCOc1ccccn1	84689891	NIYDWLBAWFQGIE-UHFFFAOYSA-N	237.299	2.584	0	1	BFAF	
O=C(O)c1cc(F)cc2nc(C3=CCCC3)[nH]c12	586885077	UNIOAGRQGHLZAR-UHFFFAOYSA-N	246.241	2.968	0	1	BFAF	
Cc1c(F)ccc2nc(C[C@@H](C)N(C)C)[nH]c12	587192559	VNJBDOOKXVMHBG-MRVPVSSYSA-N	235.306	2.503	0	1	BFAF	
COc1ccc(Cl)c(F)c1[C@H]1C[C@H]1CN	653707674	COCHDBMHBGSPFV-BQBZGAKWSA-N	229.682	2.550	0	1	BFAF	
CC1(C)[C@]2(O)CC[C@]1(C)C1=CC[C@@](C)(O)[C@@H]1C2	2356511500	CACULIXBSFBBKT-NGFQHRJXSA-N	236.355	2.645	0	1	BFAF	
CCCC(=O)n1c(=O)oc2cc(Cl)ccc21	187252	NRAOTKVMIJRUNT-UHFFFAOYSA-N	239.658	2.688	0	1	BFAF	
CC(C)C[C@@]12C[C@@H]3CC[C@@H](CNC1=O)[C@]32C	5812843	CVXGDFQPURMPGD-AUZPSNTRSA-N	221.344	2.585	0	1	BFAF	
CCc1nc(Cc2ncc[nH]2)c(CC)s1	13802782	QBBPWGSYOAIJPQ-UHFFFAOYSA-N	221.329	2.582	0	1	BFAF	
CC1(C)C[C@@H]2C[C@]2(C)C2=CC(=O)O[C@@]3(C)O[C@@]23C1	14694987	HSCIYWCSFZTNLU-GBALPHGKSA-N	248.322	2.801	0	1	BFAF	biogenic
O=c1cc(-c2ccccc2)[nH]c2cc(O)ccc12	18205235	AHVIMHDOWFUQIV-UHFFFAOYSA-N	237.258	2.901	0	1	BFAF	
O=c1[nH]c2ccccc2cc1-c1cccnc1	26497993	ITGRRTQMOUOIMU-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
CCCN(CC)[C@H]1CCc2c(O)cccc2C1	39249744	YATHGSRZXANWKR-ZDUSSCGKSA-N	233.355	2.981	0	1	BFAF	
CCCC1=NN(C(=O)OC)[C@H](CCC)N=N1	40505415	CAAOILQTXJLQDG-SECBINFHSA-N	226.280	2.760	0	1	BFAF	
Cc1ccc(C)c(-n2[nH]c3ccccc3c2=O)c1	66157370	WBELOCIENAAVCE-UHFFFAOYSA-N	238.290	2.936	0	1	BFAF	
O[C@]1(C(F)(F)F)C[C@@H](c2ccccc2)N=N1	169697568	PBVXMRBQTWJHIB-IUCAKERBSA-N	230.189	2.835	0	1	BFAF	
CCOC(=O)[C@@H](C)[C@@H](O)c1ccccc1Cl	299828133	GXYPYZDAMQRICZ-GZMMTYOYSA-N	242.702	2.573	0	1	BFAF	
CN(C)c1ccc(-c2nc3ccccc3[nH]2)nc1	587195276	SRLVGVLJGSGBGV-UHFFFAOYSA-N	238.294	2.691	0	1	BFAF	
CCOC(=O)[C@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	1772597671	MOGRTXHBIPWFGN-OSUNSFLBSA-N	208.301	2.622	0	1	BFAF	
CO[C@@H]1C=C[C@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@]21O	2356365789	RVTBEMIQJSHHIE-GHAWAUCVSA-N	248.366	2.765	0	1	BFAF	
CC(=O)Nc1ccc(N/C=C2/C=CC=N2)cc1	104036118	ZTFSFOYYQSSMCR-LCYFTJDESA-N	227.267	2.539	0	3	BFAF	
O=C1[C@H]2CC=CC=C[C@@H]2N1Cc1ccccc1	28131275	UUCXLVWVLOWJOY-KBPBESRZSA-N	225.291	2.530	0	1	BFAF	
COc1ccc([C@H]2CCc3nc[nH]c3C2)cc1	40877058	XHDKEXKFBSPYHK-NSHDSACASA-N	228.295	2.691	0	1	BFAF	
O=C1CCC[C@H](n2cc(-c3ccccc3)nn2)C1	66262756	KYBUXZGCXHXDQY-LBPRGKRZSA-N	241.294	2.629	0	1	BFAF	
COc1ccc(/C=C/[C@@H]2CC=CC(=O)O2)cc1	84708904	OQUNGMASRRVTIG-RSPDNQDQSA-N	230.263	2.580	0	1	BFAF	
CC(C)[C@H]1CC[C@H]2O[C@]3(C)CC[C@H]2[C@@H]3[C@H]1O	95909887	VCHKQGGIARQOQS-UCKQBZRPSA-N	224.344	2.597	0	1	BFAF	biogenic,in-vitro
CC1(C)CCC[C@@]2(C)[C@@H]3[C@H](O)C[C@]2(C)[C@@H](O)[C@H]31	169303707	VWMGBHVRRNKOAE-BBEFNTSISA-N	238.371	2.581	0	1	BFAF	
Cc1sc([C@@H]2C=CNC=N2)c(C)c1C	218947771	KKYWVUFONPWHAU-JTQLQIEISA-N	206.314	2.860	0	1	BFAF	
C[C@H]1[C@@H]2C[C@H](C(C)(C)O)CC[C@@]2(C)CC[C@H]1O	238733293	XALRSJNOMCWQJW-ARUSPNSKSA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
C[C@@H]1O[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1	586916899	IGUWMJYSOBPWIE-AJAUBTJJSA-N	226.638	2.815	0	1	BFAF	
COC(=O)c1coc(/C=C/c2ccc(C)cc2)n1	1911576323	MGSCDCBGYIWPLM-BQYQJAHWSA-N	243.262	2.940	0	1	BFAF	
CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@H]21	13819983	FBOFPTJPVFSAHF-UKRRQHHQSA-N	245.366	2.981	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(N)CC=CC[C@H]1CC2	13831973	QBQJGSVGTBUOKQ-SWLSCSKDSA-N	229.323	2.762	0	1	BFAF	
C=C/C=C(\C)c1ccc(CC(=O)O)cc1	15206780	OFJLZYURODLWOQ-ONNFQVAWSA-N	202.253	2.903	0	1	BFAF	
COc1ccc2c(c1)C1(CCCCC1)NC(=O)N2	28370581	ULZVPGQHVZZDLF-UHFFFAOYSA-N	246.310	2.990	0	1	BFAF	
CONC(=S)Nc1ccc2ccccc2c1	29048521	YUNXEUCJXVLPGN-UHFFFAOYSA-N	232.308	2.688	0	1	BFAF	
CCN1CCC[C@H]2c3cc(O)cc(O)c3CC[C@H]21	29565909	SPRTWGPZKJDLPD-SMDDNHRTSA-N	247.338	2.612	0	1	BFAF	
CN1C[C@H]2C=C(c3cncc(F)c3)C[C@@H](C2)C1	101577010	ZMEGTXPZASMCHV-GHMZBOCLSA-N	232.302	2.576	0	1	BFAF	
C[C@@H]1C[C@]2(C)C[C@H](Cc3ccccc32)N1C	103023145	UUIHLUKORNVGJW-OSAQELSMSA-N	215.340	2.983	0	1	BFAF	
CCOCc1ccc(-c2nc3ccncc3[nH]2)o1	586904073	YYVFFIWEJUOZQN-UHFFFAOYSA-N	243.266	2.754	0	1	BFAF	
Cc1ccc(-c2cnc3ccccn3c2=O)cc1	1772619499	VAFDGYHUYFZTCR-UHFFFAOYSA-N	236.274	2.670	0	1	BFAF	
C[C@@H](CO)c1cc2c(cc1O)CCC[C@H]2C	2356563906	DKBQCOYMWZZNQT-ZJUUUORDSA-N	220.312	2.928	0	1	BFAF	
CC(=O)c1ccoc1C1=CN2CCC1CC2	13766600	FWVRMDGONFOSIW-UHFFFAOYSA-N	217.268	2.549	0	1	BFAF	
CC[C@H](C)c1ccccc1OCC1=NCCN1	13805973	CNNRRYTXQNWARY-NSHDSACASA-N	232.327	2.581	0	1	BFAF	
COc1cccc2c1CCC[C@@]21CCN(C)C1	27744953	ZEUWOUFMHOYFEH-HNNXBMFYSA-N	231.339	2.605	0	1	BFAF	
Cc1ccc2nc(-c3ccccc3)n(C)c2n1	28710082	LOHVLICCVXEOFD-UHFFFAOYSA-N	223.279	2.944	0	1	BFAF	
CC(C)(O)CC(=O)c1ccc2c(c1)C(C)(C)CO2	40639357	URTHLVFARYBGCM-UHFFFAOYSA-N	248.322	2.700	0	1	BFAF	
Cc1oc2nc(N3CCCC3)cc(N)c2c1C	43025347	ZYBAYKCGOXYDNJ-UHFFFAOYSA-N	231.299	2.627	0	1	BFAF	
CCCC/N=c1/c2ccccc2nc2n1CCC2	101060141	SLFCMGSCCAZINJ-NXVVXOECSA-N	241.338	2.683	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1[C@@H](c3cnc[nH]3)[C@H]21	101494964	SVYVZZUTGJVKNX-YUELXQCFSA-N	240.306	2.862	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)C)O2	587405518	LSTWXPKZHHAKBW-LBPRGKRZSA-N	219.284	2.567	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccoc1)O2	587413478	RCNIZHRAMGKXOM-CYBMUJFWSA-N	243.262	2.877	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(CCC2)CCN(C)C1	27733662	WAGQXNPXOFBRMT-HNNXBMFYSA-N	231.339	2.605	0	1	BFAF	
COc1ccc2c(c1)OC(C)(C)C(CC(=O)O)=C2	34519910	MHLOJQRDVOFWND-UHFFFAOYSA-N	248.278	2.724	0	1	BFAF	
O=C1Nc2ccccc2[C@@H]2c3ccccc3N[C@H]12	43060634	XXUMJZLUQLIDJC-KBPBESRZSA-N	236.274	2.565	0	1	BFAF	
CC(=O)CC[C@@H](C(C)C)[C@@H]1[C@H]2CCC(=O)[C@H]21	72113111	GDQRIBRXZMXMRL-UNJBNNCHSA-N	222.328	2.853	0	1	BFAF	
O=C(c1ccc(-c2ccccc2)o1)n1cccn1	200027242	YJALQFQLYBFNTB-UHFFFAOYSA-N	238.246	2.832	0	1	BFAF	
C[C@]12CC[C@@H]3CC(=O)CC[C@@H]3[C@H]1CC[C@H]2O	253633071	HHPUADWBUUWGBY-WJUUCBRBSA-N	222.328	2.543	0	1	BFAF	
CCC[C@@H](CC)OCN1C=CN(C)C1=CN=O	1857572807	UKWOTEFPMKWCEL-LLVKDONJSA-N	239.319	2.823	0	1	BFAF	
Cc1ccc(C2=C(O)C(=O)N3CCCC[C@H]23)cc1	1857651806	PZPZFMJWKKBLBS-GFCCVEGCSA-N	243.306	2.659	0	1	BFAF	
C[C@H]1Cc2c(ccc3ccccc23)OC1=O	13560917	SUHVASRTABOVSV-VIFPVBQESA-N	212.248	2.937	0	1	BFAF	
NC[C@@]1(CC(=O)O)CCC[C@H](c2ccccc2)C1	13779565	ZJAQPDQIWYAMGZ-ZFWWWQNUSA-N	247.338	2.764	0	1	BFAF	
CN1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)cn1)C2	27653467	MHYACAYHOKNGQE-NEPJUHHUSA-N	234.730	2.985	0	1	BFAF	
C1=C[C@H](CCNc2ncnc3[nH]cnc23)CCC1	40979256	QYEVCPHBAXJOAS-JTQLQIEISA-N	243.314	2.511	0	1	BFAF	
O=C1Nc2ccc(-c3cccnc3)cc2CO1	115278849	SCQIOSACWDQGRD-UHFFFAOYSA-N	226.235	2.811	0	1	BFAF	
Cc1c(C)c2c(c3c1[C@H](C)C[C@@H]3C)NC(=O)[C@@H]2O	2356800012	POZAGFVHYZXJIL-FHZAEYJHSA-N	245.322	2.900	0	1	BFAF	
CCC1=Nc2ncnn2[C@@H](c2ccccc2)C1	13122487	VBDBDELCVKIDBN-GFCCVEGCSA-N	226.283	2.754	0	1	BFAF	
Cc1ccc(C(C)C)c2c1[C@H](O)[C@@H](O)[C@H](C)C2	13381499	OEBHZESREHLVQJ-ONERCXAPSA-N	234.339	2.705	0	1	BFAF	biogenic
CN1C[C@]2(C)C[C@@]23c2cccc4[nH]cc(c24)C[C@H]13	13414901	ZWJHDICNUKHUGE-BPUTZDHNSA-N	238.334	2.686	0	1	BFAF	biogenic
CNc1c2c(nc3ccccc13)CCC[C@@H]2O	14946471	WETURUQUTKXZKR-LBPRGKRZSA-N	228.295	2.646	0	1	BFAF	
O=C1Nc2cc(F)ccc2/C1=C\c1ccc[nH]1	38147099	JFVLMRYDPQMRFA-YRNVUSSQSA-N	228.226	2.647	0	1	BFAF	
CN1[C@H]2CC[C@@H]1[C@H](c1ccc(F)cc1)C2	40492354	BXGWCQDCHRVLAK-RWMBFGLXSA-N	205.276	2.776	0	1	BFAF	
Oc1c(F)cc(F)cc1-c1nc2cccnc2[nH]1	587134943	XJVNWNHWAVDGIM-UHFFFAOYSA-N	247.204	2.609	0	1	BFAF	
C[C@@H](O)CCc1cnc2cccc3c2c1CC3	587216039	RAJAUQDJWOQNOU-SNVBAGLBSA-N	227.307	2.647	0	1	BFAF	
CC1=NN(c2ccc(-n3cccc3)cc2)C(=O)C1	653792897	CIZIBMODIMUBKX-UHFFFAOYSA-N	239.278	2.590	0	1	BFAF	
C[C@@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]1(O)C3	2356557291	IPUFFAVJUSCNSW-ZVJHWVFESA-N	238.371	2.725	0	1	BFAF	
CC1(C)[C@@H]2C[C@](C)(O)[C@H]3CCC[C@@](C)(O)[C@@H]3[C@@H]21	2356761348	AYOFBMBGDXCIQI-XGTBMDPHSA-N	238.371	2.581	0	1	BFAF	
Cc1ccc2c(c1)CCC(C[C@H]1CN=CN1)=C2	13862070	XDZBVZMDNGYWTG-HNNXBMFYSA-N	226.323	2.715	0	1	BFAF	
CN(C)[C@@H]1CCc2[nH]c3cccc(F)c3c2C1	39214073	NCVPNTOKICYHDX-SECBINFHSA-N	232.302	2.726	0	1	BFAF	
CC1=C[C@@H](c2ccccc2)Nc2nnc(C)n21	45319925	UOUVVDHARUXXKG-LBPRGKRZSA-N	226.283	2.614	0	1	BFAF	
C[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1	64548332	VDSXZDLUEYFJGH-MRCXROJRSA-N	210.280	2.952	0	1	BFAF	
Cc1ccc([C@]23C[C@@H]2CN(CC2CC2)C3)cc1	101781113	AAZHRZKYPZLHSR-HZPDHXFCSA-N	227.351	2.978	0	1	BFAF	
O=c1c2ccccc2cc2n1[C@H]1CCCC[C@@H]1N2	102013586	XXEFUOMEJQJRAP-STQMWFEESA-N	240.306	2.911	0	1	BFAF	
Cc1c2nc3ccc(O)cc3c-2ccn1C	377813298	ICPRLZDLIOARIN-UHFFFAOYSA-N	212.252	2.692	0	1	BFAF	
Cc1cc2nc([C@H]3CCOC3)[nH]c2cc1F	586913054	ZPORLFCJGAHXTB-QMMMGPOBSA-N	220.247	2.514	0	1	BFAF	
CCc1nc2cccc3c2c(c1CC(=O)O)CC3	587215408	MZJYUMKRFVNSOJ-UHFFFAOYSA-N	241.290	2.523	0	1	BFAF	
COc1ccccc1[C@@H](ON)c1ccccc1	1857535060	PNPDSKOEXKULSS-AWEZNQCLSA-N	229.279	2.675	0	1	BFAF	
CC1=CCCC2=C[C@@H](OC2=O)C(C)(C)C=C[C@@H]1O	2356319808	GZYWRLWUAXQGPX-QWHCGFSZSA-N	248.322	2.522	0	1	BFAF	
CC=C(C)Cc1cc(OC)cc2c1OCO2	2356605407	GDYHQWOKOBLPRI-UHFFFAOYSA-N	220.268	2.933	0	1	BFAF	
CO[C@@H]1C=C[C@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@]21O	2356616777	GPHREGVQROBXIU-ZAJFYCSQSA-N	248.366	2.765	0	1	BFAF	
c1ccc(-c2ccc(C3=NCCN3)cc2)cc1	13805928	HYHBHMOXROHYIC-UHFFFAOYSA-N	222.291	2.703	0	1	BFAF	
CN1CCC[C@H]1c1cncc([C@H]2CCCN2C)c1	15122121	CFMWWRWPGBAHFT-GASCZTMLSA-N	245.370	2.615	0	1	BFAF	biogenic
CN1CC[C@]2(c3ccc(O)cc3)CC[C@@H]1C2	100706809	GTUIXPUWWADVRZ-TZMCWYRMSA-N	217.312	2.518	0	1	BFAF	
Clc1cc(Nc2n[nH]c3cccnc23)ccn1	118719628	RSTWWWVVJRLAOE-UHFFFAOYSA-N	245.673	2.750	0	1	BFAF	
CC1=CC[C@@H]2[C@H]([C@H]1O)C(C)(C)CCC[C@@]2(C)O	140523422	NUXLUAXOQWMFEE-GUIRCDHDSA-N	238.371	2.891	0	1	BFAF	
Oc1ccccc1[C@H](O)/C=C/c1ccncc1	299855968	BJGSRXODPULPNJ-VBROQKIQSA-N	227.263	2.534	0	1	BFAF	
Cc1c(F)ccc2nc([C@](C)(O)C(C)C)[nH]c12	586891685	UXXKPWCCPJUMRK-CYBMUJFWSA-N	236.290	2.874	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cccnc2[nH]1	586914098	UJLXBTTWGIZZOC-ONGXEEELSA-N	231.299	2.631	0	1	BFAF	
CC[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	587954694	BCXXVORBQBRMJC-CPCISQLKSA-N	232.287	2.800	0	1	BFAF	
O=c1cc(-c2cccnc2)oc2cc(O)ccc12	653727890	GMCSNHYPIXRZNE-UHFFFAOYSA-N	239.230	2.561	0	1	BFAF	
Cc1ccnc2c1CCN[C@@]21C[C@H]2[C@@H](C1)C2(C)C	963069209	CWNHTTOTIBJODP-VIKVFOODSA-N	242.366	2.797	0	1	BFAF	
CC1(C)C=C[C@@H]2C(=O)Nc3ccccc3[C@H]2O1	2356672410	IMDNUXFWNXWHQT-CMPLNLGQSA-N	229.279	2.661	0	1	BFAF	
C[C@H](N)Cn1ccc2cc(Cl)c(F)cc21	13764832	CDRZAFWCPFTACB-ZETCQYMHSA-N	226.682	2.781	0	1	BFAF	
O=C(Cc1ccc2ccccc2c1)n1cccn1	299829089	PTSBCKNZSIEKMM-UHFFFAOYSA-N	236.274	2.919	0	1	BFAF	
Cc1cccc2c1/C(=C\c1ccc[nH]1)C(=O)N2	101116752	IUMPCHAHZBLTKY-DHZHZOJOSA-N	224.263	2.816	0	1	BFAF	
CC[C@@H](C)[n+]1cccc(-c2nc(C)ns2)c1	103193880	UEQWKTAALULLAU-SECBINFHSA-N	234.348	2.772	0	1	BFAF	
C[C@H]1C(=O)C[C@H]2[C@H]3[C@@H]1[C@@]2(C)CCC(=O)C3(C)C	104357485	PZYLIQGFDJFRCZ-AOJZFLCDSA-N	234.339	2.853	0	1	BFAF	in-man
C[C@@]12CCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N	137933801	YVNOYRSUGIWJKZ-TUKIKUTGSA-N	231.339	2.724	0	1	BFAF	
C[C@@]12N[C@@H]([C@H]3CCCC[C@H]31)[C@H](O)c1ccccc12	253853904	QUUVVNAADCNVJY-VNNIEUKBSA-N	243.350	2.727	0	1	BFAF	
C[C@H](O)[C@H](Oc1ccccc1O)c1ccccc1	2356284190	RNGCFDHRKNSIIK-NHYWBVRUSA-N	244.290	2.893	0	1	BFAF	
CC(C)[C@@H]1[C@H]2CO[C@H]1[C@@H]1N(C)C[C@@H]3CC[C@@H]2[C@@]31C	2356485152	VNAJNLDGWVFACK-DVYSLKTASA-N	249.398	2.634	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1CO	2356665202	XSJRCXSSXUHOHN-ZOWXZIJZSA-N	236.355	2.957	0	1	BFAF	
O[C@@H]1C[C@H](c2ccco2)NC2(CCCCC2)C1	335496	AIQYSLMWCIICFG-VXGBXAGGSA-N	235.327	2.768	0	3	BFAF	
C[C@@H](c1ccccc1)c1cc(C(N)=S)ccn1	1857770881	KPCHOWULPSDEIM-JTQLQIEISA-N	242.347	2.868	0	1	BFAF	
CC1=CCC[C@@H](C)C(=O)CC2=C(C)C(=O)N[C@H]2C1	2356374085	MZVOQYNJEAKDJD-MFKMUULPSA-N	247.338	2.527	0	1	BFAF	
CSc1c2c(C)nnc-2[nH]n1-c1ccccc1	6520661	DQKZLNUCFPIQTM-UHFFFAOYSA-N	244.323	2.731	0	1	BFAF	
Oc1ccc(-c2nc3cc(O)ccc3o2)c(O)c1	13583627	RGXSSCFRVTXICH-UHFFFAOYSA-N	243.218	2.612	0	1	BFAF	in-vivo
CC1(C)[C@@H]2CC[C@]3(C)C(=O)CCC(=O)[C@@H]3[C@@H]21	14615193	FKOKHQSDRFQWNI-LHNIVKCTSA-N	220.312	2.607	0	1	BFAF	biogenic
C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@H](C)[C@@H](O)C[C@@H]12	14962707	MDQZTPNTPVDOSH-HZZBMVKVSA-N	249.354	2.822	0	1	BFAF	biogenic
C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@](C)(O)CC[C@@H]12	27518323	DZKOJPWTBVWCGX-UQOMUDLDSA-N	249.354	2.966	0	1	BFAF	
c1ccc(CCCC[C@@H]2COCCO2)cc1	28476266	HSAGVSSSTFVCJT-CQSZACIVSA-N	220.312	2.815	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1C[C@@H](O)CC[C@@H]21	40677017	JBJOLGADJZFNKD-HZSPNIEDSA-N	246.374	2.575	0	1	BFAF	
C[C@]1(c2ccccc2)C[C@H]1NC1CCC(N)CC1	149628532	YCAWTMXHBSTPQD-QDIHITRGSA-N	244.382	2.576	0	1	BFAF	
c1cc2c3c(c(C[C@H]4CCOC4)cnc3c1)CC2	587215367	GTIYRTMAMACBEQ-LLVKDONJSA-N	239.318	2.912	0	1	BFAF	
CC(C)=CCCC(C)=CCNCCCN	1911575117	QQLYOKNVUBMTBS-UHFFFAOYSA-N	210.365	2.618	0	1	BFAF	
COc1cccc(C2=NO[C@@H]3CCCC[C@@H]23)c1	95577381	UKFPJKMZLPFJMZ-CHWSQXEVSA-N	231.295	2.988	0	1	BFAF	
CC12C[C@@H]3CC(C[C@H](C3)C1)[C@@]21CCCN1	217607721	WACQHRBCONRFMC-LFSIAQGGSA-N	205.345	2.955	0	1	BFAF	
COc1ccc2c(c1)[C@H]1[C@@H](CCCN1C(C)=O)C2	299829567	LOOWWSAZIWKCIJ-SWLSCSKDSA-N	245.322	2.551	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(N)c(N)cc2[nH]1	586893906	ZQZDLXKNWVFDRU-FUXBKTLASA-N	230.315	2.631	0	1	BFAF	
C[C@@H](F)[C@@H](N)c1nc2ccc(Cl)cc2[nH]1	587123297	INQWWIXZPVUJBU-MLUIRONXSA-N	227.670	2.574	0	1	BFAF	
CCOC(=O)C=Cn1ccnc1-c1ccccc1	1857624442	YFKXFOCASJBSEU-UHFFFAOYSA-N	242.278	2.584	0	1	BFAF	
Cc1[nH]nc2nc(O)cc(-c3ccccc3)c12	1911575727	LDYQYDPPCHEKQY-UHFFFAOYSA-N	225.251	2.639	0	1	BFAF	
CC1=C(N)N(Cc2cccc(F)c2)[CH]C=C1	2356816853	ATPRXYMQEQMEAN-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
C[C@H]1C[C@H](CN(C)C)C(=O)c2ccccc21	5752115	BMYUJTNCCMBFCL-WDEREUQCSA-N	217.312	2.554	0	1	BFAF	
CC1=CC[C@H]2[C@H](O)c3ccccc3C(=O)[C@@H]2C1	14723770	ZFJHEGLUSLQBNU-MGPQQGTHSA-N	228.291	2.889	0	1	BFAF	biogenic
CC1=C2[C@@H](O)C(C)(C)C[C@@H]2[C@@H](C)CC[C@@H]1CO	14769135	XFJROLBQWOPDSD-LEJCRSTHSA-N	238.371	2.748	0	1	BFAF	biogenic
COc1cccc([C@@H]2CCc3nc[nH]c3C2)c1	40875209	PKWGMVNCXHYOBP-LLVKDONJSA-N	228.295	2.691	0	1	BFAF	
CCOC(=O)c1cc(-c2ccsc2)cnc1N	45369313	SWWFGVJKDDSLHE-UHFFFAOYSA-N	248.307	2.569	0	1	BFAF	
Cc1ccccc1[C@@H]1C[C@H]1NC1CCC(N)CC1	149633154	VUUUJQSTZWEXHY-FPCDFSMTSA-N	244.382	2.710	0	1	BFAF	
CC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1c1cccs1)N2C	169328657	NRIJCNRWRNIFAB-BYNQJWBRSA-N	249.379	2.903	0	1	BFAF	
COc1ccc(-c2[nH]c(=N)nc(Cl)c2C)cc1	1857771300	FOJGPQZLJTZUIP-UHFFFAOYSA-N	249.701	2.527	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)OC[C@@H]2[C@H](C)[C@H](C)O1	2356322710	AAHWXJUQSQBIIS-QCLAVDOMSA-N	224.300	2.514	0	1	BFAF	
C[C@@]12C[C@H](CCO)[C@H]3[C@@H](CCC[C@@]3(C)O1)C2	2356506217	FNTKKNZFRXQLOL-ODXJTPSBSA-N	224.344	2.743	0	1	BFAF	
Cc1cccc(-c2cc(=O)c3cccnc3[nH]2)c1	5504118	IZFIIAGLKAXALT-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	in-vivo
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@H]3C(=C12)OC(=O)[C@H]3C	14619376	UJAUGIJBYGGHNV-FHTCGPRVSA-N	246.306	2.625	0	1	BFAF	biogenic
CC1=CCC[C@]2(C)CC[C@H]([C@@](C)(O)CO)C[C@@H]12	15208257	OHQSBUVAUCVABU-XQLPTFJDSA-N	238.371	2.892	0	1	BFAF	biogenic
CN1CCc2cccc3c2[C@@H](CCCC3)C1	27712795	ACCKGVZDPBYTSG-AWEZNQCLSA-N	215.340	2.985	0	1	BFAF	
c1ccc(Nc2[nH]ccc3ncnc2-3)cc1	100787414	UOUAEPDWLLEICP-UHFFFAOYSA-N	210.240	2.653	0	1	BFAF	
c1cc2c3c(cc(Cn4ccnc4)nc3c1)CC2	587211154	MGJWQPOUXFATFV-UHFFFAOYSA-N	235.290	2.578	0	1	BFAF	
CO[C@H]1CCc2nc3cccc4c3c(c2C1)CC4	587215056	ZSIAWEHJNWABPX-NSHDSACASA-N	239.318	2.837	0	1	BFAF	
Oc1cccc2nc(C=C3CCC3)[nH]c12	587964544	BUBOVSJGKXZACS-UHFFFAOYSA-N	200.241	2.836	0	1	BFAF	
CCCCC[C@H]1CC=C[C@@H](O)CCCC(=O)O1	2356629195	UYQOFPNMJKJWGM-OLZOCXBDSA-N	240.343	2.970	0	1	BFAF	
CSc1nncc(-c2ccc(F)c(F)c2)n1	197690	AZHGDHGEYCLYPN-UHFFFAOYSA-N	239.250	2.539	0	3	BFAF	
CC(=O)OCc1c(C)c2ccccc2n1C(C)=O	1616259	MXHQBJIKUDHIED-UHFFFAOYSA-N	245.278	2.673	0	1	BFAF	
Cc1ccccc1-c1cc(N(C)C)ncn1	4239236	HQXYGEXBNZQBIN-UHFFFAOYSA-N	213.284	2.518	0	1	BFAF	
O=C(O)CCc1ccc(Cc2cccnc2)cc1	36242127	KWEIRBHRWDIDAM-UHFFFAOYSA-N	241.290	2.690	0	1	BFAF	
COC(=O)/C=C/SC(=S)[C@H]1CCCC1=N	38198593	WMJRFIIGUVFVCH-JPNXRANUSA-N	243.353	2.554	0	1	BFAF	
CC1(C)OC(=O)C[C@]1(O)CCC1CCCCC1	39151167	DMCSVDAASXDRTF-CQSZACIVSA-N	240.343	2.804	0	1	BFAF	
CN(C)[C@@H]1CCc2[nH]c3cc(F)ccc3c2C1	39214053	UZVCJIJGUZKKEU-SNVBAGLBSA-N	232.302	2.726	0	1	BFAF	
COc1ccc(CCc2cc(C)[nH]n2)cc1OC	41297330	MWWPGIBZVIFJFE-UHFFFAOYSA-N	246.310	2.521	0	1	BFAF	
COc1ccccc1C1=NO[C@@H]2CCCC[C@H]12	95580610	JETSYCZGLULXST-WCQYABFASA-N	231.295	2.988	0	1	BFAF	
C/C=C(\C)[C@@H](O)C[Si](C)(C)c1ccccc1	195453460	ZYNXCXLVQLRELY-CLUXPMKYSA-N	234.415	2.929	0	1	BFAF	
Cc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1C	587191575	MKUNUOZJQAMECR-NSHDSACASA-N	231.343	2.672	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)O[C@H](C)[C@H](C)[C@@H]2CO1	2356324059	OYRLEHIYCBZMJA-QEYWKRMJSA-N	224.300	2.514	0	1	BFAF	
CCCCCC=C(C(=O)O)[C@H](C)C(=O)OCC	2356827980	IRATWIMJQPGIRD-JTQLQIEISA-N	242.315	2.777	0	1	BFAF	
CC1=C2C[C@]3(C)C(=CCC[C@H]3C)C[C@@]2(O)OC1=O	14450163	WJTUALPSQZTCPQ-TURNYIBQSA-N	248.322	2.705	0	1	BFAF	biogenic
CC1=CC[C@H](C)O[C@]2(C1)C(=O)Nc1ccccc12	66136600	LWPFZBGVRKZALW-NHYWBVRUSA-N	243.306	2.979	0	1	BFAF	
CN1c2ccccc2Sc2nccnc21	82044502	VKKWOZPYMWXVCP-UHFFFAOYSA-N	215.281	2.709	0	1	BFAF	
COc1ccc(Oc2ncnc3[nH]ccc23)cc1	169331351	XKHYHYAMFUFQGT-UHFFFAOYSA-N	241.250	2.759	0	1	BFAF	
CSCC(C)(C)c1nc2c(C)nccc2[nH]1	586969173	OJBBTORRMMUUMC-UHFFFAOYSA-N	235.356	2.907	0	1	BFAF	
Fc1cnc2[nH]c(-c3ncccc3Cl)nc2c1	587064483	BTWNMQZBIPHNJH-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
CCOc1cc(-c2ccc(N)c(F)c2)cnc1O	1857644947	ZFCCTKJPCAELJI-UHFFFAOYSA-N	248.257	2.574	0	1	BFAF	
CCO[C@@H]1CCCN(Cc2ccccc2)CO1	2356283895	GFCYDNAFMHZTGV-AWEZNQCLSA-N	235.327	2.619	0	1	BFAF	
CCC/N=c1\cc(C)oc(O)c1C(=O)CCC	2810923	UBSUYPCUKAGSDR-GXDHUFHOSA-N	237.299	2.587	0	1	BFAF	
CCN[C@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]5C[C@@H]([C@H]24)[C@]1(CC)[C@@H]35	27902822	JWACGMVTPOOTMF-YUSSEXNKSA-N	217.356	2.523	0	1	BFAF	
O=C1Nc2cc(Oc3ccccc3)ccc2C1=O	38875750	KJRFDFQYKHLWCA-UHFFFAOYSA-N	239.230	2.614	0	1	BFAF	
C[C@H]1CC[C@H]2[C@@H]3[C@H]1CC=C1C(=O)O[C@H]([C@@H]2C)[C@@H]13	96086153	BFNUVKSKPNBQRT-IGLSZRPSSA-N	232.323	2.786	0	1	BFAF	in-vitro
Oc1cccc([C@@]23CCCN[C@H](CC2)C3)c1	101755946	IXIRITGIJAZPRO-OCCSQVGLSA-N	217.312	2.566	0	1	BFAF	
Cc1ccc(-c2cc3cnccc3c(=O)[nH]2)cc1	146106202	FBNVJEHMMMVPBM-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
CN(C)CCC[C@@H]1C2=C(CC=CC2)CC[C@H]1O	169327473	DZOKOEWOLNWOPP-HUUCEWRRSA-N	235.371	2.746	0	1	BFAF	
COc1cc2c(cc1Cl)C[C@H]1CCCN[C@@H]21	299830141	NEDNGBQPORHEBS-AMIZOPFISA-N	237.730	2.945	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1	586886507	CHSCVGOESAYACP-KBUNVGBDSA-N	236.706	2.862	0	1	BFAF	
CC(C)(Cl)c1nc2cc3c(cc2[nH]1)OCO3	587007942	IZIWTAGAKLGNDZ-UHFFFAOYSA-N	238.674	2.766	0	1	BFAF	
CC1=C[C@@H]2OC[C@](C)(O)[C@@H]3CC[C@H](C)[C@@]23CC1	2356490606	OVRVTHVKQKPRTG-YYFQZIEXSA-N	236.355	2.909	0	1	BFAF	
CC1(C)CCN2C(=O)[C@@]34CCC[C@@H]3C[C@]21S4	5963610	YNWINBYEJRPYBT-OASPWFOLSA-N	237.368	2.631	0	1	BFAF	
COc1cc(O)cc2c1C1(CCC(=O)CC1)CC2	14558215	ZKJMXTKGSQHXEC-UHFFFAOYSA-N	246.306	2.728	0	1	BFAF	biogenic
CC[C@H](C)Nc1nc(N2CCCC2)ncc1C	82212698	FOMAGSKILYPAJW-NSHDSACASA-N	234.347	2.596	0	1	BFAF	
Fc1cc(Cl)cc2nc([C@@H]3CCOC3)[nH]c12	586911622	JMXIGYPVIQUDBQ-ZCFIWIBFSA-N	240.665	2.859	0	1	BFAF	
CCC[C@@H](c1nc2cc(=N)[nH]cc2[nH]1)C(C)C	587956738	VPTKGSCLQNVICA-SECBINFHSA-N	232.331	2.910	0	1	BFAF	
O=C1Nc2ccccc2C1=Cc1cccnc1	1857580080	ALVGMCFQOGIUFY-UHFFFAOYSA-N	222.247	2.574	0	1	BFAF	
C[C@@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](CC4)[C@@H]1O	2356649134	ANZDCOUFLQZNEJ-SJJUBHFPSA-N	249.398	2.658	0	1	BFAF	
COC(=O)/C=C/[C@H]1c2ccccc2[C@H](OC)[C@@H]1C	7992508	CMKYBWAWPBVWFW-SGZCKJQCSA-N	246.306	2.837	0	1	BFAF	
O=C(C[C@H](O)Cc1ccccc1)c1ccccc1	38255245	ACOOYQMOKLIVJM-OAHLLOKOSA-N	240.302	2.863	0	1	BFAF	
Clc1ccc(C2=C[C@H]3CC[C@H](C2)N3)cn1	100049795	XBTJJUGPWLAITG-GHMZBOCLSA-N	220.703	2.643	0	1	BFAF	
Clc1ccc(OCCc2c[nH]cn2)cc1	13758834	BWFKHVZUOOKZRC-UHFFFAOYSA-N	222.675	2.685	0	1	BFAF	
N[C@H](N=O)c1ccc(Oc2ccc(F)cc2)nc1	957654207	HBUSGDPRQXKGFK-GFCCVEGCSA-N	247.229	2.737	0	1	BFAF	
Cc1cc2c(cc1O)[C@@]1(C)C[C@@](O)(CC1(C)C)O2	2356326623	XOUGEILHFRFJQL-HUUCEWRRSA-N	248.322	2.859	0	1	BFAF	
C[C]1C=CN(CC(=O)c2ccccc2)C=C1	2356829050	DVPOPCPMABCWDX-UHFFFAOYSA-N	212.272	2.807	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1CCC[C@H](O)[C@H]21	26279809	JPZCKUFDKXCMRK-KCXAZCMYSA-N	246.374	2.575	0	1	BFAF	
OC12C[C@@H]3CC(C[C@@H](C3)C1)N2Cc1ccccc1	72105237	MJNYRQGREJARAA-PJPHBNEVSA-N	243.350	2.770	0	1	BFAF	
C/C=C(C)/C=C/c1oc(=O)cc(OC)c1C	238765212	FYADCZYVWPMYFR-CQCRHSALSA-N	220.268	2.936	0	1	BFAF	
c1ccc2cc(C3[N@@]4CCC[N@]34)ccc2c1	1857622291	OZXRPFRWXFYYMZ-HZPDHXFCSA-N	210.280	2.775	0	1	BFAF	
C[C@@H]1C(=O)CC=C2CC[C@@H](C(C)(C)O)C[C@H]21	2356477942	NBOAZLRJZITJPD-WCQGTBRESA-N	222.328	2.709	0	1	BFAF	
CCc1nc2ccc(C(F)(F)F)cc2[nH]c1=O	1650218	ACSPKHXQZGBQGL-UHFFFAOYSA-N	242.200	2.504	0	1	BFAF	
COc1cc2cc3ccoc3c(OC)c2oc1=O	13323018	XMAACIOVOFLIMM-UHFFFAOYSA-N	246.218	2.556	0	1	BFAF	biogenic
Cc1ccc2c(c1)O[C@]1(C)C[C@@]2(C)CC[C@@H]1O	14724909	PSMSHZCZVGLVMB-RRFJBIMHSA-N	232.323	2.949	0	1	BFAF	
Cc1cc2c(cc1O)[C@]1(C)CC[C@](O)(O2)C1(C)C	15151397	KANVQRLDTGOSBL-GJZGRUSLSA-N	248.322	2.859	0	1	BFAF	endogenous,in-man
CC(C)C1=CC[C@](C)(O)[C@H]2CC[C@@](C)(O)[C@@H]2C1	15265068	FNMDHMSGEIODFP-LJISPDSOSA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
CCOC[C@H](C)Oc1cccc2ccc(N)nc12	28387662	NPQHPGOWIVAOJW-JTQLQIEISA-N	246.310	2.621	0	1	BFAF	in-vivo
CN1C(=O)CC[C@@]2(C)c3ccc(F)cc3CC[C@H]12	40503788	RCEBVKVYLHBTNY-ZFWWWQNUSA-N	247.313	2.650	0	1	BFAF	
Cc1cccc(-c2nc(CN3CCC=N3)co2)c1	72181028	CPYOBOCKKPZMRZ-UHFFFAOYSA-N	241.294	2.842	0	1	BFAF	
CN(C)C(=O)Oc1ccccc1Br	84705044	PCIRCFFLIKPEBG-UHFFFAOYSA-N	244.088	2.510	0	1	BFAF	
COc1cc2ccoc2c2ccc(=O)oc12	136887479	KEENTAGJAUYRBY-UHFFFAOYSA-N	216.192	2.548	0	1	BFAF	
C[C@@H]1C[C@H]2C[C@H](O)[C@@H]3CCCN4CCC[C@H]2[C@]34C1	238736930	ICWQJNDZXVMLCK-YUDUXTHKSA-N	249.398	2.658	0	1	BFAF	
Cc1[nH]c2cc(F)ccc2c1CCN(C)C	587635817	TVOBMGHHWJCRAX-UHFFFAOYSA-N	220.291	2.720	0	1	BFAF	
Cc1[nH][nH]c(=N)c1-c1ccc2ccccc2c1	1857655320	OLSXZQGKTNNHGF-UHFFFAOYSA-N	223.279	2.951	0	1	BFAF	
Cc1sc(C)c2c1CCc1cn(C)nc1-2	13537813	OSKVIRUWUCHUMY-UHFFFAOYSA-N	218.325	2.864	0	1	BFAF	
CC1(C)C[C@H]2[C@@H]1[C@@H]1C[C@]1(C)[C@H](O)CC[C@@]2(C)O	86001539	USFOCJBPTUMHRF-UVGOUCATSA-N	238.371	2.581	0	1	BFAF	in-man
Cc1c(C(=O)O)n2c3c(cccc13)SCC2	299852065	MSSCQNJHTCSNHM-UHFFFAOYSA-N	233.292	2.754	0	1	BFAF	
C[C@H](O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1	586893893	XNSJPVPUKRZLHE-YFKPBYRVSA-N	245.109	2.793	0	1	BFAF	
Clc1cnc2[nH]c(C3CC4(COC4)C3)nc2c1	586916135	KRDHMNLFVZDXAR-UHFFFAOYSA-N	249.701	2.505	0	1	BFAF	
CC(=O)Cc1c(C)nc2cccc3c2c1CC3	587212507	BIPVEYHPWFOVCG-UHFFFAOYSA-N	225.291	2.773	0	1	BFAF	
CC(=O)CC[C@H]1[C@@H](C)CC(=O)CC1(C)C	2356485651	OMYHSWJSASVYAR-CABZTGNLSA-N	210.317	2.997	0	1	BFAF	
CC(=O)[C@H](C)C[C@H](C)C=CC[C@@H](C)C(=O)O	2356701012	PRYKRPSKOZIRLZ-GMTAPVOTSA-N	226.316	2.905	0	1	BFAF	
C[C@@H]1CCC[C@]2(CO)CC[C@@H](C(C)(C)O)C[C@H]12	2356753606	MEFMJWLQDLMIAS-RGCMKSIDSA-N	240.387	2.972	0	1	BFAF	
COc1cc(CCCC(C)C)oc(=O)c1C	2356789375	DFGGZDPMNKTMMH-UHFFFAOYSA-N	224.300	2.936	0	1	BFAF	
C[C@H](O)C[C@@H]1CCC[C@@H]2C[C@@H](C)C[C@H](C)N12	2356812267	BJAAYFAOLGNUCH-YHQUGGNUSA-N	225.376	2.799	0	1	BFAF	
CC[C@@H]1Cc2[nH]nc(O)c2[C@H](CC(C)C)O1	95566921	GFQSTOOWNWVUEZ-SCZZXKLOSA-N	224.304	2.554	0	3	BFAF	
CC(C)(C)NC1=NCCN=C(c2ccccc2)C1	4792038	CJDOBDKPAHNXGG-UHFFFAOYSA-N	243.354	2.666	0	1	BFAF	
CCCC[n+]1c(C)cc(N)c2ccccc21	6379937	OQSYZPCZWYGQLK-UHFFFAOYSA-O	215.320	2.818	0	1	BFAF	
C[C@@H]1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2C	13742433	UPIJLTVYDZRYJT-UGFHNGPFSA-N	215.340	2.841	0	1	BFAF	
Cc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2	14962770	SGKVGSSCLHVXJK-WQLSENKSSA-N	224.263	2.816	0	1	BFAF	
Oc1cc2c(cc1Cc1ccccc1)OCC2	25973910	ITYAIVIXGRVYIN-UHFFFAOYSA-N	226.275	2.918	0	1	BFAF	
O=C1CCCCCC(=O)C1c1ccccc1	28759665	LKUBHHGEHYGHBI-UHFFFAOYSA-N	216.280	2.873	0	1	BFAF	
CN[C@]12CCCC[C@@H]1C[C@@H](O)c1ccccc12	29570925	JJMXINCNBCMRDO-KCPJHIHWSA-N	231.339	2.729	0	1	BFAF	
O=C1C=CC[C@H](/C=C/c2ccc(F)cc2)O1	35328225	NDEKIBDLMYKCQU-UVMWJGKXSA-N	218.227	2.711	0	1	BFAF	
CC[C@H](N)[P@@](=O)(O)Oc1ccc(C)c(C)c1	49068933	WMYIGCBVWGIOST-LLVKDONJSA-N	243.243	2.562	0	1	BFAF	
COc1nnc(-c2cccc(C(F)(F)F)c2)o1	96935118	DHBBBLBSJRPBQC-UHFFFAOYSA-N	244.172	2.764	0	1	BFAF	
Clc1cc([C@H]2C[C@H]3CC[C@H]2N3)cnc1Cl	100048017	LYYHSRQOEYGVSA-NQMVMOMDSA-N	243.137	2.996	0	1	BFAF	
CC(C)C(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1C=CC[C@H]21	100051210	QNEXACLQEWOALO-FPYNETTCSA-N	220.312	2.786	0	1	BFAF	
C/C1=C\CC[C@](C)(O)[C@H]2C[C@@H]2C(C)(C)C[C@H]1O	473112235	BOAGSZAUIQYYAY-DQJXUAPQSA-N	238.371	2.891	0	1	BFAF	
Cc1cc(C)[n+](C)c2c(C)c(F)ccc12	1772574140	JSVSNGFMMAOIII-UHFFFAOYSA-N	204.268	2.729	0	1	BFAF	
CC1=CCC[C@]2(C)C[C@@]3(O)OC(=O)C(C)=C3C[C@H]12	2356414119	GLJUGKFIAGMAKM-KCPJHIHWSA-N	248.322	2.705	0	1	BFAF	
CC[C@@H](C)CC[C@H]1CC(O)=C(C)C(=O)O1	2356603902	OSWJYTAYRCLDMA-SCZZXKLOSA-N	212.289	2.960	0	1	BFAF	
Fc1cccc(Cl)c1[C@@H]1CC2=NCCN2C1	6091689	VDDKWLCHDOJXJM-MRVPVSSYSA-N	238.693	2.681	0	1	BFAF	
C[C@H]1CCC[C@]2(CCN(CCCN(C)C)C2)C1	26741667	LHSNIQNSBQTYIU-GJZGRUSLSA-N	238.419	2.840	0	1	BFAF	
Cc1ccc2c(c1)CC[C@H]1[C@H]2CCC(=O)N1C	40466823	XDOWUVXUVBBNIH-KBPBESRZSA-N	229.323	2.646	0	1	BFAF	
Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1	63539724	ACSYKUPGCXYRRO-UHFFFAOYSA-N	244.685	2.861	0	1	BFAF	
Cc1cccc(-c2ccc3c(c2)CCNC3=O)c1	166408224	VWRQKYYMULSAJC-UHFFFAOYSA-N	237.302	2.948	0	1	BFAF	
Cc1ccc(NC(=N)Nc2ccccc2)nc1	299853246	IFVMDPHFISTTMU-UHFFFAOYSA-N	226.283	2.849	0	1	BFAF	
CCCCCC=CC[C@@H](O)[C@H]1CCCC(=O)O1	2356375040	NQHBRMZRQSNJIZ-CHWSQXEVSA-N	240.343	2.970	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1C[C@@H](O)[C@@]1(C)CCC[C@@]2(O)C1	2356415220	DLQCYNDJQGMHRX-SIJPQNPESA-N	238.371	2.725	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2)CO	2356506557	FUCSWNUANQRDFQ-YJNKXOJESA-N	238.371	2.892	0	1	BFAF	
CC(=CC(=O)O)CCC=C(C)CCCO	2356552310	LNRHHLFPGMFPLP-UHFFFAOYSA-N	212.289	2.516	0	1	BFAF	
CC=C[C@@H]1C[C@H](C)[C@]2(C=C[C@@](C)(O)CC2)O1	2356867466	WRZUFIHOTBWJST-REWJHTLYSA-N	222.328	2.827	0	1	BFAF	
Cc1cc2c(CO)coc2c2c1CC[C@H](O)[C@@H]2C	13397780	KFNIOOQVUNXCSG-ZANVPECISA-N	246.306	2.644	0	1	BFAF	biogenic
COc1cc(CCN)c(OC)c2c1[C@@H]1CC[C@H]2C1	27212930	ASPWVWSIJQTXDB-ZJUUUORDSA-N	247.338	2.570	0	1	BFAF	
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCC(=O)O	59029641	UEAQWDUMMDCPBH-CJOPTALJSA-N	224.300	2.803	0	1	BFAF	
Fc1ccccc1Oc1ncnc2[nH]ccc12	169331353	DZJCBUJQQZOXJZ-UHFFFAOYSA-N	229.214	2.889	0	1	BFAF	
O=C1OCC(O)=C1c1ccc(Cl)c(Cl)c1	217081481	ZMKCVJDQEMPYNS-UHFFFAOYSA-N	245.061	2.819	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1[C@@H](CCCN1C)C2	299831759	REOUOAFXFYANBT-FZMZJTMJSA-N	217.312	2.634	0	1	BFAF	
CC1=C[C@](O)(C(C)C)C(=O)c2cc(C)c(O)cc21	13299526	KXIUPESKOQTYRQ-HNNXBMFYSA-N	246.306	2.687	0	1	BFAF	biogenic
C[C@@H](O)CCCCc1ccc2c(c1)OCO2	14610315	CRJTVKZRDOEDRM-SNVBAGLBSA-N	222.284	2.509	0	1	BFAF	biogenic
CCCCCc1ccc2nc(N)nc(N)c2c1C	29399353	JABYZYBLXMUBDH-UHFFFAOYSA-N	244.342	2.835	0	1	BFAF	
CCCCC[C@@H]1C[C@H]1COC(=O)[C@@H](O)CC	95572708	WEJJUODLRSHPCS-WOPDTQHZSA-N	228.332	2.517	0	1	BFAF	
Clc1ccc(C2=C[C@H]3CNC[C@@H](C2)C3)cn1	95577990	QCSSDCOJCQOKNU-VHSXEESVSA-N	234.730	2.748	0	1	BFAF	
C[C@@H]1O[C@@]23C[C@H]1CC[C@@]2(C)CCC[C@@H]3CO	2356371233	XPOUZYSXHNCNEA-RYMFRWLXSA-N	224.344	2.743	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@H](O)[C@@H]12	2356613318	HGRCRWYTMFSGFV-GEJOOGBSSA-N	240.387	2.971	0	1	BFAF	
COc1cc(O)c2c(c1)CCc1ccc(O)cc1-2	14651042	PLHFLFWGPBWZHL-UHFFFAOYSA-N	242.274	2.872	0	1	BFAF	biogenic
COC(=O)/C=C/C=C/C=C/c1ccccc1	14651878	HZRVHZNFPGTNHI-PMHXHJSWSA-N	214.264	2.985	0	1	BFAF	
COc1ccc2c(ccn2Nc2ccncc2)c1	27651818	OLLIUPXULGNHBZ-UHFFFAOYSA-N	239.278	2.920	0	1	BFAF	
CN1C[C@]23Cc4ccc(O)cc4[C@](C)(CC[C@H]12)C3	36221123	HUBOTCKKRXYMHW-ARFHVFGLSA-N	243.350	2.690	0	1	BFAF	
CC(C)c1ccc(C2[N@@]3CCC[N@]23)cc1	1857622148	CGTOAJWVPYVTAM-HUUCEWRRSA-N	202.301	2.745	0	1	BFAF	
COC1=CC(=O)O[C@H](C=CC2=CCCC=C2)C1	2356316480	OMNGEVNATYFZGG-GFCCVEGCSA-N	232.279	2.665	0	1	BFAF	
Cc1cc2oc(=O)c(C)c-2cc2c1CC[C@@]2(C)O	2356492785	DKXQZTBLMOOZTA-OAHLLOKOSA-N	244.290	2.515	0	1	BFAF	
CC(C)CC=C1OC(=O)C2=CC=CC[C@H]12	2356621344	XUAVGKDSFAWBLN-JTQLQIEISA-N	204.269	2.976	0	1	BFAF	
Cc1ccc(C(=O)CN2[CH]C=CC=C2)cc1	2356849050	CTIOTBIABBNKGL-UHFFFAOYSA-N	212.272	2.725	0	1	BFAF	
COc1ccc2[nH]c3c(c2c1)C=CN(C)C3	2356866925	VPJPMBMBSCMPQC-UHFFFAOYSA-N	214.268	2.593	0	1	BFAF	
C/C(O)=C1\C=C(c2ccccn2)c2cccc[n+]21	95920609	WOSGOHDUUBVSBO-UHFFFAOYSA-O	237.282	2.561	0	1	BFAF	in-vitro
CCN[C@H]1[C@H]2[C@H]3[C@@H]4C[C@H]2[C@H]2[C@@H]4C[C@H]3[C@]12CC	169358975	JWACGMVTPOOTMF-RIFISIHHSA-N	217.356	2.523	0	1	BFAF	
Fc1ccc([C@H]2CN3CCCC[C@H]3CO2)cc1	299847202	XZQRNKQLLRVHGP-UONOGXRCSA-N	235.302	2.752	0	1	BFAF	
COc1c(-c2ccnn2C)[nH]c2cccc(F)c12	587635537	JUAOJLCLHMFTBC-UHFFFAOYSA-N	245.257	2.716	0	1	BFAF	
CCCC/C=C\c1nc2ccc(C(N)=O)cc2[nH]1	587965817	PNJFGBZTOADGHB-WAYWQWQTSA-N	243.310	2.865	0	1	BFAF	
CC(C)=C[C@@H](O)C[C@@](C)(O)c1ccc(C)cc1	2356605598	LWSUCBOVPPLFKU-HUUCEWRRSA-N	234.339	2.920	0	1	BFAF	
CN1CCC=C2c3cccc4[nH]cc(c34)C[C@H]21	3652604	AHFZNJIKXMBLTJ-CQSZACIVSA-N	224.307	2.812	0	1	BFAF	
CN1CC2(CCCCC2)[C@@H](O)[C@]12C=CCCC2	5810805	BSGLKPBTNUWHAD-UKRRQHHQSA-N	235.371	2.722	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@H]1CC[C@]1(C)[C@@H](O)CC[C@H]21	29481456	WIKOGZYEVQUKEV-GFCMYALRSA-N	236.355	2.789	0	1	BFAF	
CC1(C)C[C@@H](O)[C@]23CC[C@H](O)[C@](C)(CC[C@@H]12)C3	39077063	BWXJQHJHGMZLBT-OBORUHMCSA-N	238.371	2.725	0	1	BFAF	
CC(C)C1=CC[C@]2(C)[C@H](C1)[C@@](C)(O)CC[C@H]2O	70455213	SOZSXJHFVBBAOY-YJNKXOJESA-N	238.371	2.891	0	1	BFAF	biogenic,in-vitro
CC(C)CC(=O)CN[C@H]1C[C@@H]1c1ccccc1	96172271	UEBNJOHMLVKZIM-CABCVRRESA-N	231.339	2.747	0	1	BFAF	
CC1=Nc2ccccc2N(C)n2cccc21	96908753	CLYOTVRBLBPVKL-UHFFFAOYSA-N	211.268	2.842	0	1	BFAF	
CN1[C@H]2C[C@H]3c4ccc(O)cc4[C@@](C)(C2)C[C@H]31	196077796	PYMHTPDXBUEPIW-GGZSPTBLSA-N	229.323	2.614	0	1	BFAF	
Cc1nc(C)c(Cc2nc3cnccc3[nH]2)s1	587010806	CRWICESZRDAEHX-UHFFFAOYSA-N	244.323	2.622	0	1	BFAF	
CC(=O)CCc1cnc2cccc3c2c1CC3	587212492	BERSTCKPJAVRML-UHFFFAOYSA-N	225.291	2.855	0	1	BFAF	
CC[C@H](C)CC[C@H]1CC(O)=C(C)C(=O)O1	2356603904	OSWJYTAYRCLDMA-WPRPVWTQSA-N	212.289	2.960	0	1	BFAF	
CC1(C)C=C(CN2CCCCC2)C(C)(C)N1O	27104706	OVJJOUFYECKJRU-UHFFFAOYSA-N	238.375	2.661	0	1	BFAF	
CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1	29128680	OSJBPKOZISTQCO-HIFRSBDPSA-N	249.354	2.644	0	1	BFAF	
c1ccc2c(c1)[nH]c1cc(C3=NCCN3)ccc12	29489335	HBFRTYZKBPAHOS-UHFFFAOYSA-N	235.290	2.671	0	1	BFAF	
CN(Cc1cnc[nH]1)c1ccc(Cl)cc1	96177479	YMMJIBJUSCNZIP-UHFFFAOYSA-N	221.691	2.700	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(CO)cc2[nH]1	586890824	PKDGNOQSWOSXLK-IINYFYTJSA-N	230.311	2.959	0	1	BFAF	
C/C(=C\c1ccccc1)[C@@H](O)C(C)(C)C(=O)O	1911571664	MRLQOAFAPRLGIF-BZYZDCJZSA-N	234.295	2.562	0	1	BFAF	
O=c1[nH]c(-c2ccccn2)cc2ccccc12	8855193	KUFFGEMBNFPXFG-UHFFFAOYSA-N	222.247	2.590	0	3	BFAF	
CN1CC=C(c2ccccc2CF)CC1	6437963	FNNPSASAVXIKPU-UHFFFAOYSA-N	205.276	2.875	0	1	BFAF	
CC(C)=C[C@H](O)[C@H](O)[C@H](C)c1ccc(C)cc1	14859907	CIGQSFSQDIHCFO-VHDGCEQUSA-N	234.339	2.787	0	1	BFAF	biogenic
Oc1n[nH]cc1Cc1ccc2ccccc2c1	27705659	LUSPQERUFXPFOZ-UHFFFAOYSA-N	224.263	2.859	0	1	BFAF	
CC(=O)N[C@H]1CCCc2c1c1ccccc1n2C	29330795	OWFHNPOVFVIYAY-LBPRGKRZSA-N	242.322	2.692	0	1	BFAF	
C/C(CO)=C1\C[C@@H]2CC(C)(C)C[C@H](O)C[C@@]12C	38525185	LXJRMEUBHWOKPH-NRODOGGISA-N	238.371	2.892	0	1	BFAF	
O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1	71295931	WOUDPYBESPZALS-UHFFFAOYSA-N	249.273	2.725	0	1	BFAF	
Oc1ccc2nc(Cl)n(-c3ccccc3)c2n1	118266084	WXQBZNIEZFIRGI-UHFFFAOYSA-N	245.669	2.780	0	1	BFAF	
O=C(O)/C(S)=C/c1c[nH]c2c(F)cccc12	169325411	PVCOGASVAVBZOY-WTKPLQERSA-N	237.255	2.662	0	1	BFAF	
CCCCC[C@@H]1C[C@@H]2CC[C@H]3C[C@H](C)N=C(N1)N32	2356467445	QUHWOQFRSXUNPM-CRWXNKLISA-N	249.402	2.910	0	1	BFAF	
COCC(=O)c1nccc2c1[nH]c1ccccc12	5997787	KGXNMZDNPKYEHN-UHFFFAOYSA-N	240.262	2.545	0	1	BFAF	biogenic
CN1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	13479024	HLNPMOXPJPCMLY-HBNTYKKESA-N	222.719	2.685	0	1	BFAF	
C=CC1=C(C)[C@]2(C)C[C@H](O)[C@H](C)[C@]2(C)[C@H](O)C1	14657509	PDROKIQEFJBKSQ-XKNKYKOPSA-N	236.355	2.667	0	1	BFAF	biogenic
CCCN1CCC=C2c3cc(O)ccc3OC[C@@H]21	27849123	GOAIESIEBXUUKO-AWEZNQCLSA-N	245.322	2.652	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@@H]12	238746539	HGRCRWYTMFSGFV-XLFUENPSSA-N	240.387	2.971	0	1	BFAF	
CC1=C[C@@H](c2ccccc2Cl)NC(=S)N1	473137272	XQWPNAAPMUQXIK-JTQLQIEISA-N	238.743	2.763	0	1	BFAF	
Cc1[nH]c2cccc(F)c2c1-n1cccn1	587634883	AQUWCNCLCUZBEO-UHFFFAOYSA-N	215.231	2.801	0	1	BFAF	
CN(C)Cc1cc2ccccc2c2c1COC2	4863233	FPGZPZNOGPTPIN-UHFFFAOYSA-N	227.307	2.932	0	3	BFAF	
C[C@H]1C[C@@H](C)O[C@@]2(C1)C(=O)Nc1ccccc12	36381945	PUASAJJEJHCSGU-IMSIIYSGSA-N	231.295	2.669	0	3	BFAF	
CC(C)C(=O)Nc1c2c(nc3c1CCC3)CCC2	198576	RPCMYFQXLVSFCR-UHFFFAOYSA-N	244.338	2.654	0	1	BFAF	
COCCCCCCCCC[C@@H](O)CC(=O)O	6482946	REZAAOCFOOVNID-GFCCVEGCSA-N	246.347	2.589	0	1	BFAF	
CN(C)CCCc1c[nH]c2ccc(F)cc12	13673546	UFBLPBWRPPLNJN-UHFFFAOYSA-N	220.291	2.801	0	1	BFAF	
CN(C)CCC[C@H]1C2=C(CC=CC2)CC[C@H]1O	169327475	DZOKOEWOLNWOPP-LSDHHAIUSA-N	235.371	2.746	0	1	BFAF	
C[C@@H](O)Cc1nc2cccc(C(C)(C)C)c2[nH]1	586889944	INHKLKISSINYBX-SECBINFHSA-N	232.327	2.784	0	1	BFAF	
Cc1ccc2nc(-c3c(N)cccc3O)[nH]c2c1	587250869	UDOOIIHCDHBCON-UHFFFAOYSA-N	239.278	2.826	0	1	BFAF	
O=C(C1CC1)n1nc2cc1Oc1ccc(F)cc1-2	587874959	KEBQMVXSWAANCE-UHFFFAOYSA-N	244.225	2.845	0	1	BFAF	
C[C@H](CCC(=O)O)Cc1nc2ccccc2[nH]1	587962574	GFMHJNVTHVTXBB-SECBINFHSA-N	232.283	2.606	0	1	BFAF	
Cc1cc(F)c2nc(/C=C/C=C\C(=O)O)[nH]c2c1	587967826	JUPUIJVAZDIISE-HZDAAVBUSA-N	246.241	2.664	0	1	BFAF	
O=C1CCCc2noc(Cc3ccccc3)c21	1857641922	VPGFSXHGFAKXRG-UHFFFAOYSA-N	227.263	2.784	0	1	BFAF	
CC1(C)C=C[C@@H]2C(=O)Nc3ccccc3[C@@H]2O1	2356672411	IMDNUXFWNXWHQT-JQWIXIFHSA-N	229.279	2.661	0	1	BFAF	
CN1CCC[C@H]1C[C@H](O)C=Cc1ccccc1	2356748783	RIYVUZHFPDAAIC-LSDHHAIUSA-N	231.339	2.545	0	1	BFAF	
CC(C)[C@@H]1C=C2C(CO)=CC[C@H](O)[C@]2(C)CC1	15206304	LDJXWXVSJIWCST-TUKIKUTGSA-N	236.355	2.668	0	1	BFAF	biogenic
C/C=C1\[C@@H]2C=C(C)C[C@H]1c1ccc(=O)[nH]c1C2	26578749	PTZJKZAGQUPZHZ-LMAQFPSJSA-N	227.307	2.927	0	1	BFAF	
Cc1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c2cc[nH]c2n1	27895292	LJOYPUGKYGHJAF-HOSYDEDBSA-N	242.326	2.867	0	1	BFAF	
CCCC[C@@H]1[C@H](O)CCC[C@]12CCCCN2	28005700	YJEQGBHTTODACM-MGPQQGTHSA-N	225.376	2.850	0	1	BFAF	
C=C=CCOc1ccc(/C=C/C(=O)OC)cc1	28705306	LUTXPQCBZWHPTG-JXMROGBWSA-N	230.263	2.593	0	1	BFAF	
C/C(=C/CC[C@]1(C)[C@H]2CC[C@](C)(C2)[C@H]1O)CO	70455032	HXGLSGRFISFKKO-UZYOSIISSA-N	238.371	2.892	0	1	BFAF	biogenic,in-vitro
COc1cccc(-c2cc3n(n2)CCCC3)c1	96911195	YKHWNHMQBJJLCJ-UHFFFAOYSA-N	228.295	2.895	0	1	BFAF	
Cc1cc(C)nc(-n2nc(C)c(Cl)c2C)n1	103196364	VVRCOZDGHIMQDK-UHFFFAOYSA-N	236.706	2.549	0	1	BFAF	
C[C@@H]1Cc2ccc(Br)c(O)c21	1857755560	DIGZOWJIJASHJI-RXMQYKEDSA-N	213.074	2.814	0	1	BFAF	
CC1=CCOc2ccc(cc2)C=CC(=O)OC1	2356517871	WPMGVJJSBNXOQS-UHFFFAOYSA-N	230.263	2.582	0	1	BFAF	
Cc1cc(=O)nc2n(C3CCCCC3)[nH]c(C)c1-2	103908064	PWTVFRSOJLFJPL-UHFFFAOYSA-N	245.326	2.798	0	3	BFAF	
Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cc1	4634320	ONGUNCXEJINACZ-WOPDTQHZSA-N	207.704	2.948	0	1	BFAF	
Cc1c2c(nc3ccccc13)-c1cccc(=O)n1C2	7991708	ZMTCYAIQIWKGIG-UHFFFAOYSA-N	248.285	2.734	0	1	BFAF	
COc1cc(-c2ccccn2)nc2cnsc12	13405952	IPFRVDBHTAUDIX-UHFFFAOYSA-N	243.291	2.762	0	1	BFAF	biogenic
CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@@H]21	13826553	DYVLYWKEJHHXOH-OCCSQVGLSA-N	231.339	2.591	0	1	BFAF	
O=C(O)c1cc(Cl)nc(Cl)c1Cl	95535283	RALYOHKUBVKWEU-UHFFFAOYSA-N	226.446	2.740	0	1	BFAF	
CCCC/C=C/c1nc2cncnc2[nH]1	587965329	JVXSTFJPCMSHJL-AATRIKPKSA-N	202.261	2.556	0	1	BFAF	
CC=CCCC(=O)c1cc(O)cc(OC)c1C=O	2356466674	PFDPEZDRLNTEHP-UHFFFAOYSA-N	248.278	2.752	0	1	BFAF	
CC(C)[C@H]1CCC(CO)=C2CCC(CO)=C[C@H]21	13381053	CZLSMUFSIVAINC-HIFRSBDPSA-N	236.355	2.670	0	1	BFAF	biogenic
Cc1sc(C)c2c1CN(C)Cc1c[nH]nc1-2	13537793	VGSLAIBIKATZCK-UHFFFAOYSA-N	233.340	2.700	0	1	BFAF	
COc1ccc(C(C)=O)cc1/C=C/C(C)(C)O	14455163	YODPVTWQOQASPC-BQYQJAHWSA-N	234.295	2.682	0	1	BFAF	
CC(C)[C@@H]1CCC2=C[C@H](O)C[C@@](C)(O)[C@@]2(C)C1	15200771	PBEKLXCZESBENG-UQOMUDLDSA-N	238.371	2.891	0	1	BFAF	biogenic
O=C1N[C@H]2CCCc3cc(Cl)ccc3[C@H]2O1	26649780	VALGYTXXSSNIHD-WDEREUQCSA-N	237.686	2.826	0	1	BFAF	
COc1ccc2c(c1)[C@]1(CCC2)CCN(C)C1	27733669	WAGQXNPXOFBRMT-OAHLLOKOSA-N	231.339	2.605	0	1	BFAF	
c1ccc(C[C@H]2CN3CCC2CC3)cc1	37623994	YWLRVKNQQQOFJH-AWEZNQCLSA-N	201.313	2.571	0	1	BFAF	
CC1(C)OC(=O)C[C@@]1(O)CCC1CCCCC1	39151166	DMCSVDAASXDRTF-AWEZNQCLSA-N	240.343	2.804	0	1	BFAF	
CN(C)CCCC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2O	253917217	JMTAZGPHOXWMLV-NLXSIGEOSA-N	237.387	2.515	0	1	BFAF	
Cc1cnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	587967333	NLDNFFHVAXBGNT-HBNTYKKESA-N	225.295	2.946	0	1	BFAF	
C[C@@H]1CCC[C@]2(CO)CC[C@H](C(C)(C)O)C[C@@H]12	2356753607	MEFMJWLQDLMIAS-UKTARXLSSA-N	240.387	2.972	0	1	BFAF	
Cc1sc(C)c2c1CCc1cnn(C)c1-2	13537767	MPRZCISVIKBQND-UHFFFAOYSA-N	218.325	2.864	0	1	BFAF	
CC1(C)c2cc(O)ccc2CC[C@@H]1NCC1CC1	13583899	KKWFCINPWIRORD-HNNXBMFYSA-N	245.366	2.984	0	1	BFAF	
O=C(O)[C@H]1C=CC(C(F)(F)C(F)(F)F)=CC1	26247824	MMTDSTIAVDZLSH-YFKPBYRVSA-N	242.143	2.771	0	1	BFAF	
NC1=C2CCCCC2=N[C@@H]2CCCC[C@H]12	28348524	TUHKKEQPFQTBQG-GXSJLCMTSA-N	204.317	2.787	0	1	BFAF	
CCCCC(=O)c1nc2ncccc2o1	29124753	FBFLUTUPSIYUIG-UHFFFAOYSA-N	204.229	2.596	0	1	BFAF	in-vivo
NCc1ccc(-c2ccc3c(N)nccc3c2)cc1	45168408	NLIZKEGRWXYJKI-UHFFFAOYSA-N	249.317	2.943	0	1	BFAF	
CO[C@H](c1ccc(Cl)c(Cl)c1)C1CNC1	95555889	QXCPNTPGHVWJSN-LLVKDONJSA-N	246.137	2.900	0	1	BFAF	
Clc1ccncc1C1=C[C@@H]2CNC[C@H](C1)C2	95579130	BHFQBHBXODOWRO-ZJUUUORDSA-N	234.730	2.748	0	1	BFAF	
OC1(c2nnc(-c3ccccc3)[nH]2)CCCCC1	103193197	HRWGUXHGYJWCOQ-UHFFFAOYSA-N	243.310	2.623	0	1	BFAF	
C[C@H]1C(=O)S[C@@](C)(CCc2ccccc2)C1=O	169719186	NDVCLVVVPXPPLD-YGRLFVJLSA-N	248.347	2.857	0	1	BFAF	
Cc1cncc(Cc2c[nH]c3ccccc23)n1	238788553	TXUIOGQWBZRYCG-UHFFFAOYSA-N	223.279	2.857	0	1	BFAF	
O[C@@H]1Cc2cc(F)ccc2N[C@H](c2ccoc2)C1	299830792	OVMIAXKCNFYLEN-OCCSQVGLSA-N	247.269	2.879	0	1	BFAF	
COc1ccc([C@H](C)CCN2CCOCC2)cc1	1772583678	CMWCFGCLJMVJAF-CYBMUJFWSA-N	249.354	2.521	0	1	BFAF	
CC1=C[C](N)N(Cc2cccc(C)c2)C=C1	2356826641	OJMOFDHOHMWDCY-UHFFFAOYSA-N	213.304	2.719	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1CC(=O)C[C@H]21	29480558	WRSPLSBXVYMANN-XPTSAGLGSA-N	216.280	2.704	0	1	BFAF	
c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]1c1c[nH]cn1	34116556	JRSOAPYTPOYVTE-XBFCOCLRSA-N	210.280	2.853	0	1	BFAF	
Oc1nn(Cc2ccccc2F)c2ccccc12	34434176	VVCKBJXUIZQZRP-UHFFFAOYSA-N	242.253	2.929	0	1	BFAF	
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@](C)(C2)[C@@H]1O)CO	70455035	HXGLSGRFISFKKO-PLEJJYTKSA-N	238.371	2.892	0	1	BFAF	biogenic,in-vitro
Clc1ccc2c(n1)CN1[C@@H]3CC[C@@H]1[C@@H]2C3	137400419	IMTFYHGMSYRWOU-BCMRRPTOSA-N	220.703	2.569	0	1	BFAF	
C/C=C(C)\C=C/c1cc(=O)c(C)c(OC)o1	211170750	UHDRCPRMNIQCES-LKDPLPNCSA-N	220.268	2.936	0	1	BFAF	
Cc1ccc2nc(COC(F)(F)F)[nH]c2c1	587124659	NUFKJWDVLFAWPM-UHFFFAOYSA-N	230.189	2.908	0	1	BFAF	
C(\Cn1ccnc1)=C1\CCCc2occc21	13808213	AHZCDINNUVENGR-NYYWCZLTSA-N	214.268	2.896	0	1	BFAF	
COc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2	14962817	NUKBQTLXNISBTR-GHXNOFRVSA-N	240.262	2.516	0	1	BFAF	
C[C@H](Oc1cccc2ccccc12)C1=NCCN1	27706794	NNWAFFLBVCCEGI-NSHDSACASA-N	240.306	2.609	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CC[C@@H]2CN3)cn1	28455845	VFQOGPACCHRZIN-IEBDPFPHSA-N	222.719	2.591	0	1	BFAF	
Clc1c2c(nc3ccccc13)C=CNN=C2	28713082	QJJNQGBTLCNYID-UHFFFAOYSA-N	229.670	2.796	0	1	BFAF	
Oc1ccc(/C=C\c2ccc(O)cc2O)cc1	90712886	IXJPPNJJWDTLQX-RJRFIUFISA-N	228.247	2.974	0	1	BFAF	biogenic,in-vitro
CC1=CC[C@H](O)[C@@]2(C)Cc3occ(C)c3C(=O)[C@H]12	2356495216	JYWURVVLRXXLFU-CORIIIEPSA-N	246.306	2.660	0	1	BFAF	
CC1=CCC[C@]2(C)CC[C@@H]([C@@](C)(O)CO)C[C@@H]12	15208250	OHQSBUVAUCVABU-BARDWOONSA-N	238.371	2.892	0	1	BFAF	
CO[C@H]1CCCc2nc3ccccc3c(N)c21	26670625	NPNGECAXOIIVOK-LBPRGKRZSA-N	228.295	2.841	0	1	BFAF	
CCCn1cc(C[C@H](C)N)c2cc(OC)ccc21	26674147	DAGLCFOMYRIMJJ-NSHDSACASA-N	246.354	2.950	0	1	BFAF	
C[C@]1(N2CCCCC2)c2ccccc2CC[C@H]1O	28767738	RKIZBVCWHHPLCS-CVEARBPZSA-N	245.366	2.695	0	1	BFAF	
CCCCn1nc2ccccc2c1OC	299838910	WKVCKNQZYLXMOY-UHFFFAOYSA-N	204.273	2.845	0	1	BFAF	
c1cnc2[nH]c(-c3occ4c3CCC4)nc2c1	586905533	SMEVRWIZDHORSU-UHFFFAOYSA-N	225.251	2.707	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(O)cc2[nH]1	586911111	KOHKWMBGBLCTPO-MFKMUULPSA-N	246.310	2.941	0	1	BFAF	
Cc1cc2c3c(coc3c1)[C@H](O)[C@@H](O)[C@H]2C(C)C	2356698746	MINGOCHWARMETQ-QEJZJMRPSA-N	246.306	2.889	0	1	BFAF	
CC(C)[C@@H]1CC[C@H]2O[C@@]3(C)CC[C@H]2[C@H]3[C@H]1O	2356760283	VCHKQGGIARQOQS-KTEZLCCFSA-N	224.344	2.597	0	1	BFAF	
C[C@@]1(CC2=Cc3ccccc3CC2)CN=CN1	13862142	XWOKQRYKGQBUQK-OAHLLOKOSA-N	226.323	2.797	0	1	BFAF	
C[C@H]1C[C@@H]2C[C@@H](O)[C@H]3CCCN4CCC[C@H]2[C@@]34C1	95884281	ICWQJNDZXVMLCK-JTAWPXLSSA-N	249.398	2.658	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2c(C)ccnc2[nH]1	586914800	YBOZUHPKBZOJQS-QWRGUYRKSA-N	245.326	2.939	0	1	BFAF	
N=C(S)n1nc2cc1Oc1ccc(F)cc1-2	587875814	JZLZRBAMTOOTPG-UHFFFAOYSA-N	235.243	2.508	0	1	BFAF	
C[C@]1([C@@H]2CCCN2)CCCCCCCC(=O)O1	2356442560	HXFUVYFNBRBBPM-GXTWGEPZSA-N	239.359	2.785	0	1	BFAF	
COc1ccc(C[C@H]2NC(O)=C(O)C2(C)C)cc1	2356871126	XXSMGIGAXQTTGY-LLVKDONJSA-N	249.310	2.521	0	1	BFAF	
Cn1c2ccccc2n2nc(-c3ccccc3)nc12	2488668	IOXOBHZSDOQUSR-UHFFFAOYSA-N	248.289	2.888	0	1	BFAF	
C[C@H]1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2C	26744050	UPIJLTVYDZRYJT-CQDKDKBSSA-N	215.340	2.841	0	1	BFAF	
CCSc1nc2ccc(C)cc2c(=O)o1	27546521	DPWXPOKLEZCKAW-UHFFFAOYSA-N	221.281	2.608	0	1	BFAF	
c1c[nH]c(-c2ccc3c(c2)[C@@H]2CNC[C@H]3C2)c1	28527659	IVLQQMFRRZESBS-NEPJUHHUSA-N	224.307	2.856	0	1	BFAF	
CC1=C[C@H]2[C@@H](CC1)[C@H](C)C[C@H](O)[C@@]2(O)C(C)C	40405755	ZGSRWTHKVMRAML-CAEXGNQWSA-N	238.371	2.747	0	1	BFAF	
Cc1n[nH]c2nccc(-c3ccccc3)c12	42921825	CVGAMQZGVHCPBU-UHFFFAOYSA-N	209.252	2.933	0	1	BFAF	
CC(C)N1CCCN=C1c1ccccc1	205805123	PWPXHDCZURNVRJ-UHFFFAOYSA-N	202.301	2.547	0	1	BFAF	
COC(=O)c1coc(/C=C/c2ccc(F)cc2)n1	1911574667	ODWUVFDMYFJGDQ-QPJJXVBHSA-N	247.225	2.771	0	1	BFAF	
C=C=CCOc1ccc(C=CC(=O)O)cc1	2356423786	KQIPPZMDZCTQNT-UHFFFAOYSA-N	216.236	2.504	0	1	BFAF	
CCc1ccc(C2=C(O)C=C[CH]N2)cc1O	2356816039	VNHAODOTLRHSGC-UHFFFAOYSA-N	216.260	2.502	0	1	BFAF	
Cc1cc(=O)oc2c1ccc1occ(NO)c12	4978200	FBZGHGYGTPNWAX-UHFFFAOYSA-N	231.207	2.649	0	1	BFAF	
COc1cc(Cc2ccccc2)ccc1CCN	13864182	GZYAWROTEPNHRQ-UHFFFAOYSA-N	241.334	2.787	0	1	BFAF	
CCN1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1	19634642	BJJBVQAWVRUBKV-GJZGRUSLSA-N	248.414	2.616	0	1	BFAF	
C/C=C1\[C@@H]2CC(C)=C[C@H]1Cc1[nH]c(=O)ccc12	26579936	PTZJKZAGQUPZHZ-XLOOGSEBSA-N	227.307	2.927	0	1	BFAF	
Cc1cc2ccc(Cl)cc2c2c1C(=O)NC2=O	45245512	WMSMUOWPYIMNGP-UHFFFAOYSA-N	245.665	2.685	0	1	BFAF	
Cc1cccc(-c2nc(Cn3ccnc3)co2)c1	72183686	VHGKVSHMMZHCIC-UHFFFAOYSA-N	239.278	2.895	0	1	BFAF	
NC(=O)c1ccc(Oc2ccccc2F)cc1	141861030	PFSGBISBXBLFEY-UHFFFAOYSA-N	231.226	2.717	0	1	BFAF	
C=C1C(c2cccs2)=[N+](O)C2=C(CCC2)N1O	169686861	MKNWLWHAYFZDHJ-UHFFFAOYSA-N	249.315	2.553	0	1	BFAF	
C[C@H]1C(=O)C[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCC(=O)C3(C)C	238745260	PZYLIQGFDJFRCZ-AHORFVQGSA-N	234.339	2.853	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2c(C)nccc2[nH]1	586909388	DWPQHCPIJOOJIN-PWSUYJOCSA-N	245.326	2.939	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)[C@H]1OCC[C@@H]41)CC2	587215133	BSFYIXNZZFRKEQ-BONVTDFDSA-N	223.275	2.892	0	1	BFAF	
c1cc2c3c(cc(CC4COC4)nc3c1)CC2	587216203	WFGCWXDLQFJNOD-UHFFFAOYSA-N	225.291	2.522	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)c3cnccc3[C@@](C)(O)[C@H]2C1	2356636297	CCLDZVYWGHUMES-ONENECBXSA-N	245.322	2.538	0	1	BFAF	
O=C(OCc1ccco1)c1cccnc1Cl	3258489	OKRBHAZATSNQRL-UHFFFAOYSA-N	237.642	2.685	0	3	BFAF	
CSc1ccc2[nH]cc(CCN(C)C)c2c1	2037415	YOGJZQGRTVMCPY-UHFFFAOYSA-N	234.368	2.994	0	1	BFAF	
C/C=C(\NC(=O)C[C@H](C)CC(C)(C)C)C(=O)O	26025681	YWFULJGZDXBCCV-LKJZUNMESA-N	241.331	2.553	0	1	BFAF	
Cc1cc2c(cc1O)[C@H](C)[C@@H](O)C=CC(C)(C)O2	34458686	BMFLYLUFZRFANY-JQWIXIFHSA-N	248.322	2.892	0	1	BFAF	
CCOC(=O)/C=C\n1cnc(-c2ccccc2)c1	40892796	BEKFBSWUSPGORQ-HJWRWDBZSA-N	242.278	2.584	0	1	BFAF	
COCc1cc(F)cc2c1CC[C@@H]2c1ncc[nH]1	40936084	NGXJYXCPTRYKNN-LBPRGKRZSA-N	246.285	2.773	0	1	BFAF	
C[C@H](c1ccccn1)c1ccc(O)cc1O	147038052	CYRWJYDRTMCKNV-VIFPVBQESA-N	215.252	2.645	0	1	BFAF	
Cc1cc2oc(=O)c(C)c-2cc2c1CC[C@]2(C)O	205396777	DKXQZTBLMOOZTA-HNNXBMFYSA-N	244.290	2.515	0	1	BFAF	
c1cnnc(-c2cc3c4c(cccc4n2)CC3)c1	587212765	UVZXYSZRHBESOF-UHFFFAOYSA-N	233.274	2.790	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@@]3(C)CCC(C(=O)O)=C3[C@H]2C1	2356387616	APVSRGRSDSBWMN-YHAQOWFVSA-N	248.322	2.803	0	1	BFAF	
CCC(C)(C)Nc1nc2ccccc2c(=O)o1	27526596	FLCRWLABOUVABE-UHFFFAOYSA-N	232.283	2.789	0	1	BFAF	
COc1cccc(CCN2CCC[C@H]2C)c1	29130797	INKHQVYBVMGBHD-GFCCVEGCSA-N	219.328	2.722	0	1	BFAF	in-vivo
CN(C)c1ncnc2sc3ccccc3c12	49853518	RXDTWWFMTICMIM-UHFFFAOYSA-N	229.308	2.911	0	1	BFAF	
CC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2CC[C@H]1N2C	166424007	IXBQQRJVGUUKAO-QKPAOTATSA-N	243.350	2.842	0	1	BFAF	
COc1ccc2[nH]c3c(N(C)C)nccc3c2c1	198647277	UAKIYQUANGYLJT-UHFFFAOYSA-N	241.294	2.791	0	1	BFAF	
CCCC(=O)c1c(O)c(C)c(O)c(C)c1OC	238749361	VZFPFEZQTVOUFR-UHFFFAOYSA-N	238.283	2.706	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2ccc(C)nc2[nH]1	586913761	SGSVZYGJNHAIQZ-ZYHUDNBSSA-N	245.326	2.939	0	1	BFAF	
N[C@@H](N=O)c1cccc(Cl)c1Cl	957592848	YGDRGPCIVGNPEJ-ZETCQYMHSA-N	205.044	2.717	0	1	BFAF	
Cn1cc(-c2ccncc2)c2ccncc21	1250472888	TWAVZLGPPFVXAY-UHFFFAOYSA-N	209.252	2.635	0	1	BFAF	
Cc1sc(C)c2c1CCc1c[nH]nc1-2	12355889	YCFLEYLRCILPQC-UHFFFAOYSA-N	204.298	2.854	0	1	BFAF	
CC(C)(O)c1cc2cc3ccc(=O)oc3cc2o1	13372800	QITAPBJXOHCHQR-UHFFFAOYSA-N	244.246	2.767	0	1	BFAF	biogenic,in-vitro
CC(=N)Nc1ccc(-c2csc(N)n2)cc1	26726632	JVLVVMCRAZSANQ-UHFFFAOYSA-N	232.312	2.801	0	1	BFAF	
NC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2	27983272	HIPBPSOEYVKDLN-UHFFFAOYSA-N	240.262	2.532	0	1	BFAF	
[O-][n+]1onc2cc(/C=C/c3cccs3)ccc21	28648454	HOQNWFMZYTUIDP-HWKANZROSA-N	244.275	2.693	0	1	BFAF	
CCc1nccc2c1[nH]c1c(O)cccc12	43018403	LGVSGRDLHZFZEU-UHFFFAOYSA-N	212.252	2.984	0	1	BFAF	
C[C@H]1OC(=O)c2[nH]cc3nc4ccccc4c-3c21	100728933	LWJDRJWRUYBPPK-SSDOTTSWSA-N	238.246	2.899	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@H](CO)CC[C@@]13O	238747417	RTSORXBIZDRAMP-CUZKYEQNSA-N	238.371	2.582	0	1	BFAF	
C[C@H](O)c1ncc(-c2nc3ccccc3[nH]2)s1	587022737	WLIWMLQEVMNRDW-ZETCQYMHSA-N	245.307	2.740	0	1	BFAF	
CC(=O)c1nc2cccc3c2c(c1C)CC3	587212498	BHUYTBOLNGMPCE-UHFFFAOYSA-N	211.264	2.844	0	1	BFAF	
Cc1cc2[nH]c(CCOCC3CC3)nc2c(C)n1	587783410	QWJHKTJXIOJKKN-UHFFFAOYSA-N	245.326	2.544	0	1	BFAF	
CC1=NN(c2ccc3ccccc3c2)C(=O)C1	653782584	MPXVJKOGBNDSLG-UHFFFAOYSA-N	224.263	2.952	0	1	BFAF	
CN[C@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@@H]1C2	1857542762	JBQVUHZBUWPGOC-GAQJKIJGSA-N	236.746	2.837	0	1	BFAF	
CC(=O)c1cccc(C(=O)c2ccccc2)c1N	26384865	DDKGPIPBVIJMTJ-UHFFFAOYSA-N	239.274	2.702	0	1	BFAF	
O=C1C=CC[C@H](c2cnc3ccccc3c2)O1	40934135	WGQDBTXDPAJOHV-CYBMUJFWSA-N	225.247	2.779	0	1	BFAF	
CCO[C@@H](c1ccc(Cl)cc1)C1CNC1	95553334	FWXVMQKDWPKVIN-LBPRGKRZSA-N	225.719	2.637	0	1	BFAF	
COc1cccc([C@H]2[C@H]3CC[C@@H](C3)[C@H]2CN)c1	253637808	LHKRTBGXNVJRCO-FATJJJSSSA-N	231.339	2.784	0	1	BFAF	
C[C@@H](O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1	586893892	XNSJPVPUKRZLHE-RXMQYKEDSA-N	245.109	2.793	0	1	BFAF	
COc1cc2c3c(c1)OC1(CC=CC1)[C@@H](C2)C3=O	587446830	GOIPDDUCMCXDJN-NSHDSACASA-N	242.274	2.531	0	1	BFAF	
CCCc1c(O)ccc2c1O[C@@H](C)CC2=O	587478620	GTSHZYNKUGXFSK-QMMMGPOBSA-N	220.268	2.698	0	1	BFAF	
CCC=CC[C@@]1(C)C(=O)CC[C@H]1CC(=O)OC	2356328992	OTKPGLYYTBWCFA-SMDDNHRTSA-N	238.327	2.891	0	1	BFAF	
C=CC1=C(C)[C@]2(C)[C@H](C)[C@H](O)C[C@@]2(C)[C@@H](O)C1	2356784825	QHDOCMQUXQLGTK-JSFFLRCESA-N	236.355	2.667	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@H]3NC(=N)NC(=C23)[C@@H]1CC	2356802314	SCBTVUSKBJXZBF-WRWGMCAJSA-N	247.386	2.993	0	1	BFAF	
CC(C)(C)OC(=O)/C=C/[C@H]1Cc2ccccc2N1	206036594	UNRYQWFCBQAYMD-BCPZQOPPSA-N	245.322	2.921	0	3	BFAF	
CN(Cc1nc(CC2CC2)no1)C1CCCCC1	11814610	PDGOPPCKPCMLOX-UHFFFAOYSA-N	249.358	2.787	0	1	BFAF	
C[C@H]1c2ccccc2NC(=O)N1CCCN(C)C	13553548	GRLWYANVXMOQSP-NSHDSACASA-N	247.342	2.547	0	1	BFAF	
CCCc1ccc([C@@H]2CCCN2C)cn1	13819445	PRZWMEZZLSVZHL-ZDUSSCGKSA-N	204.317	2.801	0	1	BFAF	
C/C=C(\NC(=O)C[C@@H](C)CC(C)(C)C)C(=O)O	26025674	YWFULJGZDXBCCV-WPVMNKCKSA-N	241.331	2.553	0	1	BFAF	
Cn1cnc2c(CN)c(-c3ccccc3)ccc21	29124980	TYRQURCDBOQLRH-UHFFFAOYSA-N	237.306	2.699	0	1	BFAF	
CC1(C)C[C@H]2C(=O)c3cnccc3[C@@](C)(O)[C@@H]2C1	238786273	CCLDZVYWGHUMES-DDHOLCJHSA-N	245.322	2.538	0	1	BFAF	
O=C(O)c1cc2nc(C=C3CCC3)[nH]c2cc1F	587964760	HEVWFBASFLCDJL-UHFFFAOYSA-N	246.241	2.968	0	1	BFAF	
CCCCC1=Cc2ccccc2S(=O)(=O)N1	1911585445	NTNWQTMIMDUCGE-UHFFFAOYSA-N	237.324	2.510	0	1	BFAF	
CCCCC[C@H]1CCC[C@H]2CC(=O)OCCN12	13382751	RUEUOZBKUCFMFL-STQMWFEESA-N	239.359	2.737	0	1	BFAF	biogenic
C=C1CC[C@@]2(O)[C@H]1C(=O)[C@H](C(C)C)CC[C@H]2C	14454450	YFBDNDYPTKETGA-COMQUAJESA-N	236.355	2.955	0	1	BFAF	biogenic
CC(=O)N/C=C/c1ccccc1Br	28705376	IJGZIAKDATWJSR-VOTSOKGWSA-N	240.100	2.556	0	1	BFAF	
C/C=C/C=C/C=C/[C@H]1C[C@@H](O)CC(=O)[C@@H]1C	84704683	JQUGOGSMHDBLNB-BIOSCNBNSA-N	220.312	2.651	0	1	BFAF	
C[C@@H](O)c1cc2c3ccccc3nc-2c[nH]1	100705556	MLTOLDZKRRZLDR-MRVPVSSYSA-N	212.252	2.721	0	1	BFAF	
Fc1ccc(C2=C[C@@H]3CC[C@@H](C2)N3)cc1	101300460	LKSXLNMBLGXHQS-STQMWFEESA-N	203.260	2.733	0	1	BFAF	
CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1O	158161560	FMYNVGVODWZNCM-UHFFFAOYSA-N	244.246	2.863	0	1	BFAF	
CC1=C[C@@H]2[C@H](CC1)[C@H](C)C[C@H](O)[C@]2(O)C(C)C	2356639670	ZGSRWTHKVMRAML-ZSAUSMIDSA-N	238.371	2.747	0	1	BFAF	
CCC1=CC[C@@](C)(CC[C@@H]2CCC(=O)O2)OC1	2356806328	VRSSQVLGPFLECG-JSGCOSHPSA-N	238.327	2.988	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)O1	14616539	VXIZSNZJQJVFMK-IRUJWGPZSA-N	210.317	2.949	0	1	BFAF	endogenous,in-man
c1cc2c(cn1)[C@H](N1CCCC1)CCC2	27188184	DXAMZDNYFBNONX-CYBMUJFWSA-N	202.301	2.555	0	1	BFAF	
CCCCCn1nc(C)c2c(C)cc(=O)oc21	27623653	OSRBTPMSMQZKRR-UHFFFAOYSA-N	234.299	2.797	0	1	BFAF	
O=C(CCc1ccc(O)cc1)c1cccc(O)c1	40834403	PECOWLIOSKJKSG-UHFFFAOYSA-N	242.274	2.913	0	1	BFAF	
Cc1c(O)c2c(c(C)c1CCO)CC(C)(C)C2	49145678	GCMUHPCLXBXQDH-UHFFFAOYSA-N	234.339	2.669	0	1	BFAF	
CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C	169342271	JQQICFVIEZVXBF-BMFZPTHFSA-N	245.366	2.936	0	1	BFAF	
Cc1ccnc2[nH]c([C@@H]3CCCC(=O)CC3)nc12	586887425	UERXRAXTXAUTLZ-SNVBAGLBSA-N	243.310	2.883	0	1	BFAF	
C[S@@](=O)(=NC(F)(F)F)c1ccccc1	1857607178	IWJHLEVMUAMSBY-AWEZNQCLSA-N	223.219	2.663	0	1	BFAF	
NC(=O)c1ccc(F)c(F)c1Nc1ccccc1	1857752151	HKFJAGKCMWNGKG-UHFFFAOYSA-N	248.232	2.807	0	1	BFAF	
CCn1c(C)csc1=NC(=O)c1ccccc1	263592329	QGSJABAKNUXEDA-UHFFFAOYSA-N	246.335	2.619	0	3	BFAF	
CCC[n+]1cccc2c1CC[C@H]1CCC[C@@H](O)[C@@H]21	26279816	JPZCKUFDKXCMRK-DAXOMENPSA-N	246.374	2.575	0	1	BFAF	
C[C@@H]1C[C@@H]2Cc3ncccc3[C@@]3(C1)NCCC[C@H]23	33915523	JJPMUZRSJKMFRK-JXFSHQFZSA-N	242.366	2.879	0	1	BFAF	
CC1=CO[C@@H](c2ccccc2)[C@H](C)[C@H]1O	40487263	ZCZKWXJIPYYHIU-KGYLQXTDSA-N	204.269	2.659	0	1	BFAF	
CC(=O)c1csc(Nc2cccc(O)c2)n1	103299412	UXUQSNNZHWDCPY-UHFFFAOYSA-N	234.280	2.795	0	1	BFAF	
Nc1ncc(-c2ccc(F)cc2)c(C2CC2)n1	299833107	OBBAXHOTXGYYSL-UHFFFAOYSA-N	229.258	2.742	0	1	BFAF	
Cc1cc2nc(C3CCC(N)CC3)[nH]c2cc1F	587256707	ONLUYMULHHMNAS-UHFFFAOYSA-N	247.317	2.995	0	1	BFAF	
CC[C@@H](C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587405893	OBNBXNZWZUUUSV-NOZJJQNGSA-N	233.311	2.957	0	1	BFAF	
N[C@H](N=O)c1cccnc1Oc1ccccc1	957756598	CJQFRJJOXHAWLX-LLVKDONJSA-N	229.239	2.598	0	1	BFAF	
O=C1C(O)=C(c2ccc(Cl)cc2)[C@@H]2CCCN12	1857651846	ZUCWEALICOMGLY-JTQLQIEISA-N	249.697	2.614	0	1	BFAF	
CCSc1cncc(SCC)c1CN	13608447	BKQJULZKHOXDBZ-UHFFFAOYSA-N	228.386	2.764	0	1	BFAF	
COc1c(O)ccc2c1ncn2-c1ccccc1	13798339	HGZZEXIWBHHTFK-UHFFFAOYSA-N	240.262	2.740	0	1	BFAF	
CC1=C(C)[C@]23CC[C@H](C)[C@H]2CC(=O)[C@@]3(C)C1=O	14709021	LUEUBVVPFGOSDR-JWTAOEPYSA-N	232.323	2.917	0	1	BFAF	biogenic
CN(C)CCC[C@]1(O)C[C@@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3	64437064	HCONCBNXIFELLM-AICCOOGYSA-N	237.387	2.515	0	1	BFAF	
C=c1c2ccccc2c(=C)c2oc(C(C)=O)cc12	95099325	OXRUQUIURKCSTP-UHFFFAOYSA-N	236.270	2.609	0	1	BFAF	biogenic,in-vitro
COc1ccc([C@@H]2CN3CCCC[C@@H]3CO2)cc1	169315897	VBWZSTYUCACGIZ-HIFRSBDPSA-N	247.338	2.621	0	1	BFAF	
Nc1ccc(-c2c[n+]3ccccc3s2)cc1	169318488	YEYWRJPGIJYFML-UHFFFAOYSA-N	227.312	2.736	0	1	BFAF	
S=C1N=C2CCC[C@H]2[C@H](c2ccccc2)N1	169726108	XCMOIYBNFINWKB-PWSUYJOCSA-N	230.336	2.857	0	1	BFAF	
Cc1cc2[nH]c(-c3cncc(F)c3)nc2c(C)n1	587177270	SVRPKDGVQBYEQP-UHFFFAOYSA-N	242.257	2.776	0	1	BFAF	
c1cc2c3c(cc([C@@H]4CCCNC4)nc3c1)CC2	587211133	CJWNPDBKAKXDSV-CYBMUJFWSA-N	238.334	2.800	0	1	BFAF	
C[C@@H]1[C@H](O)[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC(=O)[C@@H]12	2356393671	PLDRVGAFDSCTJO-ALKKWDPBSA-N	236.355	2.645	0	1	BFAF	
C1=C(Oc2cccs2)CC[N+](C2CC2)=C1	27192857	GKRMRASLKWZZSR-UHFFFAOYSA-N	220.317	2.660	0	1	BFAF	
CC(C)(C)N[C@@H]1[C@@H](O)[C@@]2(C)CC[C@@H]1C2(C)C	31900230	VBIQESJEDOKYKY-KZWBYHQPSA-N	225.376	2.560	0	1	BFAF	
CCCCCc1nc2c(c(C)c1O)CCN2C	84713460	QICPUXWGFWWPBS-UHFFFAOYSA-N	234.343	2.821	0	1	BFAF	
N[C@@H]1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2	100067074	INLFGRVNSNAIRT-QAHWYCSRSA-N	222.719	2.576	0	1	BFAF	
c1ccc(-c2ncc(-c3cc[nH]n3)cn2)cc1	118627840	TVNOXNGIVSLBHD-UHFFFAOYSA-N	222.251	2.534	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](CCO)[C@H](O)CC[C@@H]12	2356395556	RQNYHDXQABTVAQ-GUIRCDHDSA-N	240.387	2.972	0	1	BFAF	
CN1C[C@H](C(=O)O)Cc2c1ccc1ccccc21	2435357	GGNBIXQFUHIOOZ-LLVKDONJSA-N	241.290	2.533	0	3	BFAF	
CCCN1CCO[C@H]2c3ccccc3CC[C@H]21	29392759	AWZLBZREVQLYFE-CABCVRRESA-N	231.339	2.785	0	1	BFAF	
CC(C)c1cc2c(ccc3nc(N)nc(N)c32)o1	45189823	GRVXIGBRVPMDKY-UHFFFAOYSA-N	242.282	2.664	0	1	BFAF	
CCCCCc1cc2c(N)cccc2c(=O)[nH]1	96282488	LHCBLZMUDUKRFG-UHFFFAOYSA-N	230.311	2.843	0	1	BFAF	in-vitro
c1cc2c3c(c4c(nc3c1)-c1c[nH]nc1CC4)CC2	587211424	FVMGIXUFNGNGLU-UHFFFAOYSA-N	247.301	2.822	0	1	BFAF	
c1ccc(-c2ccccc2C2=NCCN2)cc1	13806063	OBRXTTWEHKAJLH-UHFFFAOYSA-N	222.291	2.703	0	1	BFAF	
COc1cc(C)oc(=O)c1-c1ccc(C)cc1	26637246	KGLVXECGJKZPHG-UHFFFAOYSA-N	230.263	2.932	0	1	BFAF	
CCCN1CCC[C@H](c2cccc(CO)c2)C1	29307662	BOTMSPLRFWVABA-HNNXBMFYSA-N	233.355	2.768	0	1	BFAF	
COc1ccc(Cc2cc(O)ccc2O)cc1	45349103	KYBXLWKGTICLOL-UHFFFAOYSA-N	230.263	2.697	0	1	BFAF	
COc1cc(CCNC(C)=O)c2ccccc2c1	82152056	DHHQTOAGAUAJTF-UHFFFAOYSA-N	243.306	2.527	0	1	BFAF	
c1ccc2c(c1)CC[C@H]1[C@@H](c3c[nH]cn3)[C@H]21	100766942	JRSOAPYTPOYVTE-BNOWGMLFSA-N	210.280	2.853	0	1	BFAF	
CC1=C[C@H]2[C@@H](CC1)[C@@](C)(O)CCC[C@]2(C)CO	238767065	CONIHLPSZDQHQB-BARDWOONSA-N	238.371	2.892	0	1	BFAF	
CC1=CCC[C@@]2(C)CC[C@](O)(C(C)C)[C@H](O)[C@H]12	238768659	PRGGSRMRYZVZGC-XGUBFFRZSA-N	238.371	2.891	0	1	BFAF	
Fc1ccc([C@@H]2NN=C3CCC[C@@H]32)cc1	1857539642	CDONTVCPPIMHIW-JQWIXIFHSA-N	204.248	2.626	0	1	BFAF	
C[C@@H]1CO[C@@H]2[C@@H]1CC[C@H](C)[C@]21C=C(CO)CC1	2356635478	ZJJLCEATKJINRL-BJBXXJATSA-N	236.355	2.766	0	1	BFAF	
Cc1nc2ccccc2n1-c1cccnc1	115244573	DLXTVJGUTDHEBI-UHFFFAOYSA-N	209.252	2.729	0	3	BFAF	
CC1(C)[C@@H]2CC[C@H]3COC(=O)C4=CC[C@@H]1C[C@]423	14558277	ADOYHGWXKOUPHN-YOLKCXPHSA-N	232.323	2.932	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@H]2[C@](C)(CC1=O)C[C@@H]1C[C@]21C	73310175	ZUTBZJSJTAUXPB-SLFYDOTPSA-N	236.355	2.789	0	1	BFAF	
Clc1ccc2c(n1)CC[C@@H]1[C@H]3CC[C@@H](N3)[C@@H]21	169342176	YFIIBDQLLAQNAF-GCUAXGRVSA-N	234.730	2.515	0	1	BFAF	
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@](C)(O)C[C@@H]12	238761607	PNPPFTXWBZJPGW-SBJFKYEJSA-N	240.387	2.971	0	1	BFAF	
COc1ccc([C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CN)cc1	253684194	KMHOEPPHTBTLAR-DDHJSBNISA-N	231.339	2.784	0	1	BFAF	
COc1cccc2c1CC[C@@H]1[C@H](c3cnc[nH]3)[C@@H]21	299827359	ZJLGJEJGRRINJB-TUKIKUTGSA-N	240.306	2.862	0	1	BFAF	
Cc1c(F)ccc2nc([C@@](C)(O)C(C)C)[nH]c12	586891686	UXXKPWCCPJUMRK-ZDUSSCGKSA-N	236.290	2.874	0	1	BFAF	
CC(=CCO)[C@@H]1C=C2C(=CC[C@@H](O)C2(C)C)CC1	2356325558	YOAXHSPUOPMCPG-DZGCQCFKSA-N	248.366	2.979	0	1	BFAF	
CC1=CCC(C)(C)[C@H](O)[C@@H]2C[C@@]2(C)[C@H](O)CC1	2356747118	RKDPETZBSSPSSM-KYEXWDHISA-N	238.371	2.891	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC(=O)[C@H](CO)[C@H]2[C@@H]13	2356795501	MCTUYJGRYPUICC-XAUBGQFWSA-N	236.355	2.502	0	1	BFAF	
NC[C@@]1(CC(=O)O)CCC[C@@H](c2ccccc2)C1	13779563	ZJAQPDQIWYAMGZ-HIFRSBDPSA-N	247.338	2.764	0	1	BFAF	
COc1ccc2c(c1)[C@@H](CNC(C)=O)CCCC2	26995809	KVNZIXQURKBZBY-CYBMUJFWSA-N	247.338	2.641	0	1	BFAF	
C[C@@H]1CNCCc2ccc(C(F)(F)F)cc21	28127765	GBYLNYMTYZRQLE-MRVPVSSYSA-N	229.245	2.955	0	1	BFAF	
Cc1cc(C(C)(C)C)cc(C)c1NC1=NCCN1	28390916	XGNDGQSAKIPSMK-UHFFFAOYSA-N	245.370	2.972	0	1	BFAF	
C[C@@H]1CC(=O)[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O	197430814	XIMICEGRDLIEAI-DJOIZQNCSA-N	236.355	2.789	0	1	BFAF	
COc1ccc2c(c1)[N+](=O)C1(CCCC1)N2O	377815865	GAUNECVUNUQADF-UHFFFAOYSA-N	235.263	2.585	0	1	BFAF	
COc1ccc(F)cc1[C@@H]1C[C@@H]1CNCC1CC1	1772627723	NMXXDUVHNZCKGY-DGCLKSJQSA-N	249.329	2.937	0	1	BFAF	
N[C@@H]1CC(C(F)(F)F)=NC=C1c1ccccc1	1857600243	LJPOPTUITOCGRA-SNVBAGLBSA-N	240.228	2.762	0	1	BFAF	
Nc1nc(-c2c(Cl)cccc2Cl)no1	76120	HXTIDVDZAFYNDR-UHFFFAOYSA-N	230.054	2.626	0	3	BFAF	
CCCCC[C@](N)(C(=O)O)c1ccccc1	13586416	LOQIWYHSGOTTAK-CYBMUJFWSA-N	221.300	2.506	0	1	BFAF	
C[C@H]1CCC[C@@](O)([C@@H](C(=O)O)c2ccccc2)C1	17149382	ZXADRCVGENLGTA-LNSITVRQSA-N	248.322	2.796	0	1	BFAF	
CC(C)Nc1nc(-c2ccccc2F)no1	21630008	KJKRXJDOBMIMDS-UHFFFAOYSA-N	221.235	2.696	0	1	BFAF	
CC1=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@H]2OC(=O)C(C)=C2CC1	36421718	UHDFWCWSGUBZKZ-ABHRYQDASA-N	246.306	2.516	0	1	BFAF	biogenic,in-vitro
CO[C@@H](c1ccc(Cl)c(Cl)c1)C1CNC1	95555888	QXCPNTPGHVWJSN-NSHDSACASA-N	246.137	2.900	0	1	BFAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC(CO)=CC[C@H]12	96085595	QNYUIPNTIJJURA-UMVBOHGHSA-N	238.371	2.892	0	1	BFAF	in-vitro
Clc1cncc2nc3ccccc3n12	103266971	NTBKZGDSKJLUMK-UHFFFAOYSA-N	203.632	2.536	0	1	BFAF	
CCc1c2[nH]c3ccccc3c2cc[n+]1C	140980785	FBKXHCGGHVFSKP-UHFFFAOYSA-O	211.288	2.708	0	1	BFAF	
CC1=C[C@H]2OC[C@](C)(O)[C@@H]3CC[C@@H](C)[C@]23CC1	238771457	OVRVTHVKQKPRTG-SEBNEYGDSA-N	236.355	2.909	0	1	BFAF	
CC1=C[C@]2(O)CC[C@](C)(O)[C@]23CC(C)(C)C[C@H]13	2356721877	QVPJAJHBGVFNNK-FAAHXZRKSA-N	236.355	2.645	0	1	BFAF	
CC(C)=C1Oc2cc3oc(=O)ccc3cc2[C@@H]1O	14611962	DPWHUPBQSNHRCZ-ZDUSSCGKSA-N	244.246	2.513	0	1	BFAF	biogenic
Fc1ccc2c(c1)CC[C@H]1N=C3SCCN3[C@H]21	28768692	XPMOYSXNDWOZFZ-VXGBXAGGSA-N	248.326	2.600	0	1	BFAF	
CCCCNc1nc2[nH]ncc2c(=S)s1	38351544	AGOJJPWEBZAKIE-UHFFFAOYSA-N	240.357	2.961	0	1	BFAF	
CCOc1ncnc2c1ncn2C1CCCCC1	45302329	HCOHWUMMNJHPSA-UHFFFAOYSA-N	246.314	2.730	0	1	BFAF	
Nc1nc2ccc(O)nc2n1C1CCCCCC1	118268498	GYUCVRSZLHCHSI-UHFFFAOYSA-N	246.314	2.614	0	1	BFAF	
COc1ccc(-c2cccs2)c(C=O)c1O	169699624	SFJUIGQOFHXNQM-UHFFFAOYSA-N	234.276	2.942	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@H]24)[C@@]1(C)[C@@H]53	195474296	LRNABWCLYGWJSN-USHDVKPJSA-N	231.383	2.913	0	1	BFAF	
CN1CCC[C@@H]1c1cncc([C@H]2CCCN2C)c1	257394510	CFMWWRWPGBAHFT-HUUCEWRRSA-N	245.370	2.615	0	1	BFAF	
CC(=O)Nc1cccc(-c2cccc(CN)c2)c1	1239528667	OUZZCULXRLIMGP-UHFFFAOYSA-N	240.306	2.771	0	1	BFAF	
CC(C)=C[C@@H](O)C[C@](C)(O)c1ccc(C)cc1	2356605597	LWSUCBOVPPLFKU-CABCVRRESA-N	234.339	2.920	0	1	BFAF	
CC1=NO[C@]2(C1)N(C)c1ccccc1C2(C)C	4058045	GHTQMJHSIVKCMG-AWEZNQCLSA-N	230.311	2.907	0	3	BFAF	
Cc1ccc2c(c1)S(=O)(=O)c1ccccc1O2	26188362	CGHZXICFAQJQIW-UHFFFAOYSA-N	246.287	2.934	0	1	BFAF	
CN1CCc2cccc3c2[C@H](CCC3)C1	27719231	FVQDUFUAKQSUQC-CYBMUJFWSA-N	201.313	2.594	0	1	BFAF	
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN(C)C2	34592741	WJIDGFVKDOMGDU-DETPVDSQSA-N	245.366	2.794	0	1	BFAF	
CC1=C[C@H](c2ccccc2)Nc2n[nH]c(=S)n21	45261975	QFCSIJIAMWGQDI-SNVBAGLBSA-N	244.323	2.968	0	1	BFAF	
C/C=C\c1ccc(/C=C/C(=O)OC)s1	238752338	GXFCENYLTXILIZ-ODYTWBPASA-N	208.282	2.967	0	1	BFAF	
CC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@@H](O)CC[C@@]21C	2356721881	RCYZLITTYILPNL-CTFRNJQSSA-N	236.355	2.501	0	1	BFAF	
CC1=C(O)C=C[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	4095915	KTZIVFXVIOPPCI-VTTLNAODSA-N	248.322	2.982	0	1	BFAF	in-vitro
CN1CC[C@]2(c3cccc(O)c3)CCC[C@H]1C2	13454252	ZQJGRSYDDMBMPJ-DZGCQCFKSA-N	231.339	2.908	0	1	BFAF	
CC(C)/C=C1\CN2CCCC[C@H]2[C@@](C)(O)C1	14440917	IDHCJVREQNIIJH-KGKULNKVSA-N	223.360	2.578	0	1	BFAF	
CCCN[C@@H]1CCc2c(OC)ccc(OC)c2C1	29213329	PSNOMAGNYXMJBT-LLVKDONJSA-N	249.354	2.561	0	1	BFAF	
C[C@H]1Cc2nc3cc4[nH]ncc4cc3nc2[C@H]1C	64448539	HOVDTOOFGJIJAJ-YUMQZZPRSA-N	238.294	2.802	0	1	BFAF	
CCCCCCOCN1C=CN(C)/C1=C\N=O	195795108	GTAAATRYBZPXRU-ZRDIBKRKSA-N	239.319	2.825	0	1	BFAF	
CS/C=C\N(C)C(=O)/C=C/c1ccccc1	238745969	GGZNHXWTLPWZRA-OCBXPSTGSA-N	233.336	2.992	0	1	BFAF	
Cc1[nH]c2ccc(Cl)cc2c1[C@@H](N)N=O	958520486	RELWPJZZGYQEEE-JTQLQIEISA-N	223.663	2.853	0	1	BFAF	
Cc1c(O)cc2c3c1C(=O)OC[C@@]3(C)CC2(C)C	2356640086	OGKCRIOQDYPIOZ-OAHLLOKOSA-N	246.306	2.810	0	1	BFAF	
CC(C)Cn1c2c(c(=N)c3c1CCC3)CCCC2	5294246	LTOPAPKKSSPWOA-UHFFFAOYSA-N	244.382	2.991	0	1	BFAF	biogenic
Cc1cc(C)[n+](-c2cccc(O)c2)c(C)c1	5378639	CEYGUPAKXMNXGG-UHFFFAOYSA-O	214.288	2.594	0	1	BFAF	
O=c1cccc(/C=C/c2ccc3c(c2)OCO3)o1	5945180	HVUYPPPEYCNSFQ-GQCTYLIASA-N	242.230	2.539	0	1	BFAF	
NC[C@]1(CC(=O)O)CCC[C@H](c2ccccc2)C1	13779566	ZJAQPDQIWYAMGZ-DZGCQCFKSA-N	247.338	2.764	0	1	BFAF	
CC(=O)OC/C=C(\C)CCC1=NCCCC1	14676716	LCFPXTCFLVXEEG-DHZHZOJOSA-N	223.316	2.901	0	1	BFAF	
Nc1ncc2cccc(-c3ccccc3)n12	63539483	NQWXPDWPIHDISD-UHFFFAOYSA-N	209.252	2.584	0	1	BFAF	
Cc1ccc(C[C@]2(C)SC(=O)[C@@H](C)C2=O)cc1	169717851	MNYRRFBCVIIAEC-HZMBPMFUSA-N	248.347	2.775	0	1	BFAF	
Cc1ccc(C[C@@]2(C)SC(=O)[C@H](C)C2=O)cc1	169717852	MNYRRFBCVIIAEC-QMTHXVAHSA-N	248.347	2.775	0	1	BFAF	
Cc1ccc(-n2ncc3c(O)nc(C)cc32)cc1	1857613112	WUMBGQVQQAWWEY-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
CO[C@@H]1C=C[C@@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@@]12O	2356365790	RVTBEMIQJSHHIE-KRJCKNDRSA-N	248.366	2.765	0	1	BFAF	
CC1=CCC(C)(C)[C@H](O)[C@@H]2C[C@]2(C)[C@H](O)CC1	2356747117	RKDPETZBSSPSSM-JLNYLFASSA-N	238.371	2.891	0	1	BFAF	
c1cn(CCCCCCCn2ccnc2)cn1	34416765	SDYQMTAMZPNGJF-UHFFFAOYSA-N	232.331	2.730	0	1	BFAF	
CS(=O)(=O)c1ccc(/C=C/c2ccoc2)cc1	64549920	QQRVCKLIZGPTIJ-NSCUHMNNSA-N	248.303	2.854	0	1	BFAF	
COc1cc(/C=C\c2cccc(=O)o2)ccc1O	85611740	PLGPNUVAFQBTFC-ALCCZGGFSA-N	244.246	2.524	0	1	BFAF	
N=c1c2ccc(Cl)cc2nc2n1CCCCC2	100976506	YQSFVLAYSTUSTE-UHFFFAOYSA-N	247.729	2.896	0	1	BFAF	
COc1ccccc1/C=C/c1ncccn1	653754003	RYTHOXIIQNKXBU-BQYQJAHWSA-N	212.252	2.656	0	1	BFAF	
C[C@@H]1[C@@H]2C[C@@H]3CC[C@]2(C)[C@@](O)(C[C@H]1O)C3(C)C	2356476263	GILFHGQCINVCMC-NBVFDPJVSA-N	238.371	2.581	0	1	BFAF	
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)C=COC=C(C)[C@H]21	14713443	CHJVABAWMKQXSI-RGCMKSIDSA-N	246.306	2.948	0	1	BFAF	biogenic
COc1cc2c(cc1OC(C)C)C[C@@H](C)C2=O	27654576	LTSJAOJBDFVFJN-SECBINFHSA-N	234.295	2.857	0	1	BFAF	
C[C@H](OC1=NCCN1)c1ccccc1C1CC1	45290488	BGPHEWUAKSHOBD-JTQLQIEISA-N	230.311	2.601	0	1	BFAF	
Oc1coc2ccc(Br)cc12	200732587	CPUAEZUFVYZPNJ-UHFFFAOYSA-N	213.030	2.901	0	1	BFAF	
Fc1ccc([C@H]2NN=C3CCC[C@H]32)cc1	1857539644	CDONTVCPPIMHIW-ZYHUDNBSSA-N	204.248	2.626	0	1	BFAF	
CC1=CC[C@@H]2[C@H]([C@@H]1O)[C@@H](C(C)C)CC[C@]2(C)O	2356463258	UWHNWJPJCCVVKQ-RYPNDVFKSA-N	238.371	2.747	0	1	BFAF	
CC1=CC[C@@H]2[C@H]([C@@H]1O)C(C)(C)CCC[C@@]2(C)O	898779	NUXLUAXOQWMFEE-RGCMKSIDSA-N	238.371	2.891	0	1	BFAF	biogenic
CCN(CC)CCOCCCc1ccccc1	3610859	OIHGPWMQZAPBJX-UHFFFAOYSA-N	235.371	2.978	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CCC1=O	5741631	IENXBWLABXSOLK-IDTSFGKNSA-N	236.355	2.933	0	1	BFAF	biogenic
CN1CCC(C[C@@H]2Cc3ccccc3C2=O)CC1	13449559	BPVUQMXHSAOCEZ-CQSZACIVSA-N	243.350	2.774	0	1	BFAF	
CC(C)=CCOc1cc(=O)[nH]c2ccccc12	15267318	OMAQSBSTRQMNRM-UHFFFAOYSA-N	229.279	2.873	0	1	BFAF	biogenic
CCC[n+]1cccc2c1CC[C@@H]1[C@@H]2CCC[C@H]1O	26271180	QVONKCBUMIKHBA-XNRPHZJLSA-N	246.374	2.575	0	1	BFAF	
Cc1ccc(C)c(OCc2c[nH]cn2)c1	27088957	UZMAAKFUJZGROT-UHFFFAOYSA-N	202.257	2.606	0	1	BFAF	
CC(C)(C)c1oc2ccccc2c(=O)c1O	28875449	RMDZJHRFMZJMQZ-UHFFFAOYSA-N	218.252	2.796	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1C[C@@H](O)CC[C@H]21	29477927	QQFIENYLNLQMEZ-JKOKRWQUSA-N	232.323	2.886	0	1	BFAF	
Fc1ccc2sc([C@]34CNC[C@H]3C4)cc2c1	40981296	CFWHOTMOLFXUOB-NOZJJQNGSA-N	233.311	2.901	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)C(=O)[C@@]3(C)C[C@H](O)[C@]21C3	257403667	DDUWSZBURGHFEW-XWKQNIGYSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
CC(=O)Cc1nc2cccc3c2c(c1C)CC3	587214378	SYVOUSYTSFMBEP-UHFFFAOYSA-N	225.291	2.773	0	1	BFAF	
CCn1c(O)c(N)c2cc(Cl)ccc21	958520485	ACTFXWNZWWVUTA-UHFFFAOYSA-N	210.664	2.602	0	1	BFAF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](C)O)N1	962944974	GLVFLNJWOCNVPP-IMSIIYSGSA-N	244.338	2.514	0	1	BFAF	
C=C=CCOc1ccc(C=CC(=O)OC)cc1	2356506512	LUTXPQCBZWHPTG-UHFFFAOYSA-N	230.263	2.593	0	1	BFAF	
O=C1CC(c2cc(-c3ccccc3)no2)C1	15974653	OWTMXDSQUJACQO-UHFFFAOYSA-N	213.236	2.788	0	3	BFAF	
CC1=C2C[C@@]3(C)[C@@H](C)CCC(=O)[C@@H]3C[C@@H]2OC1=O	14619349	IXMDYOSMFGVWJY-BHCNVRCUSA-N	248.322	2.644	0	1	BFAF	endogenous,in-man
C[C@@H](C1=Cc2ccccc2CC1)C1=NCCN1	29240525	QHNVRDAKRFFJJU-NSHDSACASA-N	226.323	2.654	0	1	BFAF	
O=C(/C=C/c1ccncc1)/C=C/c1ccncc1	34776528	DBAIDFYIOZZVFL-ZPUQHVIOSA-N	236.274	2.772	0	1	BFAF	
CC1=C[C@H]2C[C@]3(O)OC(=O)C=C3C(C)(C)[C@H]2CC1	40918817	FGUPQPDMAULLNU-PGUXBMHVSA-N	248.322	2.561	0	1	BFAF	
Cc1nc2cc3c(cc2s1)[C@@H]1CNC[C@@H]3C1	101029447	HPWMUPCSPGRYGY-IUCAKERBSA-N	230.336	2.779	0	1	BFAF	
O=C1C[C@@H](Sc2cccc3ccccc23)N1	299855659	BEMMBNRTCXRFTF-CYBMUJFWSA-N	229.304	2.778	0	1	BFAF	
CC(C)(O)[C@@H]1C=C2C(CO)=CCC[C@@]2(C)CC1	1772658180	XTVFAMPLJQDSED-WFASDCNBSA-N	236.355	2.813	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(CC1=O)C[C@@H]1C[C@@]12C	2356417390	ZUTBZJSJTAUXPB-CZQLTYJNSA-N	236.355	2.789	0	1	BFAF	
CC(=O)c1ccccc1-c1ncnc2[nH]ccc12	63539382	GMXNHZVARFMXAY-UHFFFAOYSA-N	237.262	2.828	0	1	BFAF	
CC1(C)O[C@@]2(C3CCCC3)CC[C@@H]1[C@H](N)C2	85543365	VZERVKJEZBMQPH-BZPMIXESSA-N	223.360	2.852	0	1	BFAF	biogenic,in-vitro
CN1C[C@@H]2CC[C@@H](C1)C2c1ccccc1	100947942	PCIZKUQSMBPAAB-STQMWFEESA-N	201.313	2.742	0	1	BFAF	
CCCCCCOCN1C=CN(C)/C1=C/N=O	136885986	GTAAATRYBZPXRU-BENRWUELSA-N	239.319	2.825	0	1	BFAF	
CC1=C2C[C@]3(C)[C@@H](C)CCC(=O)[C@@H]3C[C@@H]2OC1=O	169440673	IXMDYOSMFGVWJY-ZUVQAIGSSA-N	248.322	2.644	0	1	BFAF	
O=C1C[C@H](Sc2ccc(C(F)(F)F)cc2)N1	299864821	MYTUNYHRCHOHIT-VIFPVBQESA-N	247.241	2.644	0	1	BFAF	
O=C1C[C@H](Sc2ccc(Cl)cc2Cl)N1	299871210	YBOQSSBXZHSTPU-VIFPVBQESA-N	248.134	2.932	0	1	BFAF	
CN1C=Cc2c3n(c4ccccc24)C(=O)C=C[C@@H]31	2356818772	DWDZJRASRMMPKC-ZDUSSCGKSA-N	236.274	2.809	0	1	BFAF	
O=C1NC2(CCCCC2)[C@H]2CCCCC=C12	1619824	KBTYFEODFOAIPQ-LBPRGKRZSA-N	219.328	2.936	0	1	BFAF	
CCc1cc(NCc2ccccc2)c(=O)[nH]c1C	5887250	HEQCOEDABQUKBA-UHFFFAOYSA-N	242.322	2.858	0	1	BFAF	in-vivo
COc1cc2c(cc1OC)CC(N(C)C(C)C)C2	29225415	UGGJFPRZSVNYPN-UHFFFAOYSA-N	249.354	2.511	0	1	BFAF	
COc1ccc(C2=NC(C)(C)C(C)(C)N2O)cc1	40393136	WZXWPZQPNOGSCX-UHFFFAOYSA-N	248.326	2.704	0	1	BFAF	
COc1cccc2c1Cc1ccccc1[C@H]2CN	40849101	ZJILWLYMMRQWLR-OAHLLOKOSA-N	239.318	2.690	0	1	BFAF	in-vivo
CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC1=NCCC1)C2	6576760	YUSRZOLPOUXZON-COPLHBTASA-N	220.360	2.983	0	1	BFAF	
COc1ccc(CCc2cc(O)cc(O)c2)cc1	13340894	IESUMHOMOBBTGP-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	biogenic
O=C1C=CC[C@@H](/C=C/C2CCCCC2)O1	38218751	LRLSZIADZABCOB-VMPCVLLUSA-N	206.285	2.995	0	1	BFAF	
Cc1ccc2c(c1)C(=O)Nc1cc(N)ccc1O2	40428990	GVQKFZZVHLFZMM-UHFFFAOYSA-N	240.262	2.935	0	1	BFAF	
O=c1ccc2cc3c4c(oc3cc2o1)CC4	40981149	JHQCJXNRARIVPC-UHFFFAOYSA-N	212.204	2.638	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2[C@@H](O)C[C@H](C)[C@@H]2[C@@H]1O	238756600	BUEONAAYGVOTFR-FICWEOCZSA-N	240.387	2.683	0	1	BFAF	
Cc1ccc2[nH]c(C)c([C@@H](N)N=O)c2c1	957950245	OTNNZBWVSTWMCW-NSHDSACASA-N	203.245	2.508	0	1	BFAF	
Cc1c(F)ccc2c1[C@@]1(CCCOCC1)NCC2	962142112	FPGDKKHGYLFYNW-HNNXBMFYSA-N	249.329	2.676	0	1	BFAF	
Cc1ccoc1[C@@]1(C)NCCc2c(C)ccnc21	963072886	OWDBUXVYNQAEEU-HNNXBMFYSA-N	242.322	2.701	0	1	BFAF	
C[C@@H]1CC[C@H](CO)[C@@](C)(O)C2=CC(C)(C)C[C@@H]21	2356747643	KQDBJTFTSGZHJB-RTWAVKEYSA-N	238.371	2.748	0	1	BFAF	
Oc1cccc([C@H]2COc3cc(O)ccc3C2)c1	2563664	BMWNMQFETMHGID-GFCCVEGCSA-N	242.274	2.817	0	1	BFAF	biogenic
Cc1cc(O)cc2c1C[C@@H]1[C@H](C)CO[C@]1(C)O2	13309973	AYWHVIHSUTWUCM-GAJTVXKRSA-N	234.295	2.634	0	1	BFAF	biogenic
Cc1cc(O)c(C(C)C)c2c1C(=O)[C@H](O)[C@H](C)C2	13482804	ZQPNXVQVWRIUIH-YMTOWFKASA-N	248.322	2.560	0	1	BFAF	biogenic
NC1=N[C@@H](Cc2ccccc2)[C@H](C(F)(F)F)C1	13781180	UQPONPWAJJACRG-ZJUUUORDSA-N	242.244	2.537	0	1	BFAF	
C[C@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C	15160888	ZADVMZUKWWMSLQ-JSXSYOHWSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
Cc1cc2[nH]c(=O)ccc2cc1-c1cccnc1	26170989	JBQRJSKDSQQXFU-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
CN(C)c1ccccc1-c1nc2ncccc2[nH]1	28824589	UJIPMNMTYSIYOL-UHFFFAOYSA-N	238.294	2.691	0	1	BFAF	
CN(C)c1ccc(-c2nc3cc[nH]cc-3n2)cc1	101351859	GMMYZPCVUZWGSA-UHFFFAOYSA-N	238.294	2.643	0	1	BFAF	
C=CC(=O)Oc1ccc2c(c1)CCCC2	14969022	SFLLCEMYPIRSDY-UHFFFAOYSA-N	202.253	2.657	0	1	BFAF	
Clc1ccncc1C1=C[C@H]2CNC[C@@H](C1)C2	95579131	BHFQBHBXODOWRO-VHSXEESVSA-N	234.730	2.748	0	1	BFAF	
CC(=O)[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1N2C	100741908	IXBQQRJVGUUKAO-FPCVCCKLSA-N	243.350	2.842	0	1	BFAF	
CC12C[C@H]3CC(N)(C[C@H](C1)c1ccccc13)O2	101923186	ZKRUWHIDABWWIT-WZWWUGBPSA-N	229.323	2.885	0	1	BFAF	
Clc1ccc2nc(C3CC4(COC4)C3)[nH]c2n1	586915463	DILUYMIAEPTQHD-UHFFFAOYSA-N	249.701	2.505	0	1	BFAF	
C(=C1CCC1)c1nc2cc3c(cc2[nH]1)OCCO3	587964642	FCUBDRSPNWMADJ-UHFFFAOYSA-N	242.278	2.901	0	1	BFAF	
NO[C@@H](c1ccccc1)c1ccc(F)cc1F	1857617287	RQLRNXWMLXDXIS-ZDUSSCGKSA-N	235.233	2.945	0	1	BFAF	
COc1c2ccoc2nc2c(C=O)c(O)ccc12	15211927	WCQVBMMZMCJVBT-UHFFFAOYSA-N	243.218	2.508	0	1	BFAF	biogenic
CN(C)CCn1cnc2cccc3cccc1c32	26182218	LZMXFFMCRQHXJI-UHFFFAOYSA-N	239.322	2.751	0	1	BFAF	
CN(C)c1cc(N)c2c3c(sc2n1)CCCC3	42967059	AMNPTMJQZUXSAS-UHFFFAOYSA-N	247.367	2.823	0	1	BFAF	
CC[C@H](O)C(=O)OCCCC1CCCCC1	95578791	JGKAHLWNMQJXOB-LBPRGKRZSA-N	228.332	2.661	0	1	BFAF	
Cc1ccc(-c2nc(=O)ss2)s1	95591012	FIODRUAUOGJWLA-UHFFFAOYSA-N	215.324	2.602	0	1	BFAF	
Cc1ccc([C@H]2C[C@H]3CC[C@H]4[C@H]2C(=O)CN43)cc1	100846482	NWRMTPHQJUHLJH-NYTXWWLZSA-N	241.334	2.514	0	1	BFAF	
CC(=O)O[C@H]1CCCC[C@@H]1Nc1ccccc1	103278549	VPIZNHATCOSMLT-KBPBESRZSA-N	233.311	2.973	0	1	BFAF	
CCOC(=O)c1c(O)cc2cccccc1-2	196724044	RPIFNIFSFBJRBV-UHFFFAOYSA-N	216.236	2.674	0	1	BFAF	
C[C@]12N[C@H]([C@H](O)c3ccccc31)[C@@H]1CCCC[C@H]12	253853907	QUUVVNAADCNVJY-WXMODFLSSA-N	243.350	2.727	0	1	BFAF	
CN1[C@H]2C[C@@H]3c4ccc(O)cc4[C@@](C)(C2)C[C@H]31	299849652	PYMHTPDXBUEPIW-FFFUXKDYSA-N	229.323	2.614	0	1	BFAF	
O=NCc1c(F)cccc1Br	957633725	YGBZYNYOOVURSP-UHFFFAOYSA-N	218.025	2.855	0	1	BFAF	
N=C(N)Nc1cc(-c2ccccc2Cl)ccn1	1857633444	ISPGXTXSHSHOSD-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
CC1(C)C[C@@H](O)C[C@@]1(C)c1ccc(C(=O)O)cc1	2356324499	JGTUMRIHXGOGSV-DOMZBBRYSA-N	248.322	2.823	0	1	BFAF	
Cc1ccc2c(c1)C=CC(C)(C)[S@]2=O	4610817	OWRDGESCAWHHGA-CQSZACIVSA-N	206.310	2.908	0	3	BFAF	
CN1CC=C(n2ccc3ccccc32)CC1	13652379	XPGRSYZLQWUXKS-UHFFFAOYSA-N	212.296	2.818	0	1	BFAF	
OC/C=C(\Cc1ccccc1)c1ccccn1	14652386	UTVNYKLBXWXEQP-NTEUORMPSA-N	225.291	2.700	0	1	BFAF	
CCC(C)(C)c1ccc2nc(N)nc(N)c2c1C	45187484	RDWLWJCQLPKJGH-UHFFFAOYSA-N	244.342	2.790	0	1	BFAF	
CC[C@@H](N)[P@@](=O)(O)Oc1ccc(C)c(C)c1	49068931	WMYIGCBVWGIOST-NSHDSACASA-N	243.243	2.562	0	1	BFAF	
O=C(OCCCc1ccccc1)n1cccn1	299834954	TUOXYFPVDRIDDL-UHFFFAOYSA-N	230.267	2.501	0	1	BFAF	
O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)CC5	587215780	UXLDTFDHYYMEDC-MFKMUULPSA-N	249.313	2.952	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H](O)[C@H](C)[C@@]2(O)CC1	2356491711	OPICWDQWQDCFMW-RMEBNNNOSA-N	238.371	2.747	0	1	BFAF	
CC=C(C)[C@@H](O)c1cc(C(C)=O)ccc1O	2356666772	OVVAVVMDNSLTHN-CYBMUJFWSA-N	220.268	2.594	0	1	BFAF	
CC1(C)[C@H]2[C@H](O)C[C@@]3(C)CCC[C@]2(C[C@H]1O)C3	5742202	XUAASKRYNOBPBG-FWZIUSJTSA-N	238.371	2.725	0	1	BFAF	
CC(C)[C@@H]1CC=NN1C(=O)OC(C)(C)C	5963198	CEHOEXVMELJLMW-VIFPVBQESA-N	212.293	2.638	0	1	BFAF	
Oc1cccc(CCc2ccc3c(c2)OCO3)c1	72170700	YGEIWVIFYZOOKS-UHFFFAOYSA-N	242.274	2.906	0	1	BFAF	
c1cn(Cc2ccc(-c3ccoc3)nc2)cn1	84604699	BDOFEVRLGSFGCU-UHFFFAOYSA-N	225.251	2.586	0	1	BFAF	
CCCC/C=C\c1nc2cc(N)c(N)cc2[nH]1	587964626	AIDFFBSJCRGBEK-WAYWQWQTSA-N	230.315	2.931	0	1	BFAF	
Cc1sc2c(c1C)CCN[C@@]2(C)CF	963031040	SQZYFUZMPPLAEL-NSHDSACASA-N	213.321	2.695	0	1	BFAF	
Cc1cc(C)c2c(c1)OC[C@@]1(C)NCC[C@@H]21	1857556414	SXDNKQKMHDBAAG-SMDDNHRTSA-N	217.312	2.531	0	1	BFAF	
CCC=CC[C@H]1C(=O)CC[C@@H]1CCC(=O)O	2356500439	UEAQWDUMMDCPBH-GHMZBOCLSA-N	224.300	2.803	0	1	BFAF	
COc1ccc(C)c2c1OC[C@@H]1[C@@H]2CCCN1C	27853675	RPENLLADCXGWAG-NWDGAFQWSA-N	247.338	2.574	0	1	BFAF	
COc1ccc(/C(C)=C(/C)C(=O)NC2CC2)cc1	33649668	NJCVMQUEWFSPQQ-KHPPLWFESA-N	245.322	2.767	0	1	BFAF	
NC(=O)Cc1c(F)cccc1-c1ccccc1F	205727285	VJLDCOILWFYHSA-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
CN1CCC[C@@H]2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21	299832846	WPURYKDOSCZJJP-YIDVYQOGSA-N	248.414	2.591	0	1	BFAF	
Cc1nc(Nc2ccccn2)c(C)c(C)c1O	1857765874	TZHJBZPHFMPETD-UHFFFAOYSA-N	229.283	2.851	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)O[C@H](C)[C@@H](C)[C@@H]2CO1	2356324058	OYRLEHIYCBZMJA-JLIMGVALSA-N	224.300	2.514	0	1	BFAF	
C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[C@@H](C2)[N@@]13	2356373357	YOMXBMKPPPTBGZ-VEZSOWFRSA-N	239.318	2.614	0	1	BFAF	
C[C@@H]1[C@@H](O)C[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1C3	2356476262	GILFHGQCINVCMC-KPRRGPHJSA-N	238.371	2.581	0	1	BFAF	
CC[C@H](OC(C)=O)c1ccc(OC(C)=O)cc1	26947131	UAWHZODFGAHJCC-ZDUSSCGKSA-N	236.267	2.626	0	1	BFAF	
Oc1cc(Cc2ccc3ccccc3c2)[nH]n1	27711308	MDEWHHMNTCEERM-UHFFFAOYSA-N	224.263	2.859	0	1	BFAF	
COc1cccc([C@@H]2[C@@H](CN)[C@H]3CC[C@@H]2C3)c1	27997828	LHKRTBGXNVJRCO-FDEJFUCISA-N	231.339	2.784	0	1	BFAF	
COc1c2occc2cc2c(=O)cc(C)oc12	29402341	ZBPVTWPMQINAFD-UHFFFAOYSA-N	230.219	2.856	0	1	BFAF	
COc1ccc2c(c1)[C@H](CN)c1ccccc1C2	40976766	UKAGNBPAZOMJAO-MRXNPFEDSA-N	239.318	2.690	0	1	BFAF	in-vivo
Fc1ccc(Nc2n[nH]c3cccnc23)cc1	166884914	HCKPQXIQNINWMT-UHFFFAOYSA-N	228.230	2.841	0	1	BFAF	
COC(=O)/C=C\[C@H]1c2ccccc2[C@H](OC)[C@H]1C	195472123	CMKYBWAWPBVWFW-KWTOMECFSA-N	246.306	2.837	0	1	BFAF	
Cc1nc(NC(=O)C(C)(C)C)c(C)c(C)c1O	221323488	ZKVJSZGUZJLNKC-UHFFFAOYSA-N	236.315	2.697	0	1	BFAF	
CSCC(C)(C)c1nc2ccc(O)cc2[nH]1	586968299	BUTQPGJXBQZFDJ-UHFFFAOYSA-N	236.340	2.909	0	1	BFAF	
C[C@@H]1CC[C@]2(O1)[C@H](C)[C@@H](O)CCC2(C)C	2356384056	AENZJJQTCRHKBT-DCQANWLSSA-N	212.333	2.741	0	1	BFAF	
CC1=CN([C@H](C)C(=O)O)C=C2[C]1CC[C@@H]2C	2356833887	FNLBHKVYBFXXDK-WCBMZHEXSA-N	220.292	2.567	0	1	BFAF	
C[C@@H](O)CC[C@H]1[C@H](C)C[C@H](O)CC1(C)C	38524311	YLDOBTZIBQRAPU-WYUUTHIRSA-N	214.349	2.581	0	1	BFAF	biogenic,in-vitro
N=C1C[N+](CC23CC4CC(CC(C4)C2)C3)=NO1	71928344	DUTLAODPMODWGK-UHFFFAOYSA-N	234.323	2.590	0	1	BFAF	
COc1ccc(C2=NO[C@@H]3CCCC[C@@H]23)cc1	95579004	NHFZXSDWJUYGLY-CHWSQXEVSA-N	231.295	2.988	0	1	BFAF	
Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C	96085641	JEUPLAJVBQWXMD-LLVKDONJSA-N	248.322	2.893	0	1	BFAF	in-vitro
Cc1cc(Cl)ncc1[C@@H]1C[C@@H]2CC[C@@H]1N2	100071889	OGHPAVPNKPGGDV-QXEWZRGKSA-N	222.719	2.651	0	1	BFAF	
C[C@]12N[C@@H](Cc3cc(O)ccc31)c1ccccc12	100649108	YFQXIMCPJVXWDV-HOTGVXAUSA-N	237.302	2.856	0	1	BFAF	
Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1	100753785	BHBOTTMNPGXYAZ-KWQFWETISA-N	216.259	2.656	0	1	BFAF	
c1c[nH]c(-c2ccc3c(c2)[C@@H]2CNC[C@@H]3C2)c1	101030862	IVLQQMFRRZESBS-RYUDHWBXSA-N	224.307	2.856	0	1	BFAF	
CN(C)CCC[C@@H]1C2=C(CC=CC2)CC[C@@H]1O	169327470	DZOKOEWOLNWOPP-CABCVRRESA-N	235.371	2.746	0	1	BFAF	
C=C=CCN(C)Cc1cc2ccccc2n1C	197391349	WERYIEFXGPEHII-UHFFFAOYSA-N	226.323	2.951	0	1	BFAF	
C[C@H](O)CC[C@@H]1[C@H](C)C[C@H](O)CC1(C)C	238739233	YLDOBTZIBQRAPU-NOOOWODRSA-N	214.349	2.581	0	1	BFAF	
Cc1[nH]c2cccc(F)c2c1-n1ccnc1	587635535	JRKXBATYJBYBEC-UHFFFAOYSA-N	215.231	2.801	0	1	BFAF	
Cc1c(O)c(C)c2c(c1O)CO[C@@H](C)[C@@H]2C	2356485871	WDGGYGTUDYNFNV-RCOVLWMOSA-N	222.284	2.737	0	1	BFAF	
CC1=C[C@@H](C)[C@@H](c2ccccc2)OC1=O	13829255	RJWIJVNUCWRUMU-SKDRFNHKSA-N	202.253	2.867	0	3	BFAF	
CCc1cc2c(nc1CC)CCCN2CCOC	199726482	YMKJWPCMKKPOTO-UHFFFAOYSA-N	248.370	2.605	0	3	BFAF	
c1ccc(C(c2ccccc2)n2ccnn2)cc1	72180922	FNOTUCMOXQMXKW-UHFFFAOYSA-N	235.290	2.916	0	1	BFAF	
CC1(C)[C@H]2CC[C@]3(C)O[C@H](CC(=O)C2)C[C@H]13	169649695	SGUJEWUZYZMING-RSXIPKFTSA-N	222.328	2.949	0	1	BFAF	
CC1=C2C[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@H]2OC1=O	210766748	REFDVDWXWAWAOK-RMFPBWTJSA-N	248.322	2.906	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(C(N)=O)cc2[nH]1	586889090	KWTPUKKJPIJBGW-YMTOWFKASA-N	243.310	2.565	0	1	BFAF	
CC1=CCCC(CO)=C[C@@H]2[C@H](CC1)[C@]2(C)CO	2356433258	DCQFUTANYUEHLR-ZNMIVQPWSA-N	236.355	2.670	0	1	BFAF	
CCCCC[C@@H]1O[C@H](CC(=O)CC)CC[C@H]1O	2356742089	QHNVOXATDFDTNG-MJBXVCDLSA-N	242.359	2.844	0	1	BFAF	
COc1cc2ccnc3cc[nH]c(OC)c1-c23	13299268	UFAWCCWSNFDMPB-UHFFFAOYSA-N	228.251	2.685	0	1	BFAF	biogenic
Cc1cc2c(CO)coc2c2c1CC[C@@H](O)[C@H]2C	13397789	KFNIOOQVUNXCSG-NOZJJQNGSA-N	246.306	2.644	0	1	BFAF	biogenic
O=C1c2ccccc2[C@@H](O)[C@H]1c1ccccc1	28759448	BOFWHEVYJRKXQB-ZIAGYGMSSA-N	224.259	2.700	0	1	BFAF	
COc1cccc(C(=O)[C@H](C)NC(C)(C)C)c1	45385787	DGQVZUDAKWRJPY-JTQLQIEISA-N	235.327	2.655	0	1	BFAF	
CC(=O)Nc1cccc(-c2ccc(CO)cc2)c1	66103828	OTUWEFIQJKNZRO-UHFFFAOYSA-N	241.290	2.804	0	1	BFAF	
CC(=O)c1ccc2[nH]c3c(c2c1)CCN=C3C	71789448	YMESSDAPLKHVLH-UHFFFAOYSA-N	226.279	2.736	0	1	BFAF	
C[C@H]1C[C@H]2Cc3ncccc3[C@]3(C1)NCCC[C@H]23	86020848	JJPMUZRSJKMFRK-BCUIYNNISA-N	242.366	2.879	0	1	BFAF	biogenic,in-vitro
O=c1[nH]c(CC2CC2)cc(O)c1-c1ccccc1	209498818	SOBIPSSRRBEVAO-UHFFFAOYSA-N	241.290	2.700	0	1	BFAF	
Cc1cc2[nH]c(COC(F)(F)F)nc2c(C)n1	587122682	CZOLJTRDENFNER-UHFFFAOYSA-N	245.204	2.611	0	1	BFAF	
COc1cc2c3c(c1)O[C@@H](C(C)(C)C)[C@@H](C2)C3=O	587445687	MMZSUQQTYJLFGK-IINYFYTJSA-N	246.306	2.857	0	1	BFAF	
CCCN1CC[C@@H]2CC(=O)C[C@H]3CCC[C@H]1[C@H]32	1772641624	ZSGSKGCEZSNUNI-RJZRQDKASA-N	235.371	2.866	0	1	BFAF	
Cc1cc2ccc3c(c2cn1)O[C@H](C(C)(C)O)C3	2356452982	KAMHSHAKYKJKHS-ZDUSSCGKSA-N	243.306	2.618	0	1	BFAF	
O=C1NC2(CCCCC2)[C@@H]2CCCCC=C12	5566791	KBTYFEODFOAIPQ-GFCCVEGCSA-N	219.328	2.936	0	1	BFAF	
CCCCC[C@H]1N=C(N)C[C@H]1C(F)(F)F	13781178	PZGNHZIXEYPIPG-HTQZYQBOSA-N	222.254	2.875	0	1	BFAF	
Cc1cnc2[nH]c([C@H]3CCCC(=O)CC3)nc2c1	586885367	MHUJNNFIEMJCFR-JTQLQIEISA-N	243.310	2.883	0	1	BFAF	
Oc1nccc2nc(/C=C\c3ccsc3)[nH]c12	587026737	WZQOBLAJMFWOJI-UPHRSURJSA-N	243.291	2.895	0	1	BFAF	
COC(=O)[C@H](F)c1[nH]c2cccc(F)c2c1C	587634354	VQTXYZYDYGFGMR-SNVBAGLBSA-N	239.221	2.799	0	1	BFAF	
Cc1cccc(-c2cccc3ncnn23)c1	1239489768	JYLCMHCHRVANNM-UHFFFAOYSA-N	209.252	2.705	0	1	BFAF	
COC1=CC(=O)O[C@@H](C=CC2=CCCC=C2)C1	2356316481	OMNGEVNATYFZGG-LBPRGKRZSA-N	232.279	2.665	0	1	BFAF	
CC(C)[C@@H]1CCC(CO)=C2CC[C@@](C)(O)C[C@H]21	2356494986	AEIGTUFAPRNEKB-AEGPPILISA-N	238.371	2.892	0	1	BFAF	
CC=C(C)C(=O)Oc1cc(C)ccc1[C@@H](C)CO	2356550973	WLQGAANKDYIUIO-LBPRGKRZSA-N	248.322	2.962	0	1	BFAF	
COc1cc[nH]c1/C=C1\C(=O)Nc2ccccc21	13478419	VFRYWNKBMCTSEA-NTMALXAHSA-N	240.262	2.516	0	1	BFAF	
CCCCOc1ccc([C@H](C)N(O)C=O)cc1	29569473	BUSUPSAIUKINJN-NSHDSACASA-N	237.299	2.774	0	1	BFAF	
C[C@@H]1C[C@@H]2C[C@@H](O)[C@@H]3CCCN4CCC[C@H]2[C@@]34C1	33830290	ICWQJNDZXVMLCK-FWXGHANASA-N	249.398	2.658	0	1	BFAF	
CCCCC1=C(C)C[C@H]2CC[C@@H]3NC(N)=N[C@H]1[C@@H]32	35898600	OJHZDBGRMGYWJG-YXCITZCRSA-N	247.386	2.578	0	1	BFAF	
CCN(C)[C@H]1CCc2c(cccc2OC)C1	39249746	NRJKZWUNXDEHEF-LBPRGKRZSA-N	219.328	2.504	0	1	BFAF	
CN(C)CCC[C@]1(O)C[C@@H]2C[C@@H]3C[C@@H](C2)C[C@@H]31	102250597	HCONCBNXIFELLM-QTVXIADOSA-N	237.387	2.515	0	1	BFAF	
C[C@H](c1cccnc1)c1ccc(O)cc1O	147012022	NTFSNAYILIHCJN-SECBINFHSA-N	215.252	2.645	0	1	BFAF	
C[C@@H]1C[C@H]2Cc3ncccc3[C@@]3(C1)NCCC[C@@H]23	169380014	JJPMUZRSJKMFRK-DVZHBHJUSA-N	242.366	2.879	0	1	BFAF	
CCOC(=O)c1noc2c1CCc1sccc1-2	6724965	STYOZFLTEFVGRA-UHFFFAOYSA-N	249.291	2.678	0	1	BFAF	
CCc1ccc(-c2nc3cc(O)ccc3[nH]2)nc1	27864086	KUDJKPMXGHJPLX-UHFFFAOYSA-N	239.278	2.893	0	1	BFAF	
C[C@H]1CN(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)C2	29484223	WRTHKCNGTIHYHI-NVBFEUDRSA-N	231.339	2.546	0	1	BFAF	
Cc1c(F)cc(-c2nc3cnncc3[nH]2)cc1F	587132645	HDDGBKFMJZJHBQ-UHFFFAOYSA-N	246.220	2.607	0	1	BFAF	
CC(C)COc1cc(C(N)=O)cc2ccccc12	1772620202	HSEKMXOWDMHXBX-UHFFFAOYSA-N	243.306	2.974	0	1	BFAF	
CC(=CCC[C@]1(C)[C@@H]2CC[C@@H](CO)C[C@H]21)CO	2356696240	PLPBWYNMFNFHJA-KBUPBQIOSA-N	238.371	2.750	0	1	BFAF	
c1cn(CC[C@H]2CCCc3occc32)cn1	13808207	MVVKZSDUMIXCAZ-LLVKDONJSA-N	216.284	2.986	0	1	BFAF	
CNCC1c2ccccc2Cc2ccccc21	26380170	ZZEQOXMRTJPRMI-UHFFFAOYSA-N	223.319	2.942	0	1	BFAF	
C[C@]12N[C@H](Cc3cc(O)ccc31)c1ccccc12	27886022	YFQXIMCPJVXWDV-CVEARBPZSA-N	237.302	2.856	0	1	BFAF	
FC(F)(F)c1cccc2c1[C@@H]1CNC[C@H]2C1	28527667	YLTIOICAHCAKID-SFYZADRCSA-N	227.229	2.880	0	1	BFAF	
COc1cc(CO)ccc1Oc1ccccc1	28871022	LSFOXVUHLDAQSA-UHFFFAOYSA-N	230.263	2.980	0	1	BFAF	
CC1(C)[C@H]2CC[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H]3[C@H]21	43764067	DWNPMJOWAWGIMM-XUGXRQAHSA-N	238.371	2.581	0	1	BFAF	
CCNC(=O)Oc1ccc(SC)c(C)c1	103166786	LHXKRLOWAHDXKF-UHFFFAOYSA-N	225.313	2.825	0	1	BFAF	
NC(=O)c1cccc(-c2ccc(F)cc2)c1	117549836	JUVULXADAWDDQO-UHFFFAOYSA-N	215.227	2.592	0	1	BFAF	
CCCCN[C@H]1[C@@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]42)[C@@]1(C)[C@@H]53	195474290	LRNABWCLYGWJSN-LEHULEHLSA-N	231.383	2.913	0	1	BFAF	
Cc1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1	587962284	CNPYZGVKYPECGQ-SNVBAGLBSA-N	246.310	2.915	0	1	BFAF	
CN(c1cc(NC2CC2)ncn1)C1CCCCC1	1911572208	WAGOMLNFCQIYAM-UHFFFAOYSA-N	246.358	2.820	0	1	BFAF	
CC(=O)[C@H](C)C[C@@H](C)C=CC[C@H](C)C(=O)O	2356701011	PRYKRPSKOZIRLZ-GARJFASQSA-N	226.316	2.905	0	1	BFAF	
C[C@@]1(c2ccccc2)C[C@H]1NC1CCC(N)CC1	149628724	YCAWTMXHBSTPQD-FJBKBRRZSA-N	244.382	2.576	0	1	BFAF	
NC1CCC(N[C@H]2C[C@@H]2c2ccccc2F)CC1	149643428	XYAZRGFFUVDRRE-CHYWNLSLSA-N	248.345	2.541	0	1	BFAF	
CCN[C@H]1[C@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@]41CC	169358979	JWACGMVTPOOTMF-UWSNYAPSSA-N	217.356	2.523	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@@H]1C=CC[C@H]12	253640310	KQEBFIGSBWGPFB-NDLNZWKESA-N	226.323	2.545	0	1	BFAF	
Cc1ccc(NC(=O)SCCC(=O)O)cc1	1620318	YWDRFDKLIWCOPF-UHFFFAOYSA-N	239.296	2.735	0	1	BFAF	
COc1ccc2c(c1)CCC=C2c1c[nH]cn1	13765315	RSPLVLJXBIUYAQ-UHFFFAOYSA-N	226.279	2.796	0	1	BFAF	
CC[C@H]1[C@@H](O)C[C@@H]2CCC[C@@H]3CCC[C@@]1(C)N23	14677245	OCKFTNZOPPWTQJ-CAEXGNQWSA-N	237.387	2.943	0	1	BFAF	
CCCC(=O)Nc1noc2ccccc12	20442832	AOTABXSTFJMKTA-UHFFFAOYSA-N	204.229	2.566	0	1	BFAF	
Cc1oc2nc3oc(=O)ccc3c(C)c2c1C	49032687	XBAMPYLHNPUJBM-UHFFFAOYSA-N	229.235	2.859	0	1	BFAF	
c1ccc2[nH]c(C[C@@H]3C[C@H]3c3cnc[nH]3)nc2c1	1857585790	ABYWZGKRJFEJFL-VHSXEESVSA-N	238.294	2.632	0	1	BFAF	
COc1cccc2c1[nH]c1cc(O)c(C=O)cc12	13482926	ADNVQQUTORDGNW-UHFFFAOYSA-N	241.246	2.848	0	1	BFAF	biogenic
COc1cc(-c2ccccc2)ccc1CCN	13864190	GXIPZIWKSUZDAD-UHFFFAOYSA-N	227.307	2.863	0	1	BFAF	
CC(C)[C@@H]1C=C2[C@](C)(CC1)[C@@H](O)CC[C@@]2(C)O	15208678	AXHPSQVHJYJJBZ-CYUUQNCZSA-N	238.371	2.891	0	1	BFAF	biogenic
CCCCc1cncc(OC[C@@H]2CCCN2C)c1	26569510	KJKJEMGOLPUHLS-AWEZNQCLSA-N	248.370	2.897	0	1	BFAF	
CN1C[C@@]23Cc4ccc(O)cc4[C@@](C)(CC[C@@H]12)C3	29571021	HUBOTCKKRXYMHW-PMPSAXMXSA-N	243.350	2.690	0	1	BFAF	
O=C(O)/C=C/c1ccc(Cc2cccnc2)s1	36242148	VCOYGNYPFYCJIX-AATRIKPKSA-N	245.303	2.832	0	1	BFAF	
COCc1c(F)ccc2c1CC[C@H]2c1ncc[nH]1	40424132	NEABEQDKTHRKNB-LLVKDONJSA-N	246.285	2.773	0	1	BFAF	
CCCCOc1cccc2oc(=O)ccc12	40834383	XQFCETMVVIQEFR-UHFFFAOYSA-N	218.252	2.972	0	1	BFAF	
CCn1c2ccccc2c2cc[n+](C)cc21	49784922	UYPDJRFFVNWZQV-UHFFFAOYSA-N	211.288	2.639	0	1	BFAF	in-vivo
CC(C)C(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21	100051280	NOVRMYIRGSLBER-PJSNJIKXSA-N	220.312	2.786	0	1	BFAF	
O=C1C[C@@H](Sc2cccc(C(F)(F)F)c2)N1	299863610	LFMJYFUTCYRNIR-SECBINFHSA-N	247.241	2.644	0	1	BFAF	
COc1ccc(CCc2ccccn2)cc1OC	1857596407	YVRDUVJDISWCDN-UHFFFAOYSA-N	243.306	2.884	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12[C@@H](O)C[C@@]3(C)O	2356384503	SWFQSMGZEMSQMJ-OYFKMHTJSA-N	238.371	2.581	0	1	BFAF	
C[C@@H]1CO[C@@H]2[C@@H]1CC[C@H](C)[C@@]21C=C(CO)CC1	2356635479	ZJJLCEATKJINRL-OBRUSBNWSA-N	236.355	2.766	0	1	BFAF	
COC(=O)[C@@H]1Sc2cccc3[nH]cc(c23)[C@@H]1C	13480040	PPJMAHSZINPUCH-JVXZTZIISA-N	247.319	2.919	0	1	BFAF	biogenic
CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1	15122122	CFMWWRWPGBAHFT-GJZGRUSLSA-N	245.370	2.615	0	1	BFAF	biogenic
c1ccc(-c2cnn(-c3ccccc3)n2)cc1	37629865	YFCZTEWKTXRVPN-UHFFFAOYSA-N	221.263	2.934	0	1	BFAF	
C[C@H]1C[C@H](C)O[C@]2(C1)C(=O)Nc1ccccc12	66156387	PUASAJJEJHCSGU-BHDSKKPTSA-N	231.295	2.669	0	1	BFAF	
C[C@@H]1C(=O)S[C@](C)(CCc2ccccc2)C1=O	169719187	NDVCLVVVPXPPLD-IINYFYTJSA-N	248.347	2.857	0	1	BFAF	
C[C@H]1CC[C@]23[C@H](C)CC[C@H]2C(C)(C)O[C@]13O	238765465	GRRIYLFQXHZWQR-VSEIDBEKSA-N	224.344	2.946	0	1	BFAF	
C[C@H](F)[C@@H](N)c1nc2ccc(Cl)cc2[nH]1	587123298	INQWWIXZPVUJBU-SSDLBLMSSA-N	227.670	2.574	0	1	BFAF	
Cc1ccc2c(c1)C1=NCCCN1C(=S)S2	1857602764	VEXIKOBXIPCAHQ-UHFFFAOYSA-N	248.376	2.838	0	1	BFAF	
Cc1ccccc1C(=O)[C@@H]1CCCC[C@H]1O	1613656	YKTWQAXNOMZIKM-CHWSQXEVSA-N	218.296	2.729	0	1	BFAF	
CC(C)[C@@H]1C[C@]2(C)C(=CC1=O)C=CC(=O)[C@@H]2C	15200516	FYXFSGBBRSADTL-WBIUFABUSA-N	232.323	2.939	0	1	BFAF	biogenic
NC[C@]1(CC(=O)O)CC[C@@H](c2ccccc2)CC1	100805080	MTQJAJYWWIGFEW-OTVXOJSOSA-N	247.338	2.764	0	1	BFAF	
CC1(C)N[C@H]1[C@H](O)c1ccc(Cl)c(Cl)c1	169316467	VZDLIGXVHUBRJD-ZJUUUORDSA-N	246.137	2.777	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)C[C@H]3O	197719856	WKGPQOAMUAIBRO-FCNPYSRZSA-N	238.371	2.581	0	1	BFAF	
CCS[C@H](C)C(=O)c1ccc(O)c(OC)c1	2356518783	BULIKKKSPCTPQM-MRVPVSSYSA-N	240.324	2.725	0	1	BFAF	
COc1cc(=O)oc(-c2ccccc2)c1C(C)=O	4114191	YYIBVUHYCMSIBN-UHFFFAOYSA-N	244.246	2.518	0	3	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CC[C@H](O)C[C@@H]21	58587308	ZXASUIFTYKJPOW-KCQAQPDRSA-N	246.374	2.575	0	1	BFAF	
CC1(C)CCC(=O)[C@]2(C)[C@@]3(C)CC[C@@]12O3	238784352	ISABMWNDKIGJCM-JHJVBQTASA-N	208.301	2.703	0	1	BFAF	
CCCCCn1c(N)nc2c(N(C)C)cccc21	299825310	BWRFPSGVCYYOFA-UHFFFAOYSA-N	246.358	2.875	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cnccc2[nH]1	586911182	KWGPOYJEMGZPFW-CABZTGNLSA-N	231.299	2.631	0	1	BFAF	
CC1=CC[C@H]([C@](C)(O)[C@@H]2C[C@@H]2C(C)(C)O)CC1	2356326276	VTGQZIHVIHQHGP-XPCVCDNBSA-N	238.371	2.891	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@@H]1O	2356824558	GWCBXQJXFMEEBJ-GGUBGCTKSA-N	238.371	2.725	0	1	BFAF	
CN(C)c1nc(-c2ccoc2)nc2ccccc12	4268453	DSUNFLUPNDEDPT-UHFFFAOYSA-N	239.278	2.956	0	1	BFAF	
O=C1C2CCN(CC2)[C@H]1CCCc1ccccc1	26385309	WEHHZQORDMUZDN-HNNXBMFYSA-N	243.350	2.673	0	1	BFAF	
CCCc1cncc([C@@H]2CCCN2C)c1	28525451	HDNVCFZMZRSBIR-ZDUSSCGKSA-N	204.317	2.801	0	1	BFAF	
Cc1nc2ccccc2c2c1C(=O)[C@@H](C)C2=O	103290737	WLISRRRBDMIEGY-SSDOTTSWSA-N	225.247	2.558	0	1	BFAF	
C[C@H](O)Cc1nc2cccc(C(C)(C)C)c2[nH]1	586889948	INHKLKISSINYBX-VIFPVBQESA-N	232.327	2.784	0	1	BFAF	
Cc1[nH]c2cc(F)ccc2c1-n1ccnc1	587635845	OFQQYDXRXAELBD-UHFFFAOYSA-N	215.231	2.801	0	1	BFAF	
CCCCc1c(O)cc(CCC)oc1=O	1772576656	LPDBHPPHLOGGAA-UHFFFAOYSA-N	210.273	2.641	0	1	BFAF	
CC(C)[C@H]1CC[C@@H](C)C2=C1[C@H](O)[C@](C)(O)CC2	2356398686	ZFANDKTXWRNRMY-HKCMKHECSA-N	238.371	2.891	0	1	BFAF	
COc1ccc(C=CCO)cc1[C@@H]1C=C(C)CO1	2356465140	HVEZDXZXIXZTMG-HNNXBMFYSA-N	246.306	2.718	0	1	BFAF	
C[C@H](C1=NCCN1)c1ccc2ccccc2c1	13450522	MWIKFEVHBBAXIQ-NSHDSACASA-N	224.307	2.945	0	1	BFAF	
CN1C(=O)CCC2=C1CCc1cc(F)ccc12	40503794	SWWISKPZRGIFAJ-UHFFFAOYSA-N	231.270	2.735	0	1	BFAF	
CN1c2ccccc2[C@]23CCCC[C@]12NCC3	238755222	ZUFLZTBSMIZYAQ-CABCVRRESA-N	228.339	2.638	0	1	BFAF	
Cc1ccc2c(ccc3nc([C@@H]4O[C@H]4C)[nH]c32)n1	586917003	JVCCWCWNCWOSNB-ISVAXAHUSA-N	239.278	2.879	0	1	BFAF	
N[C@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@@H]1C2	1857609956	NKHNTAYDCXZLFL-IZLWQMGWSA-N	222.719	2.576	0	1	BFAF	
COCCc1c(C)cc2c(c1C)C(=O)[C@@H](C)C2	14682701	YGMHYALYIOLFQS-JTQLQIEISA-N	232.323	2.867	0	1	BFAF	endogenous,in-man
Cc1cccc(-c2noc([C@@H]3CCOC3)n2)c1C	19865268	UXXGMXLAMGVQFC-LLVKDONJSA-N	244.294	2.857	0	1	BFAF	
Cc1nc([C@H]2CCCN(c3ccccc3)C2)no1	72187576	ZHDHOUNCLQBOKS-LBPRGKRZSA-N	243.310	2.762	0	1	BFAF	
COC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1O2	100796024	VEWNLDNSIXATRX-AAVRWANBSA-N	246.306	2.511	0	1	BFAF	
CC[C@@]1(C(=O)NC(C)C)[C@@H](C)C1(Cl)Cl	103297043	MISGYOHQVPVOLA-APPZFPTMSA-N	238.158	2.731	0	1	BFAF	
CC[C@H](C)C[C@@]1(C)SC(=O)[C@H](C)C1=O	169719223	DGCWGCBTVBOIST-VAOFZXAKSA-N	214.330	2.660	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@@]12C	253685721	LRNABWCLYGWJSN-AIVGCHSCSA-N	231.383	2.913	0	1	BFAF	
COCCc1cnc2cccc3c2c1CC3	587211652	IJZXLGOGYANKIW-UHFFFAOYSA-N	213.280	2.522	0	1	BFAF	
[O-][N+]1=Cc2ccccc2CC12CCCCC2	8423	QRNXRSXIOHLEPD-UHFFFAOYSA-N	215.296	2.875	0	1	BFAF	
Oc1cccc2c1-c1cccc3c1[C@@H](C2)NCC3	3651666	MHKSWTAPYIFAAP-CYBMUJFWSA-N	237.302	2.802	0	1	BFAF	
Cc1cc2nnn([C@@H]3CCCCO3)c2cc1C	5822720	LENMEYVGKIGSTM-ZDUSSCGKSA-N	231.299	2.747	0	1	BFAF	
Oc1ccc([C@H]2CNc3cc(O)ccc3C2)cc1	28865986	GKAXYWNIEDJCER-GFCCVEGCSA-N	241.290	2.850	0	1	BFAF	
CCN1c2ccccc2[C@]2(CC)CCN(C)[C@H]12	40846319	OSITUDRHKICEAS-CABCVRRESA-N	230.355	2.836	0	1	BFAF	
CC1=CCC[C@]2(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@@H]12	238773321	LBZDGNDASDARLL-GUIRCDHDSA-N	238.371	2.891	0	1	BFAF	
Clc1ccc([C@@H]2C[C@H]3CCC[C@H]2N3)cn1	253636274	GDSORCYTZJIZHU-OUAUKWLOSA-N	222.719	2.733	0	1	BFAF	
c1cc2c3c(cc([C@H]4CCCN4)nc3c1)CC2	587212830	VWENNBHKEHXYHM-GFCCVEGCSA-N	224.307	2.758	0	1	BFAF	
CC(C)(O)c1cc2c3c(cccc3n1)CC2	587216121	ZUMWUVPIJHTESK-UHFFFAOYSA-N	213.280	2.561	0	1	BFAF	
COc1cccc(-c2cncn2C2CC2)c1	1911571132	QDUWABSVYNRIEJ-UHFFFAOYSA-N	214.268	2.894	0	1	BFAF	
O=C(CCc1ccccc1)c1c(O)cccc1O	15112794	COXYBORHISYFMV-UHFFFAOYSA-N	242.274	2.913	0	1	BFAF	biogenic
C[C@H](Oc1ccc2ccccc2c1)C1=NCCN1	27707161	KCDOZQKCPJJDTA-NSHDSACASA-N	240.306	2.609	0	1	BFAF	
C[C@H]1c2cc(Cl)ccc2[C@H]2CNC[C@H]21	36270540	JJOCQOJERGQSTR-CQFDHEJISA-N	207.704	2.760	0	1	BFAF	
c1ccc2c(c1)CC[C@@H]1[C@H](c3cc[nH]n3)[C@@H]21	169373131	FIORVGNTSODCHF-FPMFFAJLSA-N	210.280	2.853	0	1	BFAF	
CCC/C=C/COCN1C=CN(C)/C1=C\N=O	222400684	NRHXYIKYYQSKBM-VTNGQZISSA-N	237.303	2.601	0	1	BFAF	
CCc1ccc2nc([C@@H]3O[C@H]3C)[nH]c2c1	586917871	XCQOYFNMGIUESU-WRWORJQWSA-N	202.257	2.585	0	1	BFAF	
Cc1ccc2nc(-c3csc(O)n3)[nH]c2c1	587017536	LXMUWABDSWDFBE-UHFFFAOYSA-N	231.280	2.700	0	1	BFAF	
Cc1ccc2c(c1)C=CC(C)(C)[S@@]2=O	4610815	OWRDGESCAWHHGA-AWEZNQCLSA-N	206.310	2.908	0	3	BFAF	
CC[C@H]1C=C(c2ccc(C)cc2)C(=O)O1	3654448	RFBPKMXSXRYFDL-NSHDSACASA-N	202.253	2.714	0	1	BFAF	biogenic
COc1ccc2c(c1)C(c1c[nH]cn1)=CCC2	13765322	LODNSVZOBFYPFE-UHFFFAOYSA-N	226.279	2.796	0	1	BFAF	
CN1CC[C@]2(CCCc3ccccc32)C1	27761869	BIBARNODTDRLBO-CQSZACIVSA-N	201.313	2.596	0	1	BFAF	
COc1cccc([C@H]2[C@@H](CN)[C@H]3CC[C@@H]2C3)c1	27997823	LHKRTBGXNVJRCO-MMMKDXCPSA-N	231.339	2.784	0	1	BFAF	
CCC[C@H](C)Nc1nc(N2CCCC2)ncc1C	82201797	RRHBVLXPAQLVPU-LBPRGKRZSA-N	248.374	2.986	0	1	BFAF	
Cc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1	206402201	WSOOJEKUDGHUPJ-UHFFFAOYSA-N	247.319	2.681	0	1	BFAF	
O=C1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]2N1	216143360	PVIFDNDJKTUTKA-MCIONIFRSA-N	229.323	2.849	0	1	BFAF	
CC(C)(C)[C@H](N)c1nc2ccnc(Cl)c2[nH]1	587257609	HOUVSPYQYLOJFU-MRVPVSSYSA-N	238.722	2.657	0	1	BFAF	
CO[C@@H]1C=C2Cc3occ(C)c3C(=O)[C@H]2[C@H](C)C1	2356406571	ZTQAWNAQPWOWCS-WLTAIBSBSA-N	246.306	2.924	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)C[C@](C)(O)[C@H]3C[C@]312	2356708828	DQQQGAFDHZXUFN-KJEVXHAQSA-N	236.355	2.933	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C=C[C@H]([C@@](C)(O)CO)C[C@@]12C	2356774517	ZZHXTFNRDOZNKC-MRLBHPIUSA-N	238.371	2.748	0	1	BFAF	
Cc1cc(-c2ccccc2)cc2[n+]1CC=C2	1616890	DOLMKMXAOOHSSP-UHFFFAOYSA-N	208.284	2.976	0	1	BFAF	
C=C(C(=O)OCCN(CC)CC)c1ccccc1	1998215	URDLVRRNANUVCI-UHFFFAOYSA-N	247.338	2.585	0	1	BFAF	
O=C1c2ccccc2C(=S)N1[C@@H]1C=CCCC1	13529786	YAUJHPIQPBIXQI-SNVBAGLBSA-N	243.331	2.927	0	1	BFAF	
CC1=C[C@H](c2ccccc2)Nc2nnc(C)n21	45319922	UOUVVDHARUXXKG-GFCCVEGCSA-N	226.283	2.614	0	1	BFAF	
CC(=O)OCC=C(C)CCC1=NCCCC1	2356535860	LCFPXTCFLVXEEG-UHFFFAOYSA-N	223.316	2.901	0	1	BFAF	
COc1c(O)c(C(C)=O)cc2c1OC(C)(C)C=C2	13306066	LJJCHKIUOGODJO-UHFFFAOYSA-N	248.278	2.788	0	1	BFAF	biogenic
COC(=O)c1coc(/C=C/c2ccccc2)n1	38254579	MNSADQBIAXVCND-BQYQJAHWSA-N	229.235	2.632	0	1	BFAF	
C[C@@H]1C[C@@H](O)[C@H]2[C@@H]1C[C@H]1CC[C@]2(C)OC1(C)C	38321765	ZADVMZUKWWMSLQ-RWXDJMAFSA-N	238.371	2.987	0	1	BFAF	
CC(C)CC1=[N+]([O-])c2ccccc2C1=O	45301896	ODPYQVOTBHNHPS-UHFFFAOYSA-N	203.241	2.512	0	1	BFAF	
CNc1ccc2ncc(-c3ccc(F)cc3)n2n1	64479790	ZVPZLFAIHCCXLL-UHFFFAOYSA-N	242.257	2.577	0	1	BFAF	
CSc1nc2c3ccccc3nc-2c(O)n1C	100705158	JJDZAJAWAMTLNW-UHFFFAOYSA-N	245.307	2.501	0	1	BFAF	
C[C@@H]1CN(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)C2	253710527	WRTHKCNGTIHYHI-GMXABZIVSA-N	231.339	2.546	0	1	BFAF	
Clc1cc([C@@H]2C[C@H]3CC[C@H]2N3)cnc1Cl	261135458	LYYHSRQOEYGVSA-KHQFGBGNSA-N	243.137	2.996	0	1	BFAF	
Cc1cccc(-c2nc(C[C@@H](N)N=O)c(C)o2)c1	957756909	ZVHNUNBVSJLGHR-LBPRGKRZSA-N	245.282	2.552	0	1	BFAF	
COc1c(F)cc(F)cc1C(=O)c1ccc[nH]1	1772603080	WEQYSSSSXPNNLQ-UHFFFAOYSA-N	237.205	2.533	0	1	BFAF	
CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)NC3=O	1911570467	BFBFFXJJIJRIOA-BONVTDFDSA-N	247.338	2.566	0	1	BFAF	
C[C@H]1CC[C@@]2(C)[C@@]3(C)CC[C@@H](C[C@@H]13)[C@@]2(O)CO	2356625973	GXIANPKKUSLVEE-LZXPERKUSA-N	238.371	2.582	0	1	BFAF	
C[C@@H]1CC[C@]23[C@@H]1CC(C)(C)[C@H](O)[C@@H]2C[C@]3(C)O	2356810184	AXCJETACEBDQFV-FYPHCDFOSA-N	238.371	2.581	0	1	BFAF	
CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2	5599423	NDOSJFXEUZWLCD-NUEKZKHPSA-N	245.366	2.984	0	1	BFAF	
CC(C)c1ccc2c(c1)C[C@]1(CC2)CN=CN1	13743754	GBFJMFDOINWNCM-OAHLLOKOSA-N	228.339	2.669	0	1	BFAF	
CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@@H]21	13819981	FBOFPTJPVFSAHF-ZFWWWQNUSA-N	245.366	2.981	0	1	BFAF	
COc1cc(/C=C/c2cc(C)no2)ccc1O	13819991	JTNZBHKXZNSYRS-HWKANZROSA-N	231.251	2.868	0	1	BFAF	
CC#Cc1ccc(C=C[C@H]2OCCC[C@H]2O)s1	14517626	ZFNYLDYKZYWJJE-ZIAGYGMSSA-N	248.347	2.673	0	1	BFAF	biogenic
C/C=C\c1ccc(/C=C\C(=O)OC)s1	14680302	GXFCENYLTXILIZ-KPDBFRNYSA-N	208.282	2.967	0	1	BFAF	
C[C@@H]1CCCC(C)(C)[C@@]1(O)/C=C/C=C\C(=O)O	28876689	XRNXMVZXLFUIQI-ARHMHYJYSA-N	238.327	2.761	0	1	BFAF	
CCC12C[C@@H]3C[C@H](C1)CC(N(C)C)(C3)O2	40979934	WHLCHZNWMBDKMN-MPEURRAXSA-N	209.333	2.633	0	1	BFAF	
CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1	64548361	ASHFKBMVCDTQQO-VHDGCEQUSA-N	240.306	2.926	0	1	BFAF	
CC[C@@H](C)COc1ccccc1OC(=O)NC	84655512	YGOYGBFIKNSHIN-SNVBAGLBSA-N	237.299	2.830	0	1	BFAF	
N#Cc1ccc(-c2cncc3c2CC[C@H]3O)cc1	205712325	XGZKGNWPOUPZNB-OAHLLOKOSA-N	236.274	2.600	0	1	BFAF	
Oc1ccc(-c2ncc(C3CCNCC3)o2)cc1	1772633342	UOWWLNJITKMBSU-UHFFFAOYSA-N	244.294	2.514	0	1	BFAF	
N=C(N)Nc1cc(-c2ccc(Cl)cc2)ccn1	1857636328	UWRSUVDBZMYVRZ-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
Cc1nc(Nc2nccs2)c(C)c(C)c1O	1857770930	ZOJKEGHQLYMXEA-UHFFFAOYSA-N	235.312	2.913	0	1	BFAF	
CCCN(CCC)[C@@H]1Cc2cccc(O)c2C1	5833045	CJKPENGZQFFKLK-CYBMUJFWSA-N	233.355	2.981	0	1	BFAF	
COc1ccc2[nH]c3cc(O)c(C=O)cc3c2c1	13482916	INFFNJXOAJWVCS-UHFFFAOYSA-N	241.246	2.848	0	1	BFAF	biogenic
CCCOC(=O)CCCCCCCCO	238781486	VKYQNNZQNGFEGF-UHFFFAOYSA-N	216.321	2.663	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2cc(F)cnc2[nH]1	586910555	IJXDQZTUOUVHLS-KOLCDFICSA-N	249.289	2.770	0	1	BFAF	
C[C@H](Cc1nc2ccc(Cl)cc2[nH]1)N(C)C	587190276	GYYNTRAYTWBKQI-MRVPVSSYSA-N	237.734	2.709	0	1	BFAF	
C[C@H]1c2c(nc3cccc4c3c2CC4)CC[C@@H]1O	587215977	QILSMPWDYFOOBW-OTYXRUKQSA-N	239.318	2.744	0	1	BFAF	
CCCOc1ccccc1N(CC)C(C)=O	1772570788	IFUXECODBUELTF-UHFFFAOYSA-N	221.300	2.848	0	1	BFAF	
CCc1cccc(N2CCN(C)CC2)c1Cl	1857568523	WDYXVLOKALEPOS-UHFFFAOYSA-N	238.762	2.654	0	1	BFAF	
CCc1c(C(=O)OC)[nH]c2cc(OC)ccc12	1857597971	BMFWFGMKGBULET-UHFFFAOYSA-N	233.267	2.526	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12[C@H](O)C[C@@]3(C)O	2356384510	SWFQSMGZEMSQMJ-XZSFVTMWSA-N	238.371	2.581	0	1	BFAF	
CCCC[C@@H]1[C@H](C)C[C@H]2CCC3=C2[C@@H]1NC(=N)N3	2356415170	BOOHKNSPXWBALG-ZHSDAYTOSA-N	247.386	2.993	0	1	BFAF	
CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)OCC	2356522225	ZQIQZTGSDJKNLB-NEPJUHHUSA-N	238.327	2.891	0	1	BFAF	
CC1=CCC(C)(C)[C@H](O)[C@@H]2C[C@@]2(C)[C@@H](O)CC1	2356747119	RKDPETZBSSPSSM-RMRHIDDWSA-N	238.371	2.891	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC1=NCCC1)C2	6576759	YUSRZOLPOUXZON-SUNKGSAMSA-N	220.360	2.983	0	1	BFAF	
COc1ccc2c(c1)[C@H]1CCN(C)C[C@@H]1CC2	84688825	FEUJDFQHFVSOTK-JSGCOSHPSA-N	231.339	2.677	0	1	BFAF	
C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@H]3[C@@H](C2)N31	85547931	YOMXBMKPPPTBGZ-LVUWBPDCSA-N	239.318	2.614	0	1	BFAF	biogenic,in-vitro
O=C(Nc1ccccc1)O[C@@H]1C[C@H]2CCC[C@H]1N2	253632752	BLXVLQQWVJDBTF-JHJVBQTASA-N	246.310	2.518	0	1	BFAF	
Cc1cncc2nc([C@@H]3CCCC(=O)CC3)[nH]c12	586883762	DLLKAIKQKDPGBT-SNVBAGLBSA-N	243.310	2.883	0	1	BFAF	
O[C@H]1CC[C@@H](c2nc3ccc(F)cc3[nH]2)CC1	586899992	YMLFPYMYBCYHAR-WAAGHKOSSA-N	234.274	2.721	0	1	BFAF	
Cc1c(F)ccc2nc([C@@H]3CCOC3)[nH]c12	586912906	XTJSDMWWMVBHGX-MRVPVSSYSA-N	220.247	2.514	0	1	BFAF	
O=C1O[C@H](Cc2ccccc2)c2cccc(O)c21	13376441	LQPPEGMDLNARAO-CYBMUJFWSA-N	240.258	2.846	0	1	BFAF	biogenic
C=C1C(C)=CC(=O)[C@H]2C(C)(C)[C@H](O)CC[C@@]12C	14449319	MGYFDYDNOJDWGH-IPYPFGDCSA-N	234.339	2.875	0	1	BFAF	biogenic
CCCN(CCC)[C@@H]1Cc2cc(O)cc(O)c2C1	40504239	SBCBZNIMFWSCIN-GFCCVEGCSA-N	249.354	2.687	0	1	BFAF	
C[C@]12C[C@@H]3C=C[C@H]1C[C@@]1(CO)CC[C@H]1[C@@](O)(C3)C2	85547622	VWXJFXQIBPYSRN-KPRKPIBOSA-N	248.366	2.502	0	1	BFAF	biogenic,in-vitro
CC(C)C1=CC[C@@](C)(O)[C@H]2CC[C@](C)(O)[C@@H]2C1	238772113	FNMDHMSGEIODFP-YJNKXOJESA-N	238.371	2.891	0	1	BFAF	
C[C@H](Oc1ccccc1)[C@@H]1CCCN1C	473093479	UOPNAMLYCDNDDL-AAEUAGOBSA-N	205.301	2.548	0	1	BFAF	
C[C@H]1CCO[C@H](c2nc3cc(F)cnc3[nH]2)C1	586916524	ACBGYNQYCRWUEW-XVKPBYJWSA-N	235.262	2.585	0	1	BFAF	
Oc1cc2cc(F)c(Br)cc2[nH]1	957650940	QZQLGSSOFLWMFW-UHFFFAOYSA-N	230.036	2.775	0	1	BFAF	
C1=C[C@H]2N=C(c3ccncc3)c3cccn3[C@@H]2C=C1	1857596767	MGNSPDWMLCRWRT-ZIAGYGMSSA-N	247.301	2.770	0	1	BFAF	
CC(C)[C@H]1CC[C@@H](C)C2=C1[C@@H](O)[C@@](C)(O)CC2	2356398685	ZFANDKTXWRNRMY-FKGLVLAHSA-N	238.371	2.891	0	1	BFAF	
COCc1cc(=O)oc2cc3occ(C)c3cc12	13556044	KHEQLEGKKZNNTL-UHFFFAOYSA-N	244.246	2.994	0	1	BFAF	
C(=C/c1ncnc2[nH]cnc12)\c1ccccc1	13608619	IOJAMIUGZRIQGH-VOTSOKGWSA-N	222.251	2.523	0	1	BFAF	
O=C/C(Br)=C/Cc1ccccc1	72283159	VOZLBJITJTTZPR-YFHOEESVSA-N	225.085	2.707	0	1	BFAF	
CN1CC[C@@H]2c3ccccc3CC[C@H]2C1	84688826	HGPONHINTKRFQE-JSGCOSHPSA-N	201.313	2.668	0	1	BFAF	
CC1=C[C@@H]2[C@H](C[C@@H]1O)C(C)=CC[C@@H]2[C@H](C)CO	2356526759	KOEIHUNMBSXMQT-ZSAUSMIDSA-N	236.355	2.524	0	1	BFAF	
Cc1nnc2ccc(-c3ccc(Cl)cc3)nn12	27648076	QRYNFELNMCCSNE-UHFFFAOYSA-N	244.685	2.753	0	1	BFAF	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[C@@H](C)O	35874817	XSJPRWBZLUYOOI-FVCCEPFGSA-N	242.359	2.761	0	1	BFAF	endogenous,in-man
CCCCCC(=O)c1nc2ncccc2o1	72108654	WMXFCLKQEVMEKL-UHFFFAOYSA-N	218.256	2.986	0	1	BFAF	
Nc1ccc2c(c1)[C@H]1C[C@@]3(N)C[C@H]2C[C@@](F)(C1)C3	299841069	XRZPVRPIJYGFFZ-IDMWTJEOSA-N	246.329	2.833	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2cccc(Cl)c2[nH]1	586916830	GFZXQBPOQZTAJB-SSDLBLMSSA-N	208.648	2.676	0	1	BFAF	
C[C@@H](Cc1cc2c3c(cccc3n1)CC2)C(=O)O	587215623	RHNMANANXUHAKT-VIFPVBQESA-N	241.290	2.597	0	1	BFAF	
C[C@@H]1[C@@H](O)CCN[C@@H]1C=CC=Cc1ccccc1	2356579561	BDDSGELKWZUGTC-IMJJTQAJSA-N	243.350	2.615	0	1	BFAF	
Cc1ccc(C(=O)Oc2cccnc2)cc1C	225351	NEOOPGUGLLCQLO-UHFFFAOYSA-N	227.263	2.918	0	1	BFAF	
CC(C)[C@H]1COc2cc3oc(=O)ccc3cc2O1	3197451	IZXSTWMUJGTAMI-CYBMUJFWSA-N	246.262	2.589	0	1	BFAF	biogenic,in-vitro
c1ccc(-c2nnsc2-c2ncc[nH]2)cc1	3416199	ONWBNXDBHIXIGG-UHFFFAOYSA-N	228.280	2.595	0	1	BFAF	
CN1C[C@]2(C)C[C@@]23c2cccc4[nH]cc(c24)C[C@@H]13	6032350	ZWJHDICNUKHUGE-KBMXLJTQSA-N	238.334	2.686	0	1	BFAF	biogenic
c1ccc(-n2cnc3cc4c(cc32)OCO4)cc1	13798320	IDYRCYDXFSHXAN-UHFFFAOYSA-N	238.246	2.754	0	1	BFAF	
Cc1ccc2c(c1)C=C(C[C@H]1CN=CN1)CC2	13862068	CARKHHAGVCVTHK-HNNXBMFYSA-N	226.323	2.715	0	1	BFAF	
CC1(C)N[C@@H]1[C@H](O)c1ccc(Cl)c(Cl)c1	169316465	VZDLIGXVHUBRJD-NXEZZACHSA-N	246.137	2.777	0	1	BFAF	
COc1cc2c(c(OC)c1O)C=CC(C)(C)O2	238745903	VAKPMQNKGFYCOR-UHFFFAOYSA-N	236.267	2.594	0	1	BFAF	
CC(C)(O)Cc1cc2c3c(cccc3n1)CC2	587215581	QPDJAMQQBLWZSW-UHFFFAOYSA-N	227.307	2.647	0	1	BFAF	
CC1(C)C=CN(C(=O)c2cccnc2)C=C1	26383930	BVVHDLGDZSVHNK-UHFFFAOYSA-N	214.268	2.591	0	1	BFAF	
c1ccc(Oc2ccc(OC[C@@H]3CN3)cc2)cc1	27318917	JIOBYDXYKHIQDT-LBPRGKRZSA-N	241.290	2.830	0	1	BFAF	
CC(=O)CC[C@@H](CC[C@H](C)O)C(C)C	85947951	UYOFZKPSCHXDGY-CMPLNLGQSA-N	200.322	2.789	0	1	BFAF	
COc1ccc(C2=NO[C@H]3CCCC[C@@H]23)cc1	95579003	NHFZXSDWJUYGLY-OLZOCXBDSA-N	231.295	2.988	0	1	BFAF	
CN(Cc1ccccc1)C[C@@H]1[C@@H](O)[C@@H]2CC[C@@H]1C2	169340346	PHMYEAYOKNYDGR-WCVJEAGWSA-N	245.366	2.525	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1C[C@H]1C)O2	587405884	NYXBPELMXGRDPA-JRKPZEMJSA-N	231.295	2.567	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1[C@@H](O)C[C@]1(C)CCC[C@@]2(O)C1	2356340176	IWQJLGOXTOKUGR-FUQNVFFISA-N	238.371	2.725	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C[C@@H]3OCC4=C3[C@@H](OC4)[C@]12C	2356616880	JNYRITJWRVKNCG-USTATANYSA-N	234.339	2.927	0	1	BFAF	
COc1ccc2c(CCNC(C)=O)cccc2c1	13738651	KMHOYWNMNOQYRV-UHFFFAOYSA-N	243.306	2.527	0	1	BFAF	
CC(C)=CCC/C(C)=C/CSc1nnn[nH]1	29126265	HACKMGYRZZZYRC-JXMROGBWSA-N	238.360	2.985	0	1	BFAF	
C=C1NC(=O)C=C1c1cccc(C(F)(F)F)c1	139759424	FVMNHVRMVHLATL-UHFFFAOYSA-N	239.196	2.732	0	1	BFAF	
Cc1cc(F)c2[nH]c([C@H]3CC[C@@H](N)C3)nc2c1	587246891	JREWYVIBSBJWOI-DTWKUNHWSA-N	233.290	2.605	0	1	BFAF	
Cc1cc2[nH]c([C@@H](N)C(C)(C)C)nc2c(C)n1	587258986	ORIAERXQLXIUFD-LLVKDONJSA-N	232.331	2.621	0	1	BFAF	
COc1cc2c3c(c1)O[C@@H](C1CCC1)[C@@H](C2)C3=O	587446697	DIEVGEVVAJOSNW-NHYWBVRUSA-N	244.290	2.611	0	1	BFAF	
N[C@@H](N=O)C(c1ccccc1)c1ccccc1	957756791	PWELACGTUMMAFP-AWEZNQCLSA-N	226.279	2.870	0	1	BFAF	
O=c1cc(/C=C/c2ccc(Cl)cc2)[nH]cc1O	1772604152	IXCRGLLNXQAVIJ-ZZXKWVIFSA-N	247.681	2.904	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1[C@@H]3O	2356376473	SWPQNHOZMJNCGC-LMONPCFVSA-N	238.371	2.581	0	1	BFAF	
O[C@H]1c2ccccc2[C@H]2[C@H]1c1ccccc1[C@@H]2O	17191206	ZHODMXFAYOBKEZ-FZKCQIBNSA-N	238.286	2.648	0	1	BFAF	
c1cnc2[nH]c3c(c2c1)CCN1CCCC[C@H]31	27724823	QCUFMOWEXODOQM-GFCCVEGCSA-N	227.311	2.646	0	1	BFAF	
CCOC(=O)/C=C/n1ccnc1-c1ccccc1	40898337	YFKXFOCASJBSEU-CSKARUKUSA-N	242.278	2.584	0	1	BFAF	
C=Cc1ccc(-c2nc3c(O)nccc3[nH]2)cc1	586882236	WZNDHFZDMLHXJK-UHFFFAOYSA-N	237.262	2.974	0	1	BFAF	
CC(C)C[C@H](O)c1nc2cc3cn[nH]c3cc2[nH]1	586902055	WSFXAPAMKQLZFQ-LBPRGKRZSA-N	244.298	2.519	0	1	BFAF	
c1cc2c3c(cc(-c4ccncn4)nc3c1)CC2	587211645	HLORITSKJQNUCO-UHFFFAOYSA-N	233.274	2.790	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCC1)O2	587403990	BWKRPLVOBZUTHW-ZDUSSCGKSA-N	231.295	2.711	0	1	BFAF	
CC(C)CC1=C(O)N(O)[C@H](CC(C)C)C=N1	2356818143	DQSVWDUZTSIDHN-SNVBAGLBSA-N	226.320	2.950	0	1	BFAF	
Fc1ccc(-c2n[nH]nc2-c2ccncc2)cc1	13445014	GIUKJOXZIFLOOD-UHFFFAOYSA-N	240.241	2.673	0	1	BFAF	
CCCN1CCN(c2cccc3ccoc23)CC1	13738322	JSKHWHIBSRDAQC-UHFFFAOYSA-N	244.338	2.965	0	1	BFAF	
CC1=CO[C@H](c2ccccc2)[C@H](C)[C@H]1O	27179544	ZCZKWXJIPYYHIU-WXHSDQCUSA-N	204.269	2.659	0	1	BFAF	
NOC(c1ccc(F)cc1)c1ccc(F)cc1	34525878	NGIGPQUUKTUOCS-UHFFFAOYSA-N	235.233	2.945	0	1	BFAF	
COc1cccc(/C=C/[C@@]2(C)C=CC(=O)O2)c1	96921251	FWALQFUNQODNSL-OWNNVSBGSA-N	230.263	2.580	0	1	BFAF	
CO/C=C/c1cc2c3c(cccc3n1)CC2	587213168	GGFKKEKBDFBAJH-BQYQJAHWSA-N	211.264	2.951	0	1	BFAF	
Fc1cccc2[nH]c(C3CC3)c(-n3cncn3)c12	587636134	RMPSUTJFVQNLII-UHFFFAOYSA-N	242.257	2.765	0	1	BFAF	
Oc1ccc(Cn2cc[nH]c2=S)cc1Cl	13776327	GYOGVJQBZCLNOQ-UHFFFAOYSA-N	240.715	2.953	0	1	BFAF	
Cc1cc2c(c3c1CCOC3)CC(C)(C)[C@@H]2O	15166919	UFWZMDZKYPGNPV-CQSZACIVSA-N	232.323	2.683	0	1	BFAF	biogenic
CC[C@@H](C)Nc1nc(SC)nc2ncccc12	27653530	UFLLVHGKRSUCAI-MRVPVSSYSA-N	248.355	2.957	0	1	BFAF	
C=CC(=O)N1N=Cc2ccccc2[C@H]1CCC	66101019	VNDLFLVGQDYAQO-CYBMUJFWSA-N	228.295	2.890	0	1	BFAF	
CN1CC[C@]2(C)C[C@H](Cc3ccc(O)cc32)C1	100660565	ZOWQTJXNFTWSCS-XHDPSFHLSA-N	231.339	2.548	0	1	BFAF	
C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](CC)C1=O	169693621	PALFIRWEIHKIOY-HPGOCCIASA-N	224.325	2.746	0	1	BFAF	
CCOC(=O)c1ccc(-c2ccccc2)cn1	196964175	YLTRNHCOZCQBTP-UHFFFAOYSA-N	227.263	2.925	0	1	BFAF	
C[C@@H](F)[C@@H](N)c1nc2cc(Cl)cc(F)c2[nH]1	587126727	XUKSSKXSJFVMNP-SPGJFGJESA-N	245.660	2.713	0	1	BFAF	
CC1(C)C[C@H](O)C[C@@]1(C)c1ccc(C(=O)O)cc1	2356324508	JGTUMRIHXGOGSV-WFASDCNBSA-N	248.322	2.823	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@]12CC=C(CO)[C@H](O)C2	2356325088	MTFXKUDGSGWVIS-SPWCGHHHSA-N	238.371	2.748	0	1	BFAF	
CCC=CC[C@@H]1C(=O)CC[C@H]1CCC(=O)O	2356500480	UEAQWDUMMDCPBH-QWRGUYRKSA-N	224.300	2.803	0	1	BFAF	
COC(C=CC=Cc1ccccc1)=CC(=O)O	2356570733	UEXUYEGMVWZTNW-UHFFFAOYSA-N	230.263	2.871	0	1	BFAF	
O=c1oc2c3c4c(cc2s1)CCCN4CCC3	450213	KGBYKSRNKJGSOO-UHFFFAOYSA-N	247.319	2.553	0	3	BFAF	
c1ccc(NC2=NCCN2CC2CCCC2)cc1	15924695	GFSWZCLVCHBMAD-UHFFFAOYSA-N	243.354	2.960	0	3	BFAF	
CCCCC(=O)NCCCc1ccccc1OC	13755747	LOTQRBUCMKUTQE-UHFFFAOYSA-N	249.354	2.934	0	1	BFAF	
CC1=C2c3cc(C)c(O)cc3[C@@H](C)C[C@@H]2OC1=O	14445080	CNHPRYNNWGQLLZ-CPFSXVBKSA-N	244.290	2.907	0	1	BFAF	biogenic
CSc1ccc2c(c1)C(CCN)=CC2	27200443	RTASPUXNIKGFBD-UHFFFAOYSA-N	205.326	2.697	0	1	BFAF	
C[C@H]1c2ccccc2CC[C@@H]1CC1=NCCN1	29252262	MEZACYPXNIKTMX-DGCLKSJQSA-N	228.339	2.744	0	1	BFAF	
CC1=C[C@H]2Cc3nc4[nH]ncc4c(N)c3[C@@H](C1)C2	45286193	DAJQGVGIMGGYKT-BDAKNGLRSA-N	240.310	2.536	0	1	BFAF	
CSc1ccc(C[C@H](C)N(C)C)cc1	49018181	NFRBJBFYUNQIQP-JTQLQIEISA-N	209.358	2.901	0	1	BFAF	in-vivo
C/C(CO)=C1/CC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782057	VCKNBYBUMOAFMV-LGPMFMKZSA-N	236.355	2.502	0	1	BFAF	endogenous,in-man
O[C@@]12CCC[C@H](C1)SC(c1ccccc1)=N2	101001760	MXTATNQMWUVGBS-YPMHNXCESA-N	233.336	2.811	0	1	BFAF	
O=C(O)c1cnc2c3c(ccc2c1)CCCC3	169332869	FHFUCRKMAGZNFH-UHFFFAOYSA-N	227.263	2.812	0	1	BFAF	
COc1cncc(-n2ncc3cc(F)ccc32)c1	209609623	CKWFVAZKRRSUHV-UHFFFAOYSA-N	243.241	2.568	0	1	BFAF	
N#Cc1c[nH]c2nc(N)cc(-c3ccccc3)c12	219690186	QMJRKPFSSQENNG-UHFFFAOYSA-N	234.262	2.684	0	1	BFAF	
CCOC(=O)c1nc2cccc3c2c(c1C)CC3	587210977	AJYKQVSAGKTNQW-UHFFFAOYSA-N	241.290	2.819	0	1	BFAF	
O=C(O)c1ccccc1-c1csc(S)n1	1772643174	FRNKHKLIWOCJQF-UHFFFAOYSA-N	237.305	2.797	0	1	BFAF	
CC(=O)Oc1cccc2c1C=CC(C)(C)O2	2356283912	GMZYYFZNGOWVMM-UHFFFAOYSA-N	218.252	2.796	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@@H]3NC(=N)NC(=C23)[C@H]1CC	2356802313	SCBTVUSKBJXZBF-RHYQMDGZSA-N	247.386	2.993	0	1	BFAF	
CNc1ccc(-c2cccc(C(C)=O)c2)cn1	61926951	QKGDMCWJAXLOPR-UHFFFAOYSA-N	226.279	2.993	0	3	BFAF	
Oc1cc(O)c2cc(-c3ccncc3)cnc2c1	13738183	QYWQBBCHWNMFSG-UHFFFAOYSA-N	238.246	2.708	0	1	BFAF	in-vivo
O=C1Oc2ccc(O)cc2/C1=C\c1ccccc1	28523956	AVCRNUXURMRLGP-MDWZMJQESA-N	238.242	2.852	0	1	BFAF	
Cc1cccc(N(O)[C@@H]2C=C[C@@H](OC(C)C)C2)n1	73166914	MNCFEZXZVAAKLI-CHWSQXEVSA-N	248.326	2.708	0	1	BFAF	
CN1CCC[C@]12CCc1ccccc1C2	169315953	YKAGSHHKHLFNHK-CQSZACIVSA-N	201.313	2.640	0	1	BFAF	
Cc1cc(F)c2[nH]c(C[C@@H](C)N(C)C)nc2c1	587189329	BLSAFZSVQFCETL-SECBINFHSA-N	235.306	2.503	0	1	BFAF	
C=CC1=C(C)[C@]2(C)[C@H](C)[C@H](O)C[C@]2(C)[C@@H](O)C1	2356784826	QHDOCMQUXQLGTK-TVKJYDDYSA-N	236.355	2.667	0	1	BFAF	
CCCCC[C@]1(OC)OC(=O)C(C)=C1C	14589544	QDIFXAAXCWCFQE-LBPRGKRZSA-N	212.289	2.803	0	1	BFAF	biogenic
CCCN1CCC=C(c2csc(NC)n2)C1	26938695	PYYWPVKGPXCJDC-UHFFFAOYSA-N	237.372	2.684	0	1	BFAF	
CCc1cc[n+]([O-])cc1Oc1ccccc1	27902862	YESFCLMJBOHFRY-UHFFFAOYSA-N	215.252	2.675	0	1	BFAF	
C[C@H](C(=O)c1ccccc1)C(=O)c1ccc[nH]1	103293340	LJKHVEQOFMKYQU-SNVBAGLBSA-N	227.263	2.716	0	1	BFAF	
Fc1cnc(Cl)c2[nH]c(C3=COCC3)nc12	586912053	CFKNDZVXJQWORH-UHFFFAOYSA-N	239.637	2.512	0	1	BFAF	
N[C@@H](c1ccsc1)c1nc2ccccc2[nH]1	587027195	QIWGSQGYTHVLLE-NSHDSACASA-N	229.308	2.673	0	1	BFAF	
O=C(Cc1cc2c3c(cccc3n1)CC2)C1CC1	587213129	GMICYDBCONYXRE-UHFFFAOYSA-N	237.302	2.855	0	1	BFAF	
Cc1cc2nc(-c3cncc(N)c3)[nH]c2cc1F	587254725	WNSFOWNHXQUDDN-UHFFFAOYSA-N	242.257	2.655	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)[C@H](O)C[C@H]2C(C)C)[C@H](O)C1	2356535936	CPFGTXNXFPHSEY-IGQOVBAYSA-N	236.355	2.667	0	1	BFAF	
Cc1oc(=O)cc(OCc2ccccc2)c1C	61944968	JCHQMBCQAPAEJD-UHFFFAOYSA-N	230.263	2.836	0	3	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@]3(O)C[C@]2(C)CCC1	14452258	MLGOBEWPILAUFJ-LSDHHAIUSA-N	248.322	2.849	0	1	BFAF	biogenic
CCc1ccc(C2=CN3CCC2CC3)o1	53174619	CUYJUFFZSFIMQM-UHFFFAOYSA-N	203.285	2.909	0	1	BFAF	
CCn1c(=S)n(C(C)=O)c2ccccc21	72112576	AJRJUBYSOAOJIF-UHFFFAOYSA-N	220.297	2.852	0	1	BFAF	
Cc1ncsc1[C@H](CO)c1ccccc1	95555127	FBJUBSLSSWBUMH-LLVKDONJSA-N	219.309	2.576	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(N)c(N)cc2[nH]1	586893907	ZQZDLXKNWVFDRU-UHLUBPPHSA-N	230.315	2.631	0	1	BFAF	
C[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4	587215106	HZFXAXULCMKNRP-SECBINFHSA-N	237.302	2.952	0	1	BFAF	
C[C@@H]1CCCC2=C[C@H](O)[C@@H](C(C)(C)O)C[C@@]21C	2356691041	VYLHYKHUCVHIKW-GVUJHPQVSA-N	238.371	2.891	0	1	BFAF	
CC1(C)CCC=C(c2ccc(C(=O)O)cc2)[C@@H]1O	13415891	IMLJRZZCCDBCEP-ZDUSSCGKSA-N	246.306	2.949	0	1	BFAF	biogenic,in-vitro
CS/C=C/C(=O)N(C)CCc1ccccc1	14709597	MJMYEUZTXGLJEX-PKNBQFBNSA-N	235.352	2.564	0	1	BFAF	
C[C@H](N)Cn1ccc2ccc3ccncc3c21	28568594	WLQHTTMOCDZDRH-JTQLQIEISA-N	225.295	2.537	0	1	BFAF	
CN1C[C@@H](C23CC4CC(CC(C4)C2)C3)N(C)C1=O	28817655	FNTPTBNBDIMSBE-MFORYBBRSA-N	248.370	2.569	0	1	BFAF	
CC[C@H](Cc1cccs1)NC1=NCCC1	39200590	ORKMFTBOFXWRIL-SNVBAGLBSA-N	222.357	2.851	0	1	BFAF	
CCCCN[C@H]1[C@@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@]12C	299814538	LRNABWCLYGWJSN-HPXRPEJLSA-N	231.383	2.913	0	1	BFAF	
O=C1C[C@@H](C2CCCC2)Oc2cc(O)cc(O)c21	299824981	FGNPXTVOIOTASC-LBPRGKRZSA-N	248.278	2.622	0	1	BFAF	
CNc1ccccc1-c1nc(C(=O)O)cs1	299841023	XLIQJCUAXROFGQ-UHFFFAOYSA-N	234.280	2.550	0	1	BFAF	
CCCCCNC[C@@H]1CCc2ccc(O)cc2O1	13775946	DOZIVYHWZVQTFR-AWEZNQCLSA-N	249.354	2.866	0	1	BFAF	
CC(C)C1=C[C@H]2[C@](C)(CC1)[C@H](O)CC[C@@]2(C)O	15208709	RGIVMNUHSHEEPN-LJISPDSOSA-N	238.371	2.891	0	1	BFAF	biogenic
COc1ccccc1CCN1CCC[C@@H]1C	29130803	KDVUGYDZNTZESD-LBPRGKRZSA-N	219.328	2.722	0	1	BFAF	in-vivo
C[C@@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@H]12	195351827	FMBYQEIJDWNYNT-SMHDLBEQSA-N	228.339	2.815	0	1	BFAF	
CO[C@@H]1C=C[C@@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@@]12O	2356616778	GPHREGVQROBXIU-ZGTOCVDXSA-N	248.366	2.765	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@](C)(O2)[C@@H](O)[C@@H]13	2356690790	KYCJKHVCYJLBJM-XDSHMYFISA-N	238.371	2.987	0	1	BFAF	
C[C@@H]1CC[C@H](CO)[C@](C)(O)C2=CC(C)(C)C[C@@H]21	2356747641	KQDBJTFTSGZHJB-BLTAXRJOSA-N	238.371	2.748	0	1	BFAF	
CC[C@@H](C)C(=O)Cc1oc(=O)c(C)c(C)c1C	2356785452	AFFUTBFQKWZWER-MRVPVSSYSA-N	236.311	2.723	0	1	BFAF	
Nc1ccccc1C=CC(=O)Oc1ccccc1	3845205	PNMHLILTWUMHHX-UHFFFAOYSA-N	239.274	2.888	0	1	BFAF	biogenic
CC(C)Cc1ccc([C@@H](C)N(O)C(N)=O)cc1	13605379	FBLDKAJQWYMCKR-SNVBAGLBSA-N	236.315	2.716	0	1	BFAF	in-vivo
CC1=C[C@@H](c2ccccc2)Nc2n[nH]c(=S)n21	45261977	QFCSIJIAMWGQDI-JTQLQIEISA-N	244.323	2.968	0	1	BFAF	
Cc1n[nH]cc1-c1ccnc(NC2CCCC2)n1	64513846	YMRCYWPBGGJWQL-UHFFFAOYSA-N	243.314	2.530	0	1	BFAF	
Clc1cncc(C2=C[C@H]3CNC[C@@H](C2)C3)c1	95577102	PQBYYZBQJKBZMS-VHSXEESVSA-N	234.730	2.748	0	1	BFAF	
Cc1ccc([C@@]23C[C@H]2CN(CC2CC2)C3)cc1	101781116	AAZHRZKYPZLHSR-HOTGVXAUSA-N	227.351	2.978	0	1	BFAF	
Fc1cccc(Nc2n[nH]c3cccnc23)c1	118720863	KPFDJVOMBUAQPT-UHFFFAOYSA-N	228.230	2.841	0	1	BFAF	
CSC=CNC(=O)C=Cc1ccccc1	2356644827	UZYLTVKDCGMZIY-UHFFFAOYSA-N	219.309	2.650	0	1	BFAF	
CSC(=S)NC=Cc1ccc(O)cc1	2356761963	OPOPSTAOKBUQNZ-UHFFFAOYSA-N	225.338	2.600	0	1	BFAF	
CS[C@@H]1C[C@H]2[C@@H](C[C@@]1(C)O)C2(C)C	5742353	BEBHJEIMSRXFJR-YSSBGUOXSA-N	200.347	2.535	0	1	BFAF	
O=C(O)c1ccc([C@@H]2CCCc3cncn32)cc1	13820304	KLIYHHIBTVVFPB-ZDUSSCGKSA-N	242.278	2.507	0	1	BFAF	
O=c1cccc(/C=C\c2ccc3c(c2)OCO3)o1	14591351	HVUYPPPEYCNSFQ-XQRVVYSFSA-N	242.230	2.539	0	1	BFAF	
CC(C)=C1OC(=O)N(c2ccc(F)cc2)C1=O	34347298	VJLTWTZKHZJWRA-UHFFFAOYSA-N	235.214	2.603	0	1	BFAF	
O=C1CCC2(CC1)Cc1ccccc1C2=O	39191070	JZPGPYIDLCJKOZ-UHFFFAOYSA-N	214.264	2.555	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3COC(=O)[C@]32C)C1	85552268	ZSRQNNNSHRCNQE-YGEZULPYSA-N	220.312	2.788	0	1	BFAF	
OC12C[C@H]3CC(C[C@@H](C3)C1)N2Cc1ccccc1	169295880	MJNYRQGREJARAA-WXLSXGNJSA-N	243.350	2.770	0	1	BFAF	
C/C(=C\C(=O)O)CC/C=C(\C)CCC(=O)O	169622031	DCSNNHVJJADJBX-JKHSSWLHSA-N	226.272	2.609	0	1	BFAF	
C/C=C(\C)[C@H](O)c1cc(C(C)=O)ccc1O	225686075	OVVAVVMDNSLTHN-GBVBUYCNSA-N	220.268	2.594	0	1	BFAF	
C/C=C(/C)[C@H](O)c1cc(C(C)=O)ccc1O	225686102	OVVAVVMDNSLTHN-UKOWJOKBSA-N	220.268	2.594	0	1	BFAF	
C/C=C\C=C/CCc1c(O)ccc(O)c1CO	238789171	BLJACAZTWNHFLF-LDIADDGTSA-N	234.295	2.655	0	1	BFAF	
C[C@@H]1C[C@]12CC[C@](C)(O)[C@@H]1CCC(CO)=C[C@@H]12	2356391114	JVZDURHSPPZZBH-JSFFLRCESA-N	236.355	2.502	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC(=O)[C@H](CO)[C@H]2[C@H]31	2356795499	MCTUYJGRYPUICC-DWJLGYRFSA-N	236.355	2.502	0	1	BFAF	
COCCNc1cc(-c2ccccc2C)ncn1	4239238	LUZYHBAKNVRWTA-UHFFFAOYSA-N	243.310	2.510	0	1	BFAF	
CCCCC[C@@H]1C[C@H]1COC(=O)[C@H](O)CC	95572707	WEJJUODLRSHPCS-GRYCIOLGSA-N	228.332	2.517	0	1	BFAF	
COc1ccc(C2NC3=C(CCCC3)N2)cc1	102933914	PAQGIZGFCHCPHJ-UHFFFAOYSA-N	230.311	2.672	0	1	BFAF	
CC(C)OC(=O)NCSc1ccccc1	103286374	OEGOMCBUXNARNZ-UHFFFAOYSA-N	225.313	2.871	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@@H]3[C@@H]4C[C@@H]5[C@H]3C[C@H]2[C@@H]5[C@]41C	169373092	LRNABWCLYGWJSN-HUGCRXTKSA-N	231.383	2.913	0	1	BFAF	
Cc1ccc(/C=C/c2cc(O)cc(O)n2)o1	1857772328	DZZOAHIHSOCZMO-HWKANZROSA-N	217.224	2.565	0	1	BFAF	
CC(C)c1cc(/C=C2\CN3CCC2CC3)on1	6806	KNTVWSMZSGTCJQ-KPKJPENVSA-N	232.327	2.907	0	1	BFAF	
O=C(NCc1ccco1)[C@@H]1[C@H]2CCCCC=C[C@@H]21	4664183	ZZYJXLSLHDDCAV-IHRRRGAJSA-N	245.322	2.888	0	1	BFAF	
CCCN1CC[C@H]2Cc3c(O)cccc3C[C@H]21	13826911	DYVLYWKEJHHXOH-GXTWGEPZSA-N	231.339	2.591	0	1	BFAF	
NC1=N[C@@H](c2cccc(F)c2)Cc2ccccc21	25975153	KLWZVSPGLUAFIN-CQSZACIVSA-N	240.281	2.828	0	1	BFAF	
COc1cccc2c1[C@@H](c1ccco1)OC2=O	29317810	HDVFCIQREPTTDQ-GFCCVEGCSA-N	230.219	2.548	0	1	BFAF	
CCN(CC)[C@@H]1CCc2c(F)ccc(O)c2C1	64540620	DRFQPBPHRPRDLF-SNVBAGLBSA-N	237.318	2.730	0	1	BFAF	
C/C(CO)=C1/CC[C@@]2(C)[C@@H]3[C@H]1[C@H]2CC[C@]3(C)O	104373010	VCKNBYBUMOAFMV-ZMCFQTTISA-N	236.355	2.502	0	1	BFAF	in-man
CC(C)=CCc1c(O)c2ccccc2n(C)c1=O	104690189	IUFHMUKVSVWRSL-UHFFFAOYSA-N	243.306	2.753	0	1	BFAF	
OCCC(c1ccc(O)cc1)c1ccc(O)cc1	169124246	ZBCPVHBHAIZOPO-UHFFFAOYSA-N	244.290	2.612	0	1	BFAF	
CCS[C@@H](C)C(=O)c1ccc(O)c(OC)c1	238751832	BULIKKKSPCTPQM-QMMMGPOBSA-N	240.324	2.725	0	1	BFAF	
O=C(CCCCc1ccccc1)n1cccn1	299831647	KADIPRNMTOAOEM-UHFFFAOYSA-N	228.295	2.936	0	1	BFAF	
c1ccc2cc([C@@H]3[N@@]4CCC[N@@]34)ccc2c1	1857622292	OZXRPFRWXFYYMZ-PHZGNYQRSA-N	210.280	2.775	0	1	BFAF	
CO[C@@]12OC(=O)C=C1CC[C@H]1CC[C@H]2C=C1C	2356589206	UDEJAYYMTABHKD-SUNKGSAMSA-N	234.295	2.579	0	1	BFAF	
Nc1cc(O)ccc1/C=C/c1ccc(O)cc1	38218878	ODLRWZBETUNMBI-DAFODLJHSA-N	227.263	2.850	0	1	BFAF	
Cc1cccc(-c2cnn3c(O)cc(C)nc23)c1	100955025	MHTZEKZPSLRCKG-UHFFFAOYSA-N	239.278	2.719	0	1	BFAF	
N=C(NO)c1cccc(/C=C/c2ccncc2)c1	1772586245	KNVODBVXCBGTLS-SNAWJCMRSA-N	239.278	2.556	0	1	BFAF	
CCC=C1C[C@H]2CNc3ccccc3C(=O)N2C1	2356693635	MGYWULAVXWGTIC-LBPRGKRZSA-N	242.322	2.663	0	1	BFAF	
CC1(C)C[C@@H](O)[C@]23CCC(=O)[C@@](C)(CC[C@@H]12)C3	2356775680	PPXUZWLSHJRKOK-FDEJFUCISA-N	236.355	2.933	0	1	BFAF	
C[C@H]1C[C@H]2Cc3ncccc3[C@@]3(C1)NCCC[C@@H]23	967577	JJPMUZRSJKMFRK-QCQGSNGOSA-N	242.366	2.879	0	1	BFAF	biogenic
CCN1CCC[C@@H]2c3cc(O)ccc3CC[C@@H]21	26291923	SVIIYVRLTJRIIR-HIFRSBDPSA-N	231.339	2.906	0	1	BFAF	
COc1c2occc2c(OC)c2c(=O)ccoc12	29405213	NXQIHFAUMFVSSP-UHFFFAOYSA-N	246.218	2.556	0	1	BFAF	
C[C@H]1C(=O)C[C@@H]2[C@H]3[C@H]1[C@]2(C)CCC(=O)C3(C)C	100775949	PZYLIQGFDJFRCZ-JUINOQSQSA-N	234.339	2.853	0	1	BFAF	endogenous,in-man
COc1cc(F)c(Cl)cc1[C@@H]1C[C@@H]1CN	653709030	MBTSGERRNMKXCZ-RNFRBKRXSA-N	229.682	2.550	0	1	BFAF	
CCCC=C1OC(=O)c2c(O)cccc21	2356387528	XLFDJKJEYMKLJX-UHFFFAOYSA-N	204.225	2.704	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H]2CCC(=O)[C@H](C(C)C)[C@H]21	2356651110	CAZUDQZWTAQDDH-XWUBHJNHSA-N	222.328	2.853	0	1	BFAF	
CC(CO)=C1CC(C)(C)C[C@@H]2[C@@H](CO)CC[C@@H]12	2356720310	WPLVJXWIOYJHTM-MBNYWOFBSA-N	238.371	2.750	0	1	BFAF	
CC1(C)[C@@H](O)CC[C@]1(C)C1=CCC(CO)=CC1	2356806011	ZYWZWHQVYVGXQE-DZGCQCFKSA-N	236.355	2.813	0	1	BFAF	
C[C@H](O)C[C@@H]1CCC[C@@H]2C[C@H](C)C[C@@H](C)N12	2356812265	BJAAYFAOLGNUCH-RGDJUOJXSA-N	225.376	2.799	0	1	BFAF	
N[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@]1(O)c1ccccc1	104152082	QPSHWOZTWDCKIJ-XNISGKROSA-N	245.366	2.802	0	3	BFAF	
CC(C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C	5808232	FYOLDOBRYADSOQ-ZYHUDNBSSA-N	247.294	2.751	0	1	BFAF	
Nc1cccc(CCc2ccc3cc[nH]c3c2)n1	11525586	OSHSZKRWKLQZBV-UHFFFAOYSA-N	237.306	2.930	0	1	BFAF	in-vivo
N=C(N)N1Cc2cccc3c(Cl)ccc(c23)C1	27764063	BPTUMLOQGDUOMY-UHFFFAOYSA-N	245.713	2.702	0	1	BFAF	
CC1=C[C@@H]2C[C@]3(O)OC(=O)C=C3C(C)(C)[C@H]2CC1	40918816	FGUPQPDMAULLNU-ZETOZRRWSA-N	248.322	2.561	0	1	BFAF	
c1ccc(COc2cc3n(n2)CCCC3)cc1	96911204	FOMWLSGCCPABID-UHFFFAOYSA-N	228.295	2.798	0	1	BFAF	
Cc1nc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2cc[nH]c2n1	101348982	LJOYPUGKYGHJAF-CKYFFXLPSA-N	242.326	2.867	0	1	BFAF	
CCCc1c(C)nn(-c2nc(C)cc(C)n2)c1C	103170913	VGWIHERGCVXTBM-UHFFFAOYSA-N	244.342	2.848	0	1	BFAF	
CC[C@H](CCn1cncn1)c1ccccc1	103212795	YRAYCMUIHGZPKZ-GFCCVEGCSA-N	215.300	2.862	0	1	BFAF	
CCCCCn1nnc2c([N+](=O)[O-])cccc21	146780846	XAJWPGHBXBAHET-UHFFFAOYSA-N	234.259	2.530	0	1	BFAF	
NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF	299853391	JTPWNGVIUSRWDW-SCZZXKLOSA-N	243.709	2.751	0	1	BFAF	
COc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1C	586885627	CHYJQHPICJBNRZ-CQSZACIVSA-N	248.326	2.743	0	1	BFAF	
Cc1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2n1	587198520	ICIOUGBZPMULFC-NSHDSACASA-N	232.331	2.525	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1C[C@@H]1C)O2	587405883	NYXBPELMXGRDPA-IGJMFERPSA-N	231.295	2.567	0	1	BFAF	
CCCCCc1cn(CC=C(C)C)nn1	1857764821	KEFMFAHDYLYNSZ-UHFFFAOYSA-N	207.321	2.977	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@H](C)[C@]2(O)CC1	2356326152	URSADROJPOUESD-VYDRJRHOSA-N	238.371	2.747	0	1	BFAF	
O=C(O)CCCCCCCC=CCCO	2356479713	AWMQDOYIFAMZEM-UHFFFAOYSA-N	214.305	2.740	0	1	BFAF	
CC[C@@]1(Cc2ccccc2)CCCCNC1=O	13760782	XZLNTMRCJUOINE-HNNXBMFYSA-N	231.339	2.926	0	1	BFAF	
CC1=C2[C@@H](O)C(C)(C)C[C@@H]2[C@@H](C)CC[C@H]1CO	14769129	XFJROLBQWOPDSD-PQFRYHKHSA-N	238.371	2.748	0	1	BFAF	biogenic
Cc1ccc([C@@]23C[C@@H]2CN(CC2CC2)C3)cc1	27552021	AAZHRZKYPZLHSR-CVEARBPZSA-N	227.351	2.978	0	1	BFAF	
CNC(=O)Oc1cccc(CC(C)C)c1	84652234	MFANTLDHYQORSK-UHFFFAOYSA-N	207.273	2.603	0	1	BFAF	
CC(=O)c1cccc(CCCCC(=O)O)c1	95099489	IFCLUWFWCUYKHK-UHFFFAOYSA-N	220.268	2.687	0	1	BFAF	biogenic,in-vitro
C[C@H](SC[C@H]1CC[C@@H]2C[C@@H]1C2(C)C)C(N)=O	102953589	NKUFVXRKKRVOQA-ZDCRXTMVSA-N	241.400	2.666	0	1	BFAF	
CCC[C@H](c1nc2cc[nH]c(=N)c2[nH]1)C(C)C	587954959	CZJOOJWONJIFRD-VIFPVBQESA-N	232.331	2.910	0	1	BFAF	
CCOC(=O)[C@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	1772597672	MOGRTXHBIPWFGN-ZGIVBDMPSA-N	208.301	2.622	0	1	BFAF	
COC(=O)CC=C1c2ccccc2[C@@H](OC)[C@@H]1C	1857623105	BAHWNFBCNAWEMW-BMIGLBTASA-N	246.306	2.970	0	1	BFAF	
C[C@@H]1CC(=O)[C@]23[C@H]1CC[C@@]2(C)C=C(C(=O)O)[C@@H]3C	6030673	LFKSRWRSZVCLFJ-VDHTUSMASA-N	248.322	2.659	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@H](C)[C@@H]2C[C@@H]1O	14444986	PWTGCBCZHGUOFW-BQUFFADESA-N	234.339	2.875	0	1	BFAF	biogenic
Nc1[nH]nc2cccc(-c3ccc(F)cc3)c12	63539238	QFHRPRDSAHFZEG-UHFFFAOYSA-N	227.242	2.951	0	1	BFAF	
CCN(CC)c1[nH]cnc2c3ccccc3nc1-2	100640889	FXGSOEWUHIEGQO-UHFFFAOYSA-N	240.310	2.909	0	1	BFAF	
COCCc1c(C)nc2cccc3c2c1CC3	587212222	QSFDKVBAJGHKHD-UHFFFAOYSA-N	227.307	2.831	0	1	BFAF	
Cc1c2c(cc3c1C(=O)COC3)CC(C)(C)C2	2356307154	ZFFZICIDYWDFFP-UHFFFAOYSA-N	230.307	2.833	0	1	BFAF	
CC1=C[C@H](O)[C@H](O)C(C)=C[C@H]2[C@H](CC1)C2(C)C	2356614090	HMLUAIQJVMUHKN-XDQVBPFNSA-N	236.355	2.667	0	1	BFAF	
C=C(C(=O)O)[C@@H]1CC=C2C=CC(=O)[C@H](C)[C@]2(C)C1	14619327	KTKOWEBCLFIZQD-RWSFTLGLSA-N	246.306	2.745	0	1	BFAF	biogenic
COc1cc(OC)c2c(c1C)O[C@@H](C)C=C2	15119473	DPYKMCRUNZFSLD-QMMMGPOBSA-N	220.268	2.806	0	1	BFAF	biogenic
O=C(/C=C1\CCc2cc(F)c(F)cc21)NC1CC1	27406300	SBGTVGWDXBFINE-RMKNXTFCSA-N	249.260	2.573	0	1	BFAF	
C[C@H]1CC[C@@]2(O1)[C@@H](C)C(=O)CCC2(C)C	31350865	UGLUSFJDQNOYMH-OUJBWJOFSA-N	210.317	2.949	0	1	BFAF	
CC1=C2C[C@]3(C)[C@@H](C)CC[C@@H]4O[C@@]43C[C@H]2OC1=O	35066394	STNOVCSCDYMEBT-JCEYZCGSSA-N	248.322	2.596	0	1	BFAF	
CCC[C@@H](O)c1cc2ccccc2c(=O)o1	40828803	XODVUDQURWYFNW-LLVKDONJSA-N	218.252	2.627	0	1	BFAF	
CO[C@H]1C=C[C@@H]2[C@@H]3[C@H]4CCC[C@]3(C)[C@](C)(C4)[C@@]12O	85545623	RVTBEMIQJSHHIE-DWTGPMEZSA-N	248.366	2.765	0	1	BFAF	biogenic,in-vitro
Cc1cc(OC(=S)N(C)C)ccc1Cl	103173344	WLRGHPLWXHMSLD-UHFFFAOYSA-N	229.732	2.874	0	1	BFAF	
CC(C)=C[C@@H]1NCCc2c(C)ccnc21	963074797	YDAJARGLKLDWFD-LBPRGKRZSA-N	202.301	2.543	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CCC(CO)=C[C@@H]12	2356511783	IDZQOYPXKXBZAG-XQLPTFJDSA-N	238.371	2.748	0	1	BFAF	
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)C=COC=C(C)[C@H]21	14713445	CHJVABAWMKQXSI-BHPKHCPMSA-N	246.306	2.948	0	1	BFAF	biogenic
COCc1ccc(Oc2cccc(F)n2)c(O)c1	95572814	OTPGEVOSCNPHJH-UHFFFAOYSA-N	249.241	2.865	0	1	BFAF	
CC1(C)[C@@H]2CC[C@]3(C)C(=O)CCC(=O)[C@H]3[C@@H]21	238743165	FKOKHQSDRFQWNI-PKINLEFWSA-N	220.312	2.607	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccnc(OC)c2[nH]1	586893840	YYBVAAQOEPNNGG-OQPBUACISA-N	231.299	2.870	0	1	BFAF	
N=C(N)Nc1cccc(-c2ccccc2Cl)n1	1857748297	GURDGZWXQAVSAK-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
CC1=CN(Cc2ccccc2C)[C](N)C=C1	2356840865	XDCVSSQHTMEPEI-UHFFFAOYSA-N	213.304	2.719	0	1	BFAF	
CC1=C[C@@H]2CC=C(C(=O)O)[C@@H]2[C@@H](CC(C)C)C1=O	14883255	PAAFIIOBYWWYMS-CYZMBNFOSA-N	248.322	2.825	0	1	BFAF	biogenic
CCSc1n[nH]c2c3cc(C)ccc3nc-2n1	104090023	VUSNFCFHBBOEPA-UHFFFAOYSA-N	244.323	2.878	0	1	BFAF	
FC(F)(F)c1cccc2c1nnn2CC1CC1	205853226	ZLNSGYSEJVMKQS-UHFFFAOYSA-N	241.216	2.860	0	1	BFAF	
CC1=C[C@H](O)CC(C)(C)[C@H]1CC[C@H](C)O	238732075	QKABGCVKXNSYJM-SRVKXCTJSA-N	212.333	2.501	0	1	BFAF	
Cc1cc(F)c2[nH]c([C@](C)(O)C(C)C)nc2c1	586891127	STZJJWJJBNIDOZ-CYBMUJFWSA-N	236.290	2.874	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(OC)nc2[nH]1	586893342	XJBGEEZAPDLOFV-SDBXPKJASA-N	231.299	2.870	0	1	BFAF	
CC(C)c1cccc(N2CC[C@H](C(=O)O)C2)c1	1911586102	RSAMYDYPMMPBTI-LBPRGKRZSA-N	233.311	2.721	0	1	BFAF	
COc1cc2c(cc1OC)[C@@H]1CCCN1C=C2	2356810642	AZXHNUOCOBOLST-LBPRGKRZSA-N	231.295	2.825	0	1	BFAF	
CC=CCCc1cc(O)c2c(c1)O[C@@H](C)[C@H]2CO	2356872850	ZBSDHRYEWAUMGA-CMPLNLGQSA-N	248.322	2.758	0	1	BFAF	
CN[C@]12CCCC[C@H]1C[C@H](O)c1ccccc12	13831989	JJMXINCNBCMRDO-TUKIKUTGSA-N	231.339	2.729	0	1	BFAF	
C[C@@H]1C(=O)C[C@H]2[C@H]3[C@@H]1[C@@]2(C)CCC(=O)C3(C)C	104357490	PZYLIQGFDJFRCZ-UODPKLMKSA-N	234.339	2.853	0	1	BFAF	in-man
CCOC(=O)[C@@H](C)[C@H](O)c1ccccc1Cl	299828135	GXYPYZDAMQRICZ-KWQFWETISA-N	242.702	2.573	0	1	BFAF	
N=C1NCc2c(cccc2-c2ccccc2)N1	1857632864	QVMCWOSADNKSHE-UHFFFAOYSA-N	223.279	2.803	0	1	BFAF	
C[C@H](N)Cn1ccc2ccc3cnccc3c21	25579	DBBQAOGBHMWNBA-JTQLQIEISA-N	225.295	2.537	0	1	BFAF	
CCN(c1ncnc2[nH]cnc12)C1CCCCC1	4032442	KJRPPSHXVVOZLZ-UHFFFAOYSA-N	245.330	2.512	0	1	BFAF	
O=C(c1ccc(OCc2c[nH]cn2)cc1)C1CC1	26468755	VZLLYQNSHVZCAP-UHFFFAOYSA-N	242.278	2.581	0	1	BFAF	
CC(=O)OC/C(=C\Cl)c1ccc(C)cc1O	238760511	ZMSKVGSNZITQQL-UXBLZVDNSA-N	240.686	2.843	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2cc(C)cnc2[nH]1	586914953	ZXPIYWYVMXUVNE-ZYHUDNBSSA-N	245.326	2.939	0	1	BFAF	
C=CC(=O)NCCc1c[nH]c2cccc(Cl)c12	618016980	DBPGDNHYTIFKRK-UHFFFAOYSA-N	248.713	2.666	0	1	BFAF	
CC1=CCC[C@@H]2[C@@H]1[C@@](C)(CO)CCC[C@]2(C)O	2356577466	FFRRKJRZQUGBSK-TUVASFSCSA-N	238.371	2.892	0	1	BFAF	
CC=CC=C[C@]1(C)Cc2cc(O)cc(O)c2O1	2356610365	ZFYPJFBTPOWNFW-CQSZACIVSA-N	232.279	2.924	0	1	BFAF	
CN1CCC[C@@H]1c1cc2ncccc2o1	4628562	BJFLPKJLIFUESE-SNVBAGLBSA-N	202.257	2.595	0	1	BFAF	
CCOC(=O)/C=C\n1ccc2ccccc21	34181288	YCQGMCNAIHRQGF-NTMALXAHSA-N	215.252	2.675	0	1	BFAF	
C[C@H]1CCC[C@H]2Cc3ccccc3[C@]12N	36294401	SEIXOAIDAGGEFF-JKOKRWQUSA-N	201.313	2.833	0	1	BFAF	
C[C@H](NC(C)(C)C)C(=O)c1cc(F)cc(F)c1	45289808	CXFKXPAAWKFBPJ-QMMMGPOBSA-N	241.281	2.924	0	1	BFAF	in-vivo
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1O)CO	101558594	HXGLSGRFISFKKO-HMANRWDHSA-N	238.371	2.892	0	1	BFAF	
CCn1[nH]cc2nc(-c3ccc(F)cc3)nc1-2	103597996	KGRZLGTTXIWSGB-UHFFFAOYSA-N	230.246	2.537	0	1	BFAF	
Cc1ccccc1NCc1ccc2nn[nH]c2c1	474605016	FSIWKRTXPHVVOQ-UHFFFAOYSA-N	238.294	2.878	0	1	BFAF	
CCCC/C=C/c1nc2cc[nH]c(=N)c2[nH]1	587965836	PUENBMSHZDMORP-AATRIKPKSA-N	216.288	2.574	0	1	BFAF	
COP(=O)(CCCC/C=C(\C)CO)OC	1857591062	FHRMLYKLEUJPLI-JXMROGBWSA-N	236.248	2.581	0	1	BFAF	
CN(C)[C@@H]1CC12C1CC3CC(C1)CC2C3	3637401	ZYIWGNOFGYPVSI-RVARXAPGSA-N	205.345	2.763	0	1	BFAF	
CC[C@H](C)[C@H](C[C@H](C(=O)O)[C@H](C)CC)C(=O)O	13378314	ANMSHEPZNSIGRK-VLEAKVRGSA-N	244.331	2.870	0	1	BFAF	biogenic
CCCCCc1cc(=O)c2ccccc2n1O	28643011	DOLOBFAZQOPPDU-UHFFFAOYSA-N	231.295	2.972	0	1	BFAF	
Clc1cc(Cl)c([C@]23CNC[C@H]2C3)s1	40848200	CSGVNYGGRSSQOB-MLUIRONXSA-N	234.151	2.916	0	1	BFAF	
C[C@@H]1C2=CC(=O)OC2=C[C@@]2(C)[C@H](C)CC(=O)[C@@]12C	238767722	HKNJJLPZSUGXIH-NRYLCXMISA-N	246.306	2.625	0	1	BFAF	
COc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1C	586885618	CHYJQHPICJBNRZ-AWEZNQCLSA-N	248.326	2.743	0	1	BFAF	
CC(=CCO)[C@H]1C=C2C(=CC[C@@H](O)C2(C)C)CC1	2356325562	YOAXHSPUOPMCPG-UKRRQHHQSA-N	248.366	2.979	0	1	BFAF	
CC(=O)c1ccc2c(c1)OC(C)(C)CC2=O	2356340831	ZBQWMRJUOVGMTE-UHFFFAOYSA-N	218.252	2.633	0	1	BFAF	
COc1cccc2c(O)c3c(nc12)OC(C)(C)C3	345761	CYXJXCFNCCXUDN-UHFFFAOYSA-N	245.278	2.663	0	3	BFAF	
Cc1ccc2c(c1)C(=S)NC(C)(C)C2	4127166	DCXRBUZDJISAMG-UHFFFAOYSA-N	205.326	2.595	0	1	BFAF	
CC[C@H](C)[C@H](C[C@@H](C(=O)O)[C@@H](C)CC)C(=O)O	13378313	ANMSHEPZNSIGRK-XWLWVQCSSA-N	244.331	2.870	0	1	BFAF	biogenic
CC1=C2[C@@H]3[C@H](CC[C@@H](C)[C@]2(O)CC1=O)C3(C)C	14443087	ZBZKCPGSZOLGGP-XGUWZRRLSA-N	234.339	2.709	0	1	BFAF	biogenic
Nc1ccc(C(=O)Oc2cncc(Cl)c2)cc1	40827734	UJQMJUJPZQNXQD-UHFFFAOYSA-N	248.669	2.536	0	1	BFAF	
Cc1ccncc1/N=c1\ssnc1Cl	59064069	FNBMOGFHMKPSFP-FLIBITNWSA-N	243.744	2.794	0	1	BFAF	
Clc1ncnc2nc(C3=CCCC3)[nH]c12	165598400	FPZMNHBDPASGEC-UHFFFAOYSA-N	220.663	2.574	0	1	BFAF	
Cc1ccc2nc([C@@H]3O[C@H]3C)[nH]c2c1C	586916880	HXSFEXXOTYYEIB-GZMMTYOYSA-N	202.257	2.640	0	1	BFAF	
Oc1nnc(-c2nccs2)c2sccc12	1857752347	AUQHNAQGJBULMA-UHFFFAOYSA-N	235.293	2.520	0	1	BFAF	
C=CC=Cc1cc(OC)c(OC)cc1OC	2356611409	WACVTIABRPEUPH-UHFFFAOYSA-N	220.268	2.912	0	1	BFAF	
Cc1cccc2nc(NC3CCCC3)oc(=O)c12	27548069	JXEKABDPWFPBMM-UHFFFAOYSA-N	244.294	2.851	0	1	BFAF	
CN1C(=O)CC[C@]2(C)c3ccc(F)cc3CC[C@@H]12	40503786	RCEBVKVYLHBTNY-UKRRQHHQSA-N	247.313	2.650	0	1	BFAF	
Clc1cc2c(cn1)[C@H]1[C@@H]3CC[C@@H](N3)[C@@H]1CC2	140779274	HYHQVGSPVWWXJX-UKKREREHSA-N	234.730	2.515	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CCC[C@H](O)[C@H]21	253700208	JPZCKUFDKXCMRK-RCBQFDQVSA-N	246.374	2.575	0	1	BFAF	
CC(C)(Cl)c1nc2cccc(C(=O)O)c2[nH]1	587008153	KVOUBSKPSXTJDT-UHFFFAOYSA-N	238.674	2.735	0	1	BFAF	
Cc1cc(-c2c(C)cccc2O)oc1C(=O)O	2356791036	GIBDYAJVLGFVLZ-UHFFFAOYSA-N	232.235	2.967	0	1	BFAF	
COc1ccccc1[C@H]1[C@@H](CN)[C@H]2CC[C@@H]1C2	27993725	TWQYJZHCEIXHSD-WJNVRWDZSA-N	231.339	2.784	0	1	BFAF	
CN(C)C[C@@H]1C[C@H]1c1cncc2ccccc12	28960184	LOCUTCDCZZSFNM-GXTWGEPZSA-N	226.323	2.900	0	1	BFAF	
O=C(Cc1ccccc1)C[C@H](O)c1ccccc1	40835202	MHWPULQIWQNQML-INIZCTEOSA-N	240.302	2.922	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1[C@@H]1C[C@]1(C)[C@@H](O)CC[C@]2(C)O	100780707	USFOCJBPTUMHRF-JWAKXMNJSA-N	238.371	2.581	0	1	BFAF	endogenous,in-man
CC1(C)C[C@H]2[C@H]1[C@@H]1C[C@]1(C)[C@@H](O)CC[C@]2(C)O	238749788	USFOCJBPTUMHRF-LOVAHEPDSA-N	238.371	2.581	0	1	BFAF	
NC(=S)c1cccc(-c2ccccc2O)c1	1857621140	UOQRFNWFJUJVPK-UHFFFAOYSA-N	229.304	2.693	0	1	BFAF	
Cc1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[S@@](=O)N2	13135537	SNZUAMJDPKNTCJ-JZHILDEPSA-N	247.363	2.966	0	1	BFAF	
COCc1cc2cc3ccc(=O)oc3cc2o1	64548678	AUTPTHCOJYPJSM-UHFFFAOYSA-N	230.219	2.686	0	1	BFAF	
Cc1cc2nc(CC3CC3)[nH]c2cc1F	587959882	ROBLLAZXFDONTO-UHFFFAOYSA-N	204.248	2.963	0	1	BFAF	
C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(N)=O	653741277	XKVXTRGRGCVRLZ-CMDGGOBGSA-N	245.253	2.974	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@H]2[C@H]([C@@H](C)C[C@H]2O)[C@H]1O	2356557161	BUEONAAYGVOTFR-NDZBRYDHSA-N	240.387	2.683	0	1	BFAF	
c1coc(-c2ccc(Cn3ccnc3)cn2)c1	84618241	KXXPEQYOMQDBDO-UHFFFAOYSA-N	225.251	2.586	0	1	BFAF	
c1cnc2ccc3nc([C@H]4CCOC4)[nH]c3c2c1	586912467	SMGUDQQBXXCMRB-VIFPVBQESA-N	239.278	2.615	0	1	BFAF	
Cc1c(CCC(=O)O)nc2cccc3c2c1CC3	587215941	XDPBRCRWSDPTCF-UHFFFAOYSA-N	241.290	2.659	0	1	BFAF	
COC(=O)c1ccc2nc(C=C3CCC3)[nH]c2c1	587965476	UFOVCQKREQLLIK-UHFFFAOYSA-N	242.278	2.917	0	1	BFAF	
C[C@@H](C(N)=O)c1ccc(-c2ccccc2)cc1	13589342	SBTKAQUIGOHIDJ-LLVKDONJSA-N	225.291	2.942	0	1	BFAF	
COc1cccc([C@@]23CCC[C@@H](C2)N[C@H]3C)c1	33828321	VHLAYLGSPSIKOJ-WHOFXGATSA-N	231.339	2.867	0	1	BFAF	
Cc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1	84689038	LSIHYXGBAHHPTI-UHFFFAOYSA-N	236.278	2.842	0	1	BFAF	
COc1ccc(N(C)c2cc(C)nc(C)n2)cc1	149177458	JHMYDRSVFYCTQO-UHFFFAOYSA-N	243.310	2.870	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1C[C@H](O)CC[C@@H]21	169369699	JBJOLGADJZFNKD-MGPQQGTHSA-N	246.374	2.575	0	1	BFAF	
CCc1ccc2nc(-c3csc(O)n3)[nH]c2c1	587017599	MJNBEGYPEWYHNA-UHFFFAOYSA-N	245.307	2.954	0	1	BFAF	
CN(C)/C=C/c1cc2c3c(cccc3n1)CC2	587212118	CUTYWKQCTXWLDL-CMDGGOBGSA-N	224.307	2.866	0	1	BFAF	
Cc1coc2c1C(=O)[C@@]1(C)[C@H](C2)[C@@H](O)CC[C@H]1C	2356469134	AWXFUOOEZGQLHT-YYHMBLRTSA-N	248.322	2.740	0	1	BFAF	
C[C@@H]1[C@@]2(C)CC[C@@H]3[C@H]2CC[C@@]1(C)O[C@@]3(C)O	6031904	KWEHQSJHTLFZSW-FAYOZSNISA-N	224.344	2.946	0	1	BFAF	
CCCOc1nc2sc(C)c(C)c2c(=O)o1	13779494	ZJAFVMZVKHJWBU-UHFFFAOYSA-N	239.296	2.655	0	1	BFAF	
CC(=O)CCC(=O)[C@@]1(C)CCCC(C)(C)C1=O	14494227	DBKNAIYCSLWFQM-CQSZACIVSA-N	238.327	2.710	0	1	BFAF	biogenic
CC1=C[C@@H]2C[C@@]3(O)OC(=O)C=C3C(C)(C)[C@@H]2CC1	15222204	FGUPQPDMAULLNU-UEKVPHQBSA-N	248.322	2.561	0	1	BFAF	biogenic
Clc1cc2c(cn1)[C@@H]1[C@H](CC2)[C@@H]2CC[C@H]1N2	28007356	HYHQVGSPVWWXJX-QTFBWGAVSA-N	234.730	2.515	0	1	BFAF	
N#Cc1ccc(CCc2ccccn2)cc1	201032224	GSXSSHNSAIVMGG-UHFFFAOYSA-N	208.264	2.738	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@](C)(O)[C@@H]2CC1	2356507976	NABFWTUELQMMDP-QRTUWBSPSA-N	238.371	2.747	0	1	BFAF	
Cc1ccc([C@H](C)O)cc2c(C=O)ccc1-2	2356842281	MMOCNRWMQYLWLE-JTQLQIEISA-N	214.264	2.966	0	1	BFAF	
CC1(C)C[C@@]23C(=O)CC[C@@H](O)[C@@]2(C)CC[C@@H]13	3978577	UHRWOVVMQAASAO-GZZJDILISA-N	222.328	2.543	0	3	BFAF	in-vitro
O=C1CCC[C@@H]2c3[nH]c4ccccc4c3CCN12	1585420	RAWPBTDNWLONTE-CYBMUJFWSA-N	240.306	2.778	0	1	BFAF	biogenic
C[C@@]1(CF)SCc2nc3ccccc3n21	5503497	FTUMZDSGDPCRTF-NSHDSACASA-N	222.288	2.925	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CC[C@H]1O	5741651	SFJOMLIUSIKKRA-MYYUVRNCSA-N	238.371	2.725	0	1	BFAF	
CC1(C)CCC[C@]1(C)[C@H]1C=C[C@](C)(O)[C@H](O)C1	14948218	ARHSYZHJIIRPIL-MXYBEHONSA-N	238.371	2.891	0	1	BFAF	biogenic
CC(C)N[C@H]1CCCC[C@H]2c3ccccc3[C@@]12O	17220262	JYLTYLGMYCSVSD-JYJNAYRXSA-N	245.366	2.912	0	1	BFAF	
CC1(C)C[C@@H](O)[C@]23CC[C@H](O)[C@](C)(CC[C@H]12)C3	238758165	BWXJQHJHGMZLBT-OGMFBOKVSA-N	238.371	2.725	0	1	BFAF	
CC1=CCC[C@](C)(O)[C@@H]2C[C@H]2C(C)(C)C[C@@H]1O	2356511452	BOAGSZAUIQYYAY-CXTNEJHOSA-N	238.371	2.891	0	1	BFAF	
CC1=C[C@@H]2[C@H](CC1)[C@H](C)C[C@H](O)[C@@]2(O)C(C)C	2356639667	ZGSRWTHKVMRAML-ARILJUKYSA-N	238.371	2.747	0	1	BFAF	
Cc1ccc(C)c([C@]2(O)C[C@H](C)N(C)C[C@@H]2C)c1	4474218	SPCLRIAZWZKWNU-DZKIICNBSA-N	247.382	2.851	0	3	BFAF	
CCOC(=O)c1ccc(-c2cccs2)[nH]1	1857108	HNNDTQISHZONEW-UHFFFAOYSA-N	221.281	2.920	0	1	BFAF	
COCCCCCCCCC[C@H](O)CC(=O)O	6482934	REZAAOCFOOVNID-LBPRGKRZSA-N	246.347	2.589	0	1	BFAF	
C[C@@]12N[C@@H](Cc3ccccc31)c1ccc(O)cc12	27890039	HXZMISWMKKQWQJ-JKSUJKDBSA-N	237.302	2.856	0	1	BFAF	
CC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1	35090554	IYNBYQDXVFMDGE-KGLIPLIRSA-N	217.312	2.501	0	1	BFAF	in-vivo
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2)CO	38364228	FUCSWNUANQRDFQ-MDKDYZFDSA-N	238.371	2.892	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1CC[C@]1(C)C[C@@]2(O)CCC1=O	38764698	IENXBWLABXSOLK-BVIHXZOGSA-N	236.355	2.933	0	1	BFAF	
COc1cncc(C=Cc2ccncc2)c1	1857623749	UPWCZNHPRXLPCZ-UHFFFAOYSA-N	212.252	2.656	0	1	BFAF	
C[C@@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1[C@@H]3O	2356376469	SWPQNHOZMJNCGC-CLMGUBIUSA-N	238.371	2.581	0	1	BFAF	
C[C@@H]1[C@H](O)[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)CC(=O)[C@@H]12	2356393672	PLDRVGAFDSCTJO-KHYORFNHSA-N	236.355	2.645	0	1	BFAF	
COc1ccc2c3c(ccc2c1)OC(=O)CC3	13560933	MITIQHFJBPZMLG-UHFFFAOYSA-N	228.247	2.700	0	1	BFAF	
C[C@@]1(C[C@H]2CN=CN2)CCc2ccccc2C1	13862145	FSAVOJFESJPQEK-LSDHHAIUSA-N	228.339	2.572	0	1	BFAF	
COc1cc2ccc3occc3c2oc1=O	15222040	TWFNIHHXHBZIFK-UHFFFAOYSA-N	216.192	2.548	0	1	BFAF	biogenic,in-vitro
C[N+]1=CC=N[C@@H]1/C=C/c1cccc2ccccc12	28224225	MJWPZUSBWAWVKC-SCOAYWHSSA-N	235.310	2.977	0	1	BFAF	
Cc1cnc(N2CCC[C@@H]2C)nc1NC(C)C	82201620	ODZUPAODQOPUPR-NSHDSACASA-N	234.347	2.594	0	1	BFAF	
C[C@@H]1CC[C@]2(O)[C@H](C1=O)C(C)(C)C[C@H]1C[C@]12C	231211352	ARIMXCACVHKASK-CFEZUGBKSA-N	236.355	2.789	0	1	BFAF	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2Nc1ccccn1	254110972	AJUNTFPBSOPTHR-ITDIGPHOSA-N	244.338	2.887	0	1	BFAF	
OCc1ccc(F)c(-c2nc3ccccc3[nH]2)c1	587140752	PJGAGRQCLINOLP-UHFFFAOYSA-N	242.253	2.861	0	1	BFAF	
N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccc(Cl)nc1	1857604353	NKHNTAYDCXZLFL-UFGYURQFSA-N	222.719	2.576	0	1	BFAF	
C(=Cc1ccc2nccn2n1)c1ccccc1	1857624266	GIMMCSLNUXYLSO-UHFFFAOYSA-N	221.263	2.900	0	1	BFAF	
CC1=CCCC(CO)=C[C@@H]2[C@@H](CC1)[C@]2(C)CO	2356433255	DCQFUTANYUEHLR-KFWWJZLASA-N	236.355	2.670	0	1	BFAF	
CSC=CC(=O)OCCc1ccccc1	2356459126	YMDYUZXEFIMROM-UHFFFAOYSA-N	222.309	2.649	0	1	BFAF	
CC1(C)OC[C@H]([C@H]2CC23SCCCS3)O1	5741843	GNRXWUHNGSCKQW-RKDXNWHRSA-N	246.397	2.724	0	1	BFAF	
COc1c(C(=O)O)oc2c3ccccc3n(C)c12	29393220	ZPWMFKICQTVLOU-UHFFFAOYSA-N	245.234	2.631	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1CC(=O)C[C@H]21	29480575	WRSPLSBXVYMANN-OTYXRUKQSA-N	216.280	2.704	0	1	BFAF	
Cc1cnc(N2CCCC2)nc1N[C@H](C)C(C)C	82201798	OHYULKZKRUBWAH-GFCCVEGCSA-N	248.374	2.842	0	1	BFAF	
CN1[C@@H]2C=C(c3cccnc3)C[C@@H]1CCC2	149661110	APTUPAXCDMGCCK-KBPBESRZSA-N	214.312	2.722	0	1	BFAF	
CCCC/C=C/c1nc2cc(=N)[nH]cc2[nH]1	587965972	RFXOMONWQMQRQG-AATRIKPKSA-N	216.288	2.574	0	1	BFAF	
CC(C)c1ccc([C@@H]2[N@@]3CCC[N@@]23)cc1	1857622149	CGTOAJWVPYVTAM-QKDCVEJESA-N	202.301	2.745	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)C3=CC[C@@](C)(O)[C@@H]3[C@@H]21	2356579133	QZKYEOSYHRKCOW-HTZLXXLYSA-N	236.355	2.501	0	1	BFAF	
CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@@H](N)C2	2356743040	VZERVKJEZBMQPH-OBJOEFQTSA-N	223.360	2.852	0	1	BFAF	
CC1(C)[C@@H]2C[C@](C)(O)[C@@H]3CCC[C@@](C)(O)[C@@H]3[C@@H]21	2356761347	AYOFBMBGDXCIQI-RQVRSSQJSA-N	238.371	2.581	0	1	BFAF	
C[C@@H]1C(=O)[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@]12O	6030510	YFIXPNVIFRNVFU-IUPFNGILSA-N	236.355	2.789	0	1	BFAF	biogenic
Oc1ccc(-c2noc3ccccc23)c(O)c1	12353728	JTGLWGSJTQMWBD-UHFFFAOYSA-N	227.219	2.906	0	1	BFAF	
Fc1ccc2c(c1)C=C(C[C@@H]1CN=CN1)CC2	13862061	WWUPWXOAAVDTKR-CQSZACIVSA-N	230.286	2.546	0	1	BFAF	
CC(C)=C[C@H](O)[C@@H](O)[C@@H](C)c1ccc(C)cc1	14859910	CIGQSFSQDIHCFO-QEJZJMRPSA-N	234.339	2.787	0	1	BFAF	biogenic
CCCOc1ccc(F)cc1[C@@H]1C[C@H]1CN	299853751	PHNQBSADACIRLN-GXSJLCMTSA-N	223.291	2.677	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1	586917895	XYIXROLDLNHOGW-AJAUBTJJSA-N	226.638	2.815	0	1	BFAF	
CCCCCC=C(C(=O)O)[C@@H](C)C(=O)OCC	2356827981	IRATWIMJQPGIRD-SNVBAGLBSA-N	242.315	2.777	0	1	BFAF	
Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2	13652898	LQEYAIKMIJUZNT-UHFFFAOYSA-N	248.285	2.682	0	1	BFAF	in-vivo
CCCc1cncc(OC[C@@H]2CCCN2C)c1	26571793	SCCWLILDZVYJOK-ZDUSSCGKSA-N	234.343	2.507	0	1	BFAF	
CN1CCC(NCC(F)=C2CCCCC2)CC1	28111377	CLTSFRSZSOBDED-UHFFFAOYSA-N	240.366	2.858	0	1	BFAF	
Cc1[nH]c(=O)nc2cc(Cl)c(Cl)cc12	29212556	NDHQTSKBYVRMJI-UHFFFAOYSA-N	229.066	2.538	0	1	BFAF	
C(=C/c1ccccc1)\CCNCCc1c[nH]cn1	29414057	SITVPGHFCGFCRO-XBXARRHUSA-N	241.338	2.645	0	1	BFAF	
C[C@]12CC[C@@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@@H]21	169293632	UEPGLNMUFRMDAW-NZPIUUIZSA-N	220.312	2.751	0	1	BFAF	
Fc1ccc(Cc2ncnc3[nH]ccc23)cc1	169331355	ZRBMKGYTXXLUTJ-UHFFFAOYSA-N	227.242	2.688	0	1	BFAF	
Cc1cc2nc(C3=COCC3)[nH]c2cc1C	586912680	JXGQJZURLLVYML-UHFFFAOYSA-N	214.268	2.941	0	1	BFAF	
CC[C@@H](C)c1ncc(Cc2ccccc2)[nH]c1=O	2356803283	WXBFTDAYFIQSSK-LLVKDONJSA-N	242.322	2.874	0	1	BFAF	
CC1(C)CC(=O)c2c(cc3n2CCC3)C1	205358840	KOUGBPJGSGKYDA-UHFFFAOYSA-N	203.285	2.589	0	3	BFAF	
Cn1c(=O)cc(Cl)c2ccc(Cl)cc21	269859	ZXXZJZHYSWWQOP-UHFFFAOYSA-N	228.078	2.845	0	1	BFAF	
CC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2NC1	5767586	KNXQMYAIQXBYHZ-TZMCWYRMSA-N	224.307	2.726	0	1	BFAF	biogenic
CN(C)CCCC12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2O	102250618	JMTAZGPHOXWMLV-HIKVSJJOSA-N	237.387	2.515	0	1	BFAF	
CC1(C)C[C@@H](O)[C@@]23CCC(=O)[C@@](C)(CC[C@H]12)C3	137002755	PPXUZWLSHJRKOK-WAZAZEMKSA-N	236.355	2.933	0	1	BFAF	
CN1[C@H]2CC[C@H]1[C@H](c1ccc(F)cc1)C2	253643372	BXGWCQDCHRVLAK-AVGNSLFASA-N	205.276	2.776	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1	586886511	CHSCVGOESAYACP-KGFZYKRKSA-N	236.706	2.862	0	1	BFAF	
Cc1ccc(-c2nc3c(N)ccnc3[nH]2)c(F)c1	587146786	WMHYGXWAEFBUJP-UHFFFAOYSA-N	242.257	2.655	0	1	BFAF	
Nc1ccc2c(c1)/C(=C\c1ccsc1)C(=O)N2	1772625190	BBZKAPCLEPFNBJ-VZUCSPMQSA-N	242.303	2.823	0	1	BFAF	
CCOC(=O)N(C)C(=C(F)F)C(F)(F)F	1643712	PLGZDWIMJGCHPX-UHFFFAOYSA-N	233.136	2.745	0	1	BFAF	
CC(=O)c1coc(C2=CN3CCC2CC3)c1	13766601	LRHNGSJKDFINCP-UHFFFAOYSA-N	217.268	2.549	0	1	BFAF	
CCc1cnc2cc3c(cc2c1)[C@@H]1CNC[C@H]3C1	28527967	RAGYLUOTYIODHC-QWHCGFSZSA-N	238.334	2.971	0	1	BFAF	
CC1=C2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]2(C)C(=O)CC1	33833911	RSDQBPGKMDFRHH-BILRFKGYSA-N	248.322	2.644	0	1	BFAF	
CCN(C)Cc1coc(-c2cccs2)n1	71962192	WHTCNEZSYYKSLU-UHFFFAOYSA-N	222.313	2.855	0	1	BFAF	
CN[C@@]1(C)CC12C1CC3CC(C1)CC2C3	72190047	LMLBGVHUFCZMCI-QBBLGZLKSA-N	205.345	2.811	0	1	BFAF	in-vivo
O=C(O)c1cc(F)cc2nc(C=C3CCC3)[nH]c12	587964600	DSZFVHROASNBLY-UHFFFAOYSA-N	246.241	2.968	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(CO)=C[C@@H]12	1857586772	IDZQOYPXKXBZAG-BYNSBNAKSA-N	238.371	2.748	0	1	BFAF	
FC[C@H](F)COc1ccc2[nH]ccc2c1	1857610482	QBKROKDKZQBAJT-VIFPVBQESA-N	211.211	2.854	0	1	BFAF	
C[C@@H]1[C@@H](O)CCN[C@H]1C=CC=Cc1ccccc1	2356579557	BDDSGELKWZUGTC-BPUTZDHNSA-N	243.350	2.615	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@](C)(O2)[C@H](O)[C@H]13	2356690789	KYCJKHVCYJLBJM-PKCACUDHSA-N	238.371	2.987	0	1	BFAF	
CCN(CC)[C@H]1CCc2c(cccc2OC)C1	13759794	YGHHMTVTTJJSQZ-ZDUSSCGKSA-N	233.355	2.894	0	1	BFAF	
C[C@H](c1csc2ccccc12)N(O)C(N)=O	13762715	AMMPGBYIKIGTPN-SSDOTTSWSA-N	236.296	2.732	0	1	BFAF	
Cc1nc(Nc2ccc(O)cc2)c2cc[nH]c2n1	27980692	MNSITFHZZPOVSC-UHFFFAOYSA-N	240.266	2.716	0	1	BFAF	
C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2C	33756379	UPIJLTVYDZRYJT-NILFDRSVSA-N	215.340	2.841	0	1	BFAF	
C[C@@H]1Cc2nc3cc4[nH]ncc4cc3nc2[C@@H]1C	64448536	HOVDTOOFGJIJAJ-HTQZYQBOSA-N	238.294	2.802	0	1	BFAF	
CC(C)(C)NCC1=CC(C)(C)N([O])C1(C)C	101978256	KNAQOOTYKNMYSB-UHFFFAOYSA-N	225.356	2.519	0	1	BFAF	
CCN1c2ccccc2C(=O)N2CCCCC[C@H]21	103201997	UGIDQSDOFATFQO-AWEZNQCLSA-N	244.338	2.869	0	1	BFAF	
O=C(O)/C(S)=C/c1c[nH]c2cc(F)ccc12	169325404	WRHHYODNWSJABU-KMKOMSMNSA-N	237.255	2.662	0	1	BFAF	
C[C@H]1[C@H]2Cc3ccccc3[C@@]1(C)CCN2C	169339754	UPIJLTVYDZRYJT-GLQYFDAESA-N	215.340	2.841	0	1	BFAF	
Fc1cnc2[nH]c(C3=CCCC3)nc2c1	586882774	BLEJASOAJPVMQF-UHFFFAOYSA-N	203.220	2.664	0	1	BFAF	
CCC1(CC)NC(=S)N(C2CCCCC2)N1	1772576454	XZSASKRWYWLXAZ-UHFFFAOYSA-N	241.404	2.530	0	1	BFAF	
O=C(O)CCC(=O)CC=CCc1ccccc1	2356865209	WAUSLDMUJCKLHW-UHFFFAOYSA-N	232.279	2.609	0	1	BFAF	
c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1	29131071	LWADKIHYDIYKDX-UHFFFAOYSA-N	235.290	2.993	0	1	BFAF	
C=C(Br)C(=O)Nc1ccc(F)cc1	29234727	PLSKCNVQVCIDOY-UHFFFAOYSA-N	244.063	2.673	0	1	BFAF	
O=S1C=C(Br)c2ccccc21	45347446	YTVZKVHWKLMFEG-UHFFFAOYSA-N	229.098	2.501	0	1	BFAF	
C[C@@]12N[C@H](Cc3ccccc31)C1=CC=CC[C@@H]12	100659907	USXOTRZXKQMLJY-ARFHVFGLSA-N	223.319	2.932	0	1	BFAF	
CC1(C)C=Cc2cc(C=CC(=O)O)ccc2O1	2356616842	IHRUERBZEZCICE-UHFFFAOYSA-N	230.263	2.969	0	1	BFAF	
CCOC(=O)Nc1cc(=O)c2cc(C)ccc2o1	271196	JZVVDEPOBOJGDQ-UHFFFAOYSA-N	247.250	2.670	0	1	BFAF	
Cc1oc2ccc3c(C)cc(=O)oc3c2c1CN	6069649	LNTKAMRXEIKMSJ-UHFFFAOYSA-N	243.262	2.615	0	1	BFAF	
CCC(CC)NC[C@H]1CCc2ccc(O)cc2O1	13775952	DXGWEOVPJQPZFA-CQSZACIVSA-N	249.354	2.864	0	1	BFAF	
COc1c(O)cc2c(c1OC)OC(C)(C)C=C2	14779959	QQBPQQBBGKYMIL-UHFFFAOYSA-N	236.267	2.594	0	1	BFAF	biogenic
C[C@@H]1CC[C@@H]2C(C)(C)C(=O)[C@@]3(C)C[C@@H](O)[C@]21C3	14919115	DDUWSZBURGHFEW-UPYBOPHASA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
CCC[C@@H]1Cc2cc3c(cc2[C@H]1N(C)C)OCO3	27521860	VBBRLGUKGVXWHQ-BMIGLBTASA-N	247.338	2.990	0	1	BFAF	
CN(C)C[C@@H](c1ccccc1)[C@@H](O)C(C)(C)C	27553347	VKWPPFDVSFTDOF-UONOGXRCSA-N	235.371	2.739	0	1	BFAF	
Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2CN3)cn1	28455843	VFQOGPACCHRZIN-FBIMIBRVSA-N	222.719	2.591	0	1	BFAF	
CNc1ncnc(Nc2ccccc2)c1N=O	38882207	PSDMCJYFGJBGGO-UHFFFAOYSA-N	229.243	2.660	0	1	BFAF	
CCC[C@@H](C)COC(=O)c1cccc(CO)c1	40829514	QEKHMMLKOXALKS-LLVKDONJSA-N	236.311	2.772	0	1	BFAF	
COc1ccccc1[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CN	261171799	TWQYJZHCEIXHSD-HTTKSJEASA-N	231.339	2.784	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3	586917296	PDGOWRCDTRYPQV-ISVAXAHUSA-N	228.295	2.902	0	1	BFAF	
Cc1ccc(C)c2[nH]c(C[C@H](C)N(C)C)nc12	587192585	WGNJYDDTEMKACN-NSHDSACASA-N	231.343	2.672	0	1	BFAF	
COc1cc2c3c(c1)O[C@]1(CC[C@H]1C)[C@@H](C2)C3=O	587447035	KHGQLRFOZKGQSM-SXKNGAHQSA-N	244.290	2.611	0	1	BFAF	
Clc1ncnc2[nH]c(C=C3CCC3)nc12	587965306	QUNZIPBICCQWPV-UHFFFAOYSA-N	220.663	2.574	0	1	BFAF	
CCOC(=O)/C=C(/C)Nc1ccccc1F	958527391	XPCSLEXVCPDWRI-HJWRWDBZSA-N	223.247	2.705	0	1	BFAF	
CC(C)=C[C@H]1NCCc2c(C)ccnc21	963074794	YDAJARGLKLDWFD-GFCCVEGCSA-N	202.301	2.543	0	1	BFAF	
Fc1cc(-c2ccc3ccncc3n2)ccn1	1857603090	MCIRSVXTCLMZIA-UHFFFAOYSA-N	225.226	2.831	0	1	BFAF	
O[C@@]12CCCC[C@H]1[C@@H](c1ccccc1)NCC2	5999541	NRCWMRBKHVZROJ-RRFJBIMHSA-N	231.339	2.642	0	1	BFAF	
c1cc(NCCCCNc2ccncc2)ccn1	26487449	YWXNPUGBFKCTIG-UHFFFAOYSA-N	242.326	2.781	0	1	BFAF	
CCc1nc(-c2ccc(Cl)cc2)nn1C(C)=O	26990436	WMYNVEYLXKRBGG-UHFFFAOYSA-N	249.701	2.821	0	1	BFAF	
Cc1cnc2cc3c(cc2c1)[C@H]1CNC[C@@H]3C1	28527963	NUFWCVUEIDICOH-NEPJUHHUSA-N	224.307	2.717	0	1	BFAF	
CC1(C)[C@H]2C=C[C@@]1(C)C1(CC2)OCCO1	102953917	PUAQBSTWKFCNRV-CMPLNLGQSA-N	208.301	2.742	0	1	BFAF	
CCCCSC(=S)n1ccnc1C	103287143	CFWJNXJYSITZQT-UHFFFAOYSA-N	214.359	2.858	0	1	BFAF	
Clc1ccc2nc(C3=COCC3)[nH]c2c1	586913072	LVFDGMRJKWNPGP-UHFFFAOYSA-N	220.659	2.978	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)F)O2	587383237	RSOYHKVPPADINT-LBPRGKRZSA-N	241.237	2.566	0	1	BFAF	
CC=C(C)C=Cc1cc(=O)c(C)c(OC)o1	2356643483	UHDRCPRMNIQCES-UHFFFAOYSA-N	220.268	2.936	0	1	BFAF	
CC(C)c1cc(/C=C2/CN3CCC2CC3)on1	13802446	KNTVWSMZSGTCJQ-GHXNOFRVSA-N	232.327	2.907	0	1	BFAF	
CC1=C(CC[C@@H](C)O)C(C)(C)[C@H](O)CC1	14587802	PCHNRWMSYBNCRR-ZYHUDNBSSA-N	212.333	2.645	0	1	BFAF	biogenic
CN1CCc2cccc3c2[C@H](CCCC3)C1	27712800	ACCKGVZDPBYTSG-CQSZACIVSA-N	215.340	2.985	0	1	BFAF	
CC1(C)C[C@@H](O)[C@@]23CC[C@H](O)[C@](C)(CC[C@H]12)C3	238744423	BWXJQHJHGMZLBT-BUONHZGMSA-N	238.371	2.725	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@H]1CCC[C@@H]12	253640186	JOOBQJINBSHFNJ-LFIJZLDSSA-N	228.339	2.769	0	1	BFAF	
O=C(N/C=C/c1ccccc1)c1ccc(O)cc1	1857754694	JZNKFQKBWKOYMT-ZHACJKMWSA-N	239.274	2.793	0	1	BFAF	
CC1(C)[C@]2(O)CC[C@]1(C)C1=CC[C@@](C)(O)[C@H]1C2	2356511498	CACULIXBSFBBKT-MYPMTAMASA-N	236.355	2.645	0	1	BFAF	
O=C1Nc2ccccc2/C1=C\c1n[nH]cc1Cl	26822008	GWLUGYITWVGWFU-VMPITWQZSA-N	245.669	2.556	0	1	BFAF	
Cc1ccc([C@@H](O)[C@H]2CC3CCN2CC3)cc1	29485990	NNZNRCHTIVGVFE-HUUCEWRRSA-N	231.339	2.513	0	1	BFAF	
CON(C)[C@H](C)Cc1ccc(SC)cc1	49018192	WZJIRAIDJKELQJ-SNVBAGLBSA-N	225.357	2.833	0	1	BFAF	
C/C(=C/CC[C@]1(C)[C@H]2CC[C@H](C2)[C@]1(C)O)CO	70455033	DZAZSBAAFSSMAB-CQDQGDPQSA-N	238.371	2.892	0	1	BFAF	biogenic,in-vitro
CC(=O)OC[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	100050356	TXFBASMXWNIAGS-KSSYENDESA-N	208.301	2.622	0	1	BFAF	
Cc1cc(OCC(C)C)nc(NC(C)C)n1	103193711	JZNCBEBLYWQDHV-UHFFFAOYSA-N	223.320	2.640	0	1	BFAF	
COc1cc2c(cc1OC)[C]1CCCN1C=C2	2356849470	KITDBSJNIRKEEW-UHFFFAOYSA-N	230.287	2.664	0	1	BFAF	
CCCN1CC[C@H]2Cc3c(cccc3OC)C[C@@H]21	13826561	HDCVYYTWHHFQGS-ZFWWWQNUSA-N	245.366	2.894	0	1	BFAF	
CCCN(CCC)C1Cc2c(O)ccc(O)c2C1	40639411	KNDYTNKMAQPJGK-UHFFFAOYSA-N	249.354	2.687	0	1	BFAF	
Cc1cnc(N2CCC[C@H]2C)nc1NC(C)C	82201622	ODZUPAODQOPUPR-LLVKDONJSA-N	234.347	2.594	0	1	BFAF	
O[C@]12CCC[C@@H](C1)SC(c1ccccc1)=N2	101001757	MXTATNQMWUVGBS-WCQYABFASA-N	233.336	2.811	0	1	BFAF	
C[C@@]12N[C@H]([C@H](O)c3ccccc31)[C@@H]1CCCC[C@@H]12	169359502	QUUVVNAADCNVJY-CEVLKMKRSA-N	243.350	2.727	0	1	BFAF	
COC(=O)CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C	238770342	IAFZDECXSSLOPI-CWUQZGLOSA-N	208.301	2.622	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2cncc(C)c2[nH]1	586908709	CXJPUYAHXHUQRI-CMPLNLGQSA-N	245.326	2.939	0	1	BFAF	
Nc1ccc(F)c(Cc2nc3ccccc3[nH]2)c1	587140855	HDAOFSIJGGMRRE-UHFFFAOYSA-N	241.269	2.875	0	1	BFAF	
CC(=O)CCc1cc2c3c(cccc3n1)CC2	587212550	BUUZGQFLWOVWDH-UHFFFAOYSA-N	225.291	2.855	0	1	BFAF	
COC(=O)[C@@H](C)c1cc2c3c(cccc3n1)CC2	587214828	VGWNHDPJMQAKHL-VIFPVBQESA-N	241.290	2.610	0	1	BFAF	
C[C@@H]1C(=O)Cc2c1nc1cccc3c1c2CC3	587215920	WRVCWORHYXEUQJ-MRVPVSSYSA-N	223.275	2.562	0	1	BFAF	
NC(=S)c1cc(F)cc(-c2ccc(O)cc2)c1	1857590917	GCZLRFMXORDNHK-UHFFFAOYSA-N	247.294	2.833	0	1	BFAF	
O=C(C1CCCCC1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1	1857634986	DXMJULIKMLDOFU-AJNGGQMLSA-N	245.366	2.847	0	1	BFAF	
Oc1ccc2c(c1)[C@H](c1ccccc1)CNCC2	12355930	SNXWZKKKYZCZRK-INIZCTEOSA-N	239.318	2.670	0	1	BFAF	
CC1CCC(OC(=O)Cc2ccncc2)CC1	26822368	NKAHXGOZOPYCMD-UHFFFAOYSA-N	233.311	2.746	0	1	BFAF	
c1nc([C@H]2C[C@@H]2CNCC2CCCCC2)c[nH]1	35033825	SGHHKDMDVKJWOL-OLZOCXBDSA-N	233.359	2.683	0	1	BFAF	
CCCCCOC(=O)N1N=C(C)N=N[C@H]1C	40505955	DNGLDWGAAUPFGW-SECBINFHSA-N	226.280	2.760	0	1	BFAF	
C=COC(=O)Nc1cccc2ccc(N)nc12	43062081	LAPUJIXOMDQCOJ-UHFFFAOYSA-N	229.239	2.509	0	1	BFAF	
Cc1cnc(N2CCC[C@H]2C)nc1NCC(C)C	82201628	LTSQYLYVLYVPFQ-GFCCVEGCSA-N	248.374	2.842	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@]41C	169373093	LRNABWCLYGWJSN-QHKZIHHASA-N	231.383	2.913	0	1	BFAF	
S=C1N=C2CCC[C@@H]2[C@H](c2ccccc2)N1	169726107	XCMOIYBNFINWKB-JQWIXIFHSA-N	230.336	2.857	0	1	BFAF	
C[C@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC=C2[C@@]34C1	257637381	XZMYQBCMWCZCML-GMZLATJGSA-N	245.366	2.786	0	1	BFAF	
OCc1cccc(-c2nc3cccc(F)c3[nH]2)c1	586895067	NHQULBBYAOIDNP-UHFFFAOYSA-N	242.253	2.861	0	1	BFAF	
COCCCCCCCC[C@@H](O)CCC(=O)O	6482971	XAJUEKDFUPPVCT-GFCCVEGCSA-N	246.347	2.589	0	1	BFAF	
Clc1cccc2c1C[C@@H](C[C@H]1CN=CN1)CC2	13862095	BMPZSZPBZNKNFC-PWSUYJOCSA-N	248.757	2.835	0	1	BFAF	
CCC[C@H](C(=O)c1ccc(N)cc1)N1CCCC1	42920394	DUNXFOYJTLLKNQ-CQSZACIVSA-N	246.354	2.716	0	1	BFAF	in-vivo
CNc1ccc2nc(-c3ccccc3)oc2n1	96911321	WNSXPHNEAMNXBK-UHFFFAOYSA-N	225.251	2.932	0	1	BFAF	
CCC(CC)n1c(O)nc2ncc(Cl)nc21	114953936	WPDKEIHMTHBWTQ-UHFFFAOYSA-N	240.694	2.546	0	1	BFAF	
O=NCc1cccc(Br)c1F	199733693	PRQRFSVIOJKRRH-UHFFFAOYSA-N	218.025	2.855	0	1	BFAF	
c1cc2nc(-c3ccc4c[nH]nc4c3)cnc2[nH]1	473152352	SZNXIZWKPRLJJL-UHFFFAOYSA-N	235.250	2.501	0	1	BFAF	
CSC=CC(=O)N(C)CCc1ccccc1	2356336637	MJMYEUZTXGLJEX-UHFFFAOYSA-N	235.352	2.564	0	1	BFAF	
CCC=C1C[C@@H]2CNc3ccccc3C(=O)N2C1	2356693634	MGYWULAVXWGTIC-GFCCVEGCSA-N	242.322	2.663	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2C=C(CO)CC[C@H]21)CO	2356777686	BOEUJLMNWCJKHN-ILXRZTDVSA-N	236.355	2.670	0	1	BFAF	
Cc1ccc(Cn2ccc(=N)cc2)c(C)c1	491438	QQMGDSMCTZCKFR-UHFFFAOYSA-N	212.296	2.633	0	1	BFAF	biogenic
Fc1ccc(Oc2ccncn2)c(F)c1	169331619	JVXUZJALANFOHZ-UHFFFAOYSA-N	208.167	2.547	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@@H]2OC1=O	238748039	NEHXPIGRYFZMOE-BUWBAVOPSA-N	248.322	2.644	0	1	BFAF	
Nc1ccc(-c2cc3ccncc3c(O)n2)cc1	474608448	LYZXBLIUCMDGKN-UHFFFAOYSA-N	237.262	2.585	0	1	BFAF	
COc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2n1	587966893	IDOUPGRNWCXPBJ-IVZWLZJFSA-N	241.294	2.646	0	1	BFAF	
CC(C)[C@@H]1CC[C@@H]2CO[C@@H]3C[C@](C)(O)CC[C@@]213	653784976	LNHWLSPYDJHJJB-XLWJZTARSA-N	238.371	2.989	0	1	BFAF	
C[C@@H]1CCC(=O)[C@@H]2CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]12C	2356407048	OAZXHCVVSKAMMX-JVSPIZQXSA-N	234.339	2.853	0	1	BFAF	
C[C@H](O)CC[C@@H](C)C=C1C=C[C@@H]2CCCN2C1	2356544740	AYXNBUOZKHOIPL-IPYPFGDCSA-N	235.371	2.744	0	1	BFAF	
CCCCCCc1cc(O)c(C)c(=O)o1	2356792862	GWUGOXDDIKUMJF-UHFFFAOYSA-N	210.273	2.777	0	1	BFAF	
C[C@H]1N[C@H]2c3cccc(N)c3[C@@H]1[C@@H]1CCC[C@H]21	38674447	FMBYQEIJDWNYNT-GVBHRIMQSA-N	228.339	2.815	0	1	BFAF	
Cc1cc2ccc3occc3c2oc1=O	49110618	LFOMIXFRGAIFQF-UHFFFAOYSA-N	200.193	2.848	0	1	BFAF	
Fc1ccc(-c2nc3cc[nH]cc-3n2)cc1	100969144	GRKHLUMDZHHSDD-UHFFFAOYSA-N	213.215	2.716	0	1	BFAF	
Cc1cnc2cc3c(cc2c1)[C@@H]1CNC[C@@H]3C1	101057670	NUFWCVUEIDICOH-RYUDHWBXSA-N	224.307	2.717	0	1	BFAF	
O=C1OC[C@H]2CC=C[C@H](c3ccccc3)[C@H]12	169347724	FSIHQKLPZACRCL-JHJVBQTASA-N	214.264	2.519	0	1	BFAF	
CC/C=C/C[C@]1(C)SC(=O)[C@H](C)C1=O	169719248	HFBDIZKDKSFWDK-ZPTAOWOPSA-N	212.314	2.580	0	1	BFAF	
CC(=O)N[C@]1(C)[C@H](C)[C@@H]2C[C@@H]1[C@H](C)C2(C)C	195516065	NUMKLBYYJZQOGT-ZVJUDGJZSA-N	223.360	2.829	0	1	BFAF	
Cc1cccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c12	586910782	QAXVGTQTEYSAGH-VIFPVBQESA-N	244.294	2.680	0	1	BFAF	
Nc1cc(F)c(-c2nc3ccccc3[nH]2)cc1N	587137017	OTGMKODVYFHZIS-UHFFFAOYSA-N	242.257	2.533	0	1	BFAF	
COC(=O)C[C@H](C)Cc1nc2cccc(C)c2[nH]1	587786438	QQFNMRRSXFDZJY-SECBINFHSA-N	246.310	2.613	0	1	BFAF	
c1ccc(C2CC2)c(-c2nn3cnnc3s2)c1	1857609689	LICZJGKDJPTHHB-UHFFFAOYSA-N	242.307	2.730	0	1	BFAF	
N=C1NCc2cc(-c3ccccc3)ccc2N1	1857744697	ADGSMTQGIYPFOD-UHFFFAOYSA-N	223.279	2.803	0	1	BFAF	
CCCC[C@H]1Oc2cc(OC)ccc2C1=O	1857763694	JZMDKYFXQCRJHM-LLVKDONJSA-N	220.268	2.829	0	1	BFAF	
NC[C@H](Cc1ccccc1)NCC1CCCCC1	209981768	RLXBOSXZIASTGR-INIZCTEOSA-N	246.398	2.726	0	3	BFAF	
CN1[C@@H]2CC=C(c3ccc(Cl)nc3)[C@H]1CC2	26173582	PWTGETLSBCHUOY-ZYHUDNBSSA-N	234.730	2.985	0	1	BFAF	
C[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12	33836455	RGQUDRQSJYJYAQ-UHFFFAOYSA-O	217.679	2.799	0	1	BFAF	in-vivo
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]1C2	100775068	VWQSEENZNJRXDR-XZBVAUNFSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
c1ccc2nc(-c3nc4cc[nH]cc-4n3)cnc2c1	101072520	GMXBOZYDWSCWAQ-UHFFFAOYSA-N	247.261	2.520	0	1	BFAF	
N[C@H](c1ccsc1)c1nc2cccc(F)c2[nH]1	587024937	HCDXWBZFVSXVOH-SNVBAGLBSA-N	247.298	2.812	0	1	BFAF	
CC[C@@H]1C(=O)Cc2c1nc1cccc3c1c2CC3	587215360	LZGPCQQINYLFEE-SNVBAGLBSA-N	237.302	2.952	0	1	BFAF	
Cn1cc(-c2ccccc2)c(-n2cccc2)n1	1857641100	VLMIUEHYKGMAHV-UHFFFAOYSA-N	223.279	2.878	0	1	BFAF	
COC=Cc1cc(-c2ccccc2)no1	2356284183	RCOQLIMTZZDCIP-UHFFFAOYSA-N	201.225	2.959	0	1	BFAF	
CCCC[C@@H](c1ccccc1)S(C)(=O)=O	230514085	VHRRSFIIBAUAHN-LBPRGKRZSA-N	226.341	2.963	0	3	BFAF	
CC(C)=C[C@H](O)[C@H](O)[C@@H](C)c1ccc(C)cc1	14859908	CIGQSFSQDIHCFO-AEGPPILISA-N	234.339	2.787	0	1	BFAF	biogenic
CC1=Nc2cc(-c3ccc(C)cc3)nn2C(=O)C1	18181759	PFLKHDLSTPDXAX-UHFFFAOYSA-N	239.278	2.995	0	1	BFAF	
C[C@]12N[C@H](Cc3ccc(N)cc31)c1ccccc12	27892547	JCVPNSINBFCUPK-HZPDHXFCSA-N	236.318	2.733	0	1	BFAF	
COc1ccc(C(=O)O)c(Cc2ccco2)c1	29317722	LKLSZSBYKAOXGJ-UHFFFAOYSA-N	232.235	2.577	0	1	BFAF	
COc1ccc2c(c1)OC(C)(C)C1=C2OC(=O)C1	103213646	BCABSKNNDSWVRP-UHFFFAOYSA-N	246.262	2.524	0	1	BFAF	
Nc1cccc(O)c1-c1nc2ccc(F)cc2[nH]1	587250333	MYLBTBNTTWZCJI-UHFFFAOYSA-N	243.241	2.657	0	1	BFAF	
CC1(C)CN2CCNCc3ccc(Cl)c1c32	1911575836	HZQVOKXAHUWYNB-UHFFFAOYSA-N	236.746	2.541	0	1	BFAF	
C[C@]12Nc3ccccc3N1C(=O)c1ccccc12	5580964	SQCXGPKAYHPKFP-HNNXBMFYSA-N	236.274	2.945	0	1	BFAF	
Cc1ccc2c(c1)O[C@@]1(C)[C@@]2(C)CC[C@@]1(C)O	13370997	UUTNFVHOXZVUMX-ZNMIVQPWSA-N	232.323	2.949	0	1	BFAF	biogenic
C=C1CCC[C@H](CO)C(=O)C[C@H]2[C@H]1CC2(C)C	14445427	BCRCLRXVJYXWBA-AGIUHOORSA-N	236.355	2.957	0	1	BFAF	biogenic
Cc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cn1	26169730	YMYHAKREHJSLSW-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
CC1=NN(C(=O)Oc2ccccc2)[C@H](C)N=N1	40632064	CNHSKDKKMNCXSZ-SECBINFHSA-N	232.243	2.633	0	1	BFAF	
C[C@H]1CCCC[C@H]1n1cnc2ccc(O)nc21	118263820	MEHLUSUYFBXKDG-GXSJLCMTSA-N	231.299	2.888	0	1	BFAF	
O=c1c2ccccc2nc2n1CCc1ccccc1-2	196484085	ZTRNUWFOLAADDI-UHFFFAOYSA-N	248.285	2.620	0	1	BFAF	
C[C@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@H]1O	238744044	SUNRMOIMPOGBOY-IHWVXMPCSA-N	240.387	2.971	0	1	BFAF	
Cc1cccc2nc(CC[C@@H](C)CC(=O)O)[nH]c12	587962314	DKRMNAKEKBPDDX-SECBINFHSA-N	246.310	2.915	0	1	BFAF	
CC1(C)[C@@H]2[C@@H]3[C@@H](CC[C@]3(C)O)C[C@](C)(O)C[C@H]21	2356651611	TYUOUBYXWCSPRN-CJIRXYIGSA-N	238.371	2.581	0	1	BFAF	
c1ccc2c(c1)SCCc1cn[nH]c1-2	5545598	PLQBHICEZPBNDD-UHFFFAOYSA-N	202.282	2.725	0	1	BFAF	
CC(C)c1ccc2c(c1)C[C@@]1(CC2)CN=CN1	13743753	GBFJMFDOINWNCM-HNNXBMFYSA-N	228.339	2.669	0	1	BFAF	
CC1=C2C[C@]3(C)C(=C[C@]2(O)OC1=O)CCC[C@H]3C	14450182	VCKBXFCIXKWWAI-NKZPBKNFSA-N	248.322	2.705	0	1	BFAF	biogenic
CO/C=C\c1cc2ccc(=O)oc2cc1C	14589899	GENWIQAWAHKDHA-WAYWQWQTSA-N	216.236	2.719	0	1	BFAF	endogenous,in-man
CC1=CO[C@@H](c2ccccc2)[C@@H](C)[C@H]1O	40487262	ZCZKWXJIPYYHIU-WCFLWFBJSA-N	204.269	2.659	0	1	BFAF	
CCCc1cc(=O)c2c(OC)cc(OC)cc2o1	40849118	OWKICUYZFSTQDO-UHFFFAOYSA-N	248.278	2.763	0	1	BFAF	
c1c[nH]c2cc(-c3ccsc3)nc-2n1	100825745	WZJAZRZYTFJWLI-UHFFFAOYSA-N	201.254	2.638	0	1	BFAF	
COC(=O)CC[C@@]12CC[C@H](O1)c1ccccc12	102952687	RAEYJAPMCKFCSM-GXTWGEPZSA-N	232.279	2.700	0	1	BFAF	
CC(C)[C@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2[C@@H]1O	238772912	RUGJZFZHTUVOIR-MRLBHPIUSA-N	240.387	2.971	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cc(N)c(N)cc2[nH]1	586893908	ZQZDLXKNWVFDRU-WPPNPWJKSA-N	230.315	2.631	0	1	BFAF	
Oc1nc(-c2nc3ccc(F)cc3[nH]2)cs1	587017637	MRZFHPZSROCLMI-UHFFFAOYSA-N	235.243	2.531	0	1	BFAF	
Oc1cc2c(F)c(Br)ccc2[nH]1	957644875	CCABEUGWWNANGU-UHFFFAOYSA-N	230.036	2.775	0	1	BFAF	
c1cncc(-c2ccc([C@@H]3CCCCN3)cn2)c1	13358856	KYEXTKJOQYPDJJ-AWEZNQCLSA-N	239.322	2.958	0	1	BFAF	biogenic
CC1(OC(=O)Cc2ccncc2)CCCCC1	26829432	RSBZGEGXWDBCEX-UHFFFAOYSA-N	233.311	2.890	0	1	BFAF	
Cc1cccc(-c2cnn3c(S)ccnc23)c1	27705506	ZSMIOEHEBBAIOR-UHFFFAOYSA-N	241.319	2.993	0	1	BFAF	
Cc1cccc(C)c1C(=O)OC1CCN(C)CC1	29323763	XHHPLKJJNYVZFY-UHFFFAOYSA-N	247.338	2.554	0	1	BFAF	
Cc1ccc(-n2sc(Cl)cc2=O)cc1	36381316	UFKQWUTURRYDAW-UHFFFAOYSA-N	225.700	2.861	0	1	BFAF	
NC(=O)Cc1ccccc1-c1ccc(F)cc1F	147240518	FWSQMFZIAHPVHN-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
Cc1noc(C)c1-c1cc(F)c(O)c(C=O)c1	169699612	XLBHNGOZOHQPGZ-UHFFFAOYSA-N	235.214	2.616	0	1	BFAF	
C[C@@H]1C(=O)S[C@@](C)(CCc2ccccc2)C1=O	169719185	NDVCLVVVPXPPLD-HZMBPMFUSA-N	248.347	2.857	0	1	BFAF	
OCCc1ccc2nc(C=C3CCC3)[nH]c2c1	587964684	GFHCDDPUEIAPSO-UHFFFAOYSA-N	228.295	2.665	0	1	BFAF	
Fc1cc(F)cc(Cn2cccnc2=S)c1	4209	RBQVMTHNEZEILC-UHFFFAOYSA-N	238.262	2.939	0	1	BFAF	
CC(C)C[C@@]12C[C@H]3CC[C@@H](CNC1=O)[C@]32C	5812842	CVXGDFQPURMPGD-UVLXDEKHSA-N	221.344	2.585	0	1	BFAF	
Cn1c(-c2ccccc2)cc2nccnc21	13492987	XUQRPUGBTUIBDQ-UHFFFAOYSA-N	209.252	2.635	0	1	BFAF	
CCOC(=O)CCc1ccc2occc2c1O	14443354	YFBKETOOUCGSLU-UHFFFAOYSA-N	234.251	2.634	0	1	BFAF	biogenic,in-vitro
C=C(C(=O)O)[C@@H]1CC=C2CCC(=O)[C@H](C)[C@]2(C)C1	14450135	AXYFUUAVMRWJKT-RWSFTLGLSA-N	248.322	2.969	0	1	BFAF	biogenic
CC(=O)C[C@H]1c2ccccc2N=C2CCCN21	14638351	YMTAZHNVFUVLKW-ZDUSSCGKSA-N	228.295	2.846	0	1	BFAF	biogenic
C[C@@H](Oc1ccc2ccccc2c1)C1=NCCN1	27707157	KCDOZQKCPJJDTA-LLVKDONJSA-N	240.306	2.609	0	1	BFAF	
C[C@H](OC1CCN(C)CC1)c1ccc(F)cc1	28528087	KPCIUQMXEVBUGK-NSHDSACASA-N	237.318	2.998	0	1	BFAF	
NC(=O)c1cccc2c1Oc1ccccc1N=C2	43205505	VNIUHBPVROIPNV-UHFFFAOYSA-N	238.246	2.642	0	1	BFAF	
CON(C)[C@@H](C)Cc1ccc(SC)cc1	49018188	WZJIRAIDJKELQJ-JTQLQIEISA-N	225.357	2.833	0	1	BFAF	
CC1=C2C=C(C(C)C)[C@H](O)C[C@@]2(C)CC[C@@H]1O	85756882	VVXQZYBISSESNR-RRFJBIMHSA-N	236.355	2.811	0	1	BFAF	
O[C@H]1C=C2c3ccccc3-c3cccc(c32)[C@@H]1O	2021669	WZPSABMMMAFNIT-HOCLYGCPSA-N	236.270	2.507	0	1	BFAF	
C[C@]12N[C@H](c3ccccc31)[C@H](O)c1ccccc12	27892198	ICNAEBGGDVSIIR-OAGGEKHMSA-N	237.302	2.641	0	1	BFAF	
Cc1nc2c(cc1-c1ccncc1)[C@@H](C)C(=O)N2	100030825	VCNHBHOCRXRIGY-MRVPVSSYSA-N	239.278	2.508	0	1	BFAF	
NC(=O)Cc1ccc(F)cc1-c1ccccc1F	118802075	ATRYWOARBVJBEX-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
C1=C(c2nc3ccc4ncccc4c3[nH]2)CCO1	586911879	ALUJTVOLZFTMJK-UHFFFAOYSA-N	237.262	2.872	0	1	BFAF	
CCCC/C=C\c1nc2cnncc2[nH]1	587966127	SBYMIGJOEOIZCR-WAYWQWQTSA-N	202.261	2.556	0	1	BFAF	
C[C@H](CCn1cncn1)Cc1ccccc1	1857749173	DKTXZTXJOMIYJY-GFCCVEGCSA-N	215.300	2.547	0	1	BFAF	
CC(=O)CCCC(C)=C[C@@H]1CC(C)=CC(=O)O1	2356406431	WJGICUNWMSIRJO-CYBMUJFWSA-N	236.311	2.954	0	1	BFAF	
C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@H](CO)CC[C@@H]12	14962735	FFVCMXOAPCVMHQ-DHMWGJHJSA-N	249.354	2.824	0	1	BFAF	
CC(C)N1CC2CN(C(C)C)CC(C1)C2(C)C	26980994	NSVHXPLSFRYSRA-UHFFFAOYSA-N	238.419	2.693	0	1	BFAF	
CCCCC[C@H]1CCC[C@H](CC(=O)OC)N1	38953269	DQQHRVKXFNWOFO-NWDGAFQWSA-N	227.348	2.641	0	1	BFAF	
Cc1cnc(N2CCCC2)nc1NC1CCCC1	82212703	CFZYCBSPECSPGD-UHFFFAOYSA-N	246.358	2.740	0	1	BFAF	
C[C@@]1(/C=C/c2ccc(F)cc2)C=CC(=O)O1	96921230	NLNFANUFIHGANN-STMXVASLSA-N	218.227	2.711	0	1	BFAF	
C[C@@]12N[C@H](c3ccccc31)[C@H](O)c1ccccc12	100649170	ICNAEBGGDVSIIR-BZUAXINKSA-N	237.302	2.641	0	1	BFAF	
COc1cccc(Nc2n[nH]c3cccnc23)c1	118721823	XFQVMVDUBDTXHM-UHFFFAOYSA-N	240.266	2.710	0	1	BFAF	
COSCCCCCCN(C(N)=O)C(C)C	238776372	DALANNGMXKSTOR-UHFFFAOYSA-N	248.392	2.631	0	1	BFAF	
Cc1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1	587963357	UEXBOCOOAVGYQG-SNVBAGLBSA-N	246.310	2.915	0	1	BFAF	
CC[C@H]1C(=O)C[C@@H]2CCN(C)[C@@H]3CCC[C@H]1[C@@H]23	1772589613	ADPMDKKBKLIPOH-KMCWBVRRSA-N	235.371	2.722	0	1	BFAF	
CC1=CC[C@H]2CO[C@@H](C3=CC=CN(C)C3)[C@H]1C2	2356836501	LBEBNBXRCVCPOC-SNPRPXQTSA-N	231.339	2.743	0	1	BFAF	
C[C@@H]1CC[C@@H]2C(C)(C)C(=O)[C@]3(C)C[C@H](O)[C@@]21C3	13382504	DDUWSZBURGHFEW-IUPFNGILSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
c1ccc2c(c1)Cc1cccc3c1[C@H]2CNC3	13473108	HRGBJIPOLZMPKG-HNNXBMFYSA-N	221.303	2.826	0	1	BFAF	
C[C@H](C(=O)O)C1=C[C@]2(C)C(=CC1=O)CCC[C@H]2C	14619312	GZKPGELBFJDQJX-FTGAXOIBSA-N	248.322	2.969	0	1	BFAF	biogenic
OCc1ccc(NCc2cccc(Cl)c2)cn1	29212914	PYVUVHKXMQWDED-UHFFFAOYSA-N	248.713	2.839	0	1	BFAF	
CC[C@@]12CCN(C)[C@@H](Cc3ccc(O)cc31)C2	31562123	HTVYMSXOJZFICF-WFASDCNBSA-N	231.339	2.690	0	1	BFAF	
Cc1ccc2nnc(-c3ccc(Cl)cc3)n2n1	82060407	WCFCLKBRGAOERS-UHFFFAOYSA-N	244.685	2.753	0	1	BFAF	
CN(C)[C@H]1[C@@H]2C=CC[C@@H]1c1ccccc1C2	100659888	KUBLWHSLTUANRG-YUELXQCFSA-N	213.324	2.833	0	1	BFAF	
C[C@@H]1[C@@H]2C[C@H]3CC[C@]2(C)[C@@](O)(C[C@H]1O)C3(C)C	197719880	GILFHGQCINVCMC-XFWGRBSCSA-N	238.371	2.581	0	1	BFAF	
CO[C@H]1CCc2c(nc3cccc4c3c2CC4)C1	587212768	CNKMPMBHEFMFKF-NSHDSACASA-N	239.318	2.837	0	1	BFAF	
Cc1c(F)ccc2c1[C@]1(CCCOCC1)NCC2	962142113	FPGDKKHGYLFYNW-OAHLLOKOSA-N	249.329	2.676	0	1	BFAF	
CC=CCc1cc2ccc(=O)oc2cc1O	2356499957	NOZQGDXHEVRPTN-UHFFFAOYSA-N	216.236	2.617	0	1	BFAF	
C[C@H]1C[C@@H]2CC[C@@]34CCCN5CCC[C@@]23[C@@]5(C1)N4	2356784317	OAZOHRGEPYRUQB-GVRJEKJASA-N	246.398	2.741	0	1	BFAF	
C[C@H]1CCc2cc(F)cc3c(CCN)cn1c23	4638322	IMICWWRDHASRGJ-VIFPVBQESA-N	232.302	2.789	0	1	BFAF	
CC1=C2C[C@]3(C)C(=CCC[C@H]3C)C[C@]2(O)OC1=O	14450167	WJTUALPSQZTCPQ-NKZPBKNFSA-N	248.322	2.705	0	1	BFAF	biogenic
Cc1cnc2cc3c(cc2c1)[C@@H]1CNC[C@H]3C1	28527964	NUFWCVUEIDICOH-NWDGAFQWSA-N	224.307	2.717	0	1	BFAF	
C[C@@H]1c2nc3cc4cn[nH]c4cc3nc2C[C@H]1C	64448538	HOVDTOOFGJIJAJ-SFYZADRCSA-N	238.294	2.802	0	1	BFAF	
CCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12	96927510	WQMCVZIZCXEJMB-GJZGRUSLSA-N	247.338	2.527	0	1	BFAF	
Nc1cccc(-c2c[n+]3ccccc3s2)c1	169318482	MVBQHQSJJQHMOM-UHFFFAOYSA-N	227.312	2.736	0	1	BFAF	
CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1	209509525	UOWQGZGDOQIXHE-UHFFFAOYSA-N	243.306	2.946	0	1	BFAF	
C[C@H](F)[C@H](N)c1nc2ccc3c(c2[nH]1)CCCC3	587126063	VKIDCARAZFLJIP-UFBFGSQYSA-N	247.317	2.800	0	1	BFAF	
CC(C)c1ccc([C@H](N)N=O)c(Cl)n1	957611464	PQGNGKLIYPBKEW-SECBINFHSA-N	213.668	2.582	0	1	BFAF	
Cc1conc1[C@@H]1NCCc2ccc(F)c(C)c21	962087177	CULSGASJJKHIKP-CQSZACIVSA-N	246.285	2.666	0	1	BFAF	
Cc1cc2c3c(c1Cl)[C@H](C)CN3CCNC2	1911582477	CEZWJUXXYRJAAD-SECBINFHSA-N	236.746	2.675	0	1	BFAF	
C[C@@H]1N=NC(c2ccc(F)cc2)=CN1O	4452508	OCBISEJNZSTGHV-SSDOTTSWSA-N	207.208	2.627	0	3	BFAF	
CCC(CC)NC[C@@H]1CCc2ccc(O)cc2O1	13775951	DXGWEOVPJQPZFA-AWEZNQCLSA-N	249.354	2.864	0	1	BFAF	
CN[C@]12CCCC[C@@H]1Cc1ccc(OC)cc12	27742101	YNPJHPVRCSPJRY-IUODEOHRSA-N	231.339	2.856	0	1	BFAF	
CCCC[C@@H](CC)n1cnc2c(N)ncnc21	45256050	QMACLGXXJKFGPH-SECBINFHSA-N	233.319	2.550	0	1	BFAF	
Clc1ccc(Oc2ccc3nncn3n2)cc1	49049607	CICYJIYPPZEUCD-UHFFFAOYSA-N	246.657	2.570	0	1	BFAF	
CC(=O)CC[C@H]1[C@H](C)C[C@H](O)CC1(C)C	60290089	GZFXCGAUFAQBLT-USWWRNFRSA-N	212.333	2.789	0	1	BFAF	biogenic,in-vitro
CCC[C@]1(c2ccccc2)OCC[C@H](CCN)O1	95555234	WEIHGVGRYXRBBS-GJZGRUSLSA-N	249.354	2.794	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]1C)O2	587405932	OFDKAFPSEBVQIW-OTYXRUKQSA-N	231.295	2.711	0	1	BFAF	
CC=CCCC(=O)c1ccc(O)c(C)c1O	2356415619	QIOAHIHDYLMQLI-UHFFFAOYSA-N	220.268	2.945	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H](O)[C@@H]12	2356613321	HGRCRWYTMFSGFV-WPLOAARJSA-N	240.387	2.971	0	1	BFAF	
CC(C)C1=CC[C@@](C)(O)[C@H]2CC[C@H](O)[C@H]2C1	70454907	DSIAMBWSIUQISV-XDQVBPFNSA-N	224.344	2.501	0	1	BFAF	biogenic,in-vitro
CN(C)CCC[C@]1(O)C[C@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3	102250602	HCONCBNXIFELLM-YTFOTSKYSA-N	237.387	2.515	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1[C@H](O)CCC[C@@H]21	169319958	QVONKCBUMIKHBA-DUVNUKRYSA-N	246.374	2.575	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H](O)CCC(CO)=C[C@H]12	238752160	KCFDRPUCBYFXQR-UMVBOHGHSA-N	238.371	2.892	0	1	BFAF	
CC[C@@]1(C)N=C(C)C(=O)N1CCc1ccccc1	2356639320	MFICYADGWDYTDB-HNNXBMFYSA-N	244.338	2.658	0	1	BFAF	
Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1	13583538	NBTXJDAHLMMIGY-UHFFFAOYSA-N	243.218	2.612	0	1	BFAF	in-vivo
C[C@H](NC1CCCC1)C(=O)c1cccc(F)c1	45390505	CFVHNYYHCCJXDK-JTQLQIEISA-N	235.302	2.929	0	1	BFAF	in-vivo
CCc1ccc2ccc(=O)oc2c1C(C)=O	95587987	IDRJSKMKXYHQDS-UHFFFAOYSA-N	216.236	2.558	0	1	BFAF	
COC(=O)CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356474910	IAFZDECXSSLOPI-UPMNNPRZSA-N	208.301	2.622	0	1	BFAF	
C[C@H](O)C[C@@H]1CCC[C@@H]2C[C@@H](C)C[C@@H](C)N12	2356812266	BJAAYFAOLGNUCH-VJTDZRGJSA-N	225.376	2.799	0	1	BFAF	
CC1(C)N=C(c2ccccc2)N(O)C1(C)C	5762020	ZIMVUBZVBDQGEU-UHFFFAOYSA-N	218.300	2.695	0	1	BFAF	
CN1C(=O)c2cccnc2Oc2cc(F)ccc21	6481398	MOHYLQTWQIHBTI-UHFFFAOYSA-N	244.225	2.603	0	1	BFAF	
CC(=O)CC[C@@H]1[C@H]2CC3=C(C)C(=O)O[C@H]3C[C@@]12C	13412563	LWEBVMKVDYHHRS-CXTNEJHOSA-N	248.322	2.644	0	1	BFAF	biogenic,in-vitro
c1ccc2c(c1)CC[C@H]1[C@H](c3cc[nH]n3)[C@@H]21	13746669	FIORVGNTSODCHF-KWCYVHTRSA-N	210.280	2.853	0	1	BFAF	
O=C1CCC(=C2C[C@H]3[C@@H]4C[C@H](O)[C@@H](C4)[C@H]3C2)CC1	13835458	UNLZEDPWRQTNSP-YDMUCJKGSA-N	246.350	2.853	0	1	BFAF	
Clc1ccc(C2=C[C@H]3CC[C@@H](C2)N3)cn1	27638903	XBTJJUGPWLAITG-MNOVXSKESA-N	220.703	2.643	0	1	BFAF	
C[C@@H](NC1CCCC1)C(=O)c1cccc(F)c1	45390509	CFVHNYYHCCJXDK-SNVBAGLBSA-N	235.302	2.929	0	1	BFAF	in-vivo
CC[C@@H](C)Nc1nc(N2CCCC2)ncc1C	82212696	FOMAGSKILYPAJW-LLVKDONJSA-N	234.347	2.596	0	1	BFAF	
C=C/C=C\c1cc(OC)c(OC)cc1OC	95919227	WACVTIABRPEUPH-SREVYHEPSA-N	220.268	2.912	0	1	BFAF	biogenic,in-vitro
CC(=O)c1csc(Nc2ccc(O)cc2)n1	103299410	PPFKHENTZYZFOX-UHFFFAOYSA-N	234.280	2.795	0	1	BFAF	
C[C@@H]1C[C@H](O)[C@H]2[C@@H]1C[C@H]1CC[C@@]2(C)OC1(C)C	256516078	ZADVMZUKWWMSLQ-QUMMREBQSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
C[C@H](SC[C@H]1CC[C@H]2C[C@H]1C2(C)C)C(N)=O	299815289	NKUFVXRKKRVOQA-ZRUFSTJUSA-N	241.400	2.666	0	1	BFAF	
O=C1C[C@@H]2C[C@H]1c1c2nc2cccc3c2c1CC3	587216009	YCKCWGHABVWIRB-GXSJLCMTSA-N	235.286	2.877	0	1	BFAF	
COC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587526245	SJDIYFLSJMQUGR-LLVKDONJSA-N	246.306	2.546	0	1	BFAF	
CCC=C(C)c1ccc([C@@H](C)O)c(=O)o1	2356326259	VSEOEXSPCMUHTQ-SECBINFHSA-N	208.257	2.506	0	1	BFAF	
CC1(C)[C@@H](O)CC[C@@]1(C)C1=CCC(CO)=CC1	2356806016	ZYWZWHQVYVGXQE-ZFWWWQNUSA-N	236.355	2.813	0	1	BFAF	
Cc1cccc(C)c1O[P@](=O)(O)C(=O)O	3653717	UDMAMOSHMFXDDK-UHFFFAOYSA-N	230.156	2.546	0	1	BFAF	
COc1cc2ccn(C)c3ccnc(c1OC)c23	13299257	WDEIONNHTCDWLE-UHFFFAOYSA-N	242.278	2.744	0	1	BFAF	biogenic
O=c1cc(-c2ccccc2)[nH]c2nc(F)ccc12	13579523	JYUCERXIHOMWBK-UHFFFAOYSA-N	240.237	2.729	0	1	BFAF	
CC1=C2C[C@@]3(C)[C@@H](C)CCC(=O)[C@H]3C[C@@H]2OC1=O	14619351	IXMDYOSMFGVWJY-FWJFJICFSA-N	248.322	2.644	0	1	BFAF	endogenous,in-man
CC1(C)CCC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@@H](O)[C@H]31	169303712	VWMGBHVRRNKOAE-CJIRXYIGSA-N	238.371	2.581	0	1	BFAF	
CC(=O)N1CCc2cc(-c3cccnc3)ccc21	169348862	ABLRUBDAIDDHIM-UHFFFAOYSA-N	238.290	2.658	0	1	BFAF	
Cc1cccc(C[C@]2(C)SC(=O)[C@H](C)C2=O)c1	169719244	CHLBSFMJNDDPFR-YGRLFVJLSA-N	248.347	2.775	0	1	BFAF	
Cc1cnc2[nH]c([C@H](C(C)C)N(C)C)nc2c1	587198193	AZGAHRUFYFENBZ-NSHDSACASA-N	232.331	2.525	0	1	BFAF	
COc1cc2nc(CC3CC3)[nH]c2cc1F	587958903	GWRZZLGENPLDME-UHFFFAOYSA-N	220.247	2.663	0	1	BFAF	
c1cc(-c2ccn3cncc3c2)c2cc[nH]c2n1	1857647734	QVPJFVPURBSKEU-UHFFFAOYSA-N	234.262	2.878	0	1	BFAF	
Clc1cccc(-c2noc3c2CCNCC3)c1	1857762095	APEUNDQFHINIPD-UHFFFAOYSA-N	248.713	2.683	0	1	BFAF	
C/C(=C1/C(=O)Nc2ccc(O)cc21)c1ccc[nH]1	14962796	WJTAKRSFNCCLHP-JYRVWZFOSA-N	240.262	2.603	0	1	BFAF	
CC(C)NC(=O)/C=C1\CCc2ccc(F)cc21	27329647	GJQDTUUCZYKNCK-YRNVUSSQSA-N	233.286	2.680	0	1	BFAF	
COc1ccc([C@@H]2NN=C3CCCC[C@H]32)cc1	43123089	MWWRTYAHWODDMB-OCCSQVGLSA-N	230.311	2.886	0	1	BFAF	
Clc1cccc([C@@H]2CC=CCNC2)c1	95585403	NWTJKIVXQLVNCQ-LLVKDONJSA-N	207.704	2.973	0	1	BFAF	
C[C@@H]1C[C@@H](O)[C@@H]2[C@H]1C[C@H]1CC[C@]2(C)OC1(C)C	238735685	ZADVMZUKWWMSLQ-JWOJSXKRSA-N	238.371	2.987	0	1	BFAF	
OC[C@H]1CCCc2nc3cccc4c3c(c21)CC4	587216154	UEKJZFBIGXUKBX-LLVKDONJSA-N	239.318	2.746	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)F)O2	587381513	GLJYTJVYFLISPM-ISVAXAHUSA-N	237.274	2.659	0	1	BFAF	
C[C@]1(O)CC[C@@H](c2ccc(O)cc2)CC1	1857620048	CBGVEQAGUMQTQB-BJHJDKERSA-N	206.285	2.801	0	1	BFAF	
Brc1ccsc1Cc1c[nH]cn1	22763	WLRZYYOGSUGYGU-UHFFFAOYSA-N	243.129	2.825	0	1	BFAF	
CCCCCC[C@H]([C@@H](C)O)n1cccn1	12405527	IJCXQZWAZPGFQK-VXGBXAGGSA-N	210.321	2.775	0	1	BFAF	
FC(CNC1CCNCC1)=C1CCCCC1	13611601	SMGAFMSAHFWHIH-UHFFFAOYSA-N	226.339	2.516	0	1	BFAF	
COc1ccc2cccc(/C=C/NC(C)=O)c2c1	95593369	DRQVIDXCXZPVOA-CMDGGOBGSA-N	241.290	2.955	0	1	BFAF	
Nc1ncnc2ccc(-c3ccccc3)cc12	148880489	KLSNPRMSQXGJND-UHFFFAOYSA-N	221.263	2.879	0	1	BFAF	
O=N[C@@H]1C(=O)Nc2c1ccc(Cl)c2Cl	169721209	BRCXDQBDNVIIAO-ZETCQYMHSA-N	231.038	2.753	0	1	BFAF	
C[C@H](O)C=C[C@@H]1[C@@H](C)CC(=O)CC1(C)C	2356582150	WFSOPDPEWLYCRX-JBLDHEPKSA-N	210.317	2.565	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H](O)[C@H]12	2356613320	HGRCRWYTMFSGFV-NLRWUALESA-N	240.387	2.971	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CO[C@@]2(C)[C@@H](CO)[C@@H]13	2356723349	FXZDQECHPKFMJT-SOAFEQHCSA-N	238.371	2.702	0	1	BFAF	
CC1(C)C[C@]23C(=O)CC[C@@H](O)[C@@]2(C)CC[C@@H]13	3978576	UHRWOVVMQAASAO-PJQZNRQZSA-N	222.328	2.543	0	3	BFAF	in-vitro
c1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1	71359440	HEIRUXZPJJZCAO-UHFFFAOYSA-N	239.342	2.623	0	1	BFAF	
CCCc1cc([C@@H](O)C(F)(F)F)ccc1O	84687165	PYBQDIVTPCJVGE-SNVBAGLBSA-N	234.217	2.940	0	1	BFAF	
CC(C)OC(=O)Nc1cc2ccccc2oc1=O	96906392	BDMJDPCZOKJISW-UHFFFAOYSA-N	247.250	2.750	0	1	BFAF	
O=C1C[C@H](Sc2cccc(C(F)(F)F)c2)N1	299863611	LFMJYFUTCYRNIR-VIFPVBQESA-N	247.241	2.644	0	1	BFAF	
CCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587405276	KEYKDQZMVKIJSI-VIFPVBQESA-N	219.284	2.711	0	1	BFAF	
CC1(C)[C@H]2C[C@@](C)(O)C[C@@H]3CC[C@](C)(O)[C@@H]3[C@@H]21	2356651613	TYUOUBYXWCSPRN-LOVAHEPDSA-N	238.371	2.581	0	1	BFAF	
CC(C)(N)c1cc2cc3ccc(=O)oc3cc2o1	5357600	IFPBIHSHJPJPCA-UHFFFAOYSA-N	243.262	2.733	0	1	BFAF	biogenic
CC1(C)C[C@H]2[C@@H](CC[C@@]2(O)CO)[C@]2(C)C[C@@H]2C1	34458071	ZOWNLLHBAMMPJZ-SZWZKDINSA-N	238.371	2.582	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]1c1cnc[nH]1	36088229	SVYVZZUTGJVKNX-SNPRPXQTSA-N	240.306	2.862	0	1	BFAF	
CCC[C@@H]1CC(=O)c2ccc(O)cc2O1	299836551	NOKRIXCEWXWMLZ-SECBINFHSA-N	206.241	2.526	0	1	BFAF	
N[C@@H](N=O)c1cccnc1Oc1ccccc1	957756599	CJQFRJJOXHAWLX-NSHDSACASA-N	229.239	2.598	0	1	BFAF	
CCCCc1noc(C2=CC[C@H](C)N(C)C2)n1	1533097	WNRAOSAOOYURKP-JTQLQIEISA-N	235.331	2.520	0	1	BFAF	
CCCCCc1noc(C2=CCCN(C)C2)n1	13820163	AFYWSCRRLULCLG-UHFFFAOYSA-N	235.331	2.521	0	1	BFAF	
COc1ccc2c(c1)-c1c(C)ccnc1C2=O	238752232	UMEWJZYFUGSCTJ-UHFFFAOYSA-N	225.247	2.610	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@@]3(CO)CC[C@@]12C[C@@H]3O	238774027	GDNYODZUJONCKY-CYHVGBIXSA-N	238.371	2.582	0	1	BFAF	
CC[C@H](O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	586900874	NTTFCYHAGGMPPG-VKHMYHEASA-N	248.179	2.563	0	1	BFAF	
COc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Cl	586916824	GBYHTHWXLFBOJP-XUOSJQGZSA-N	238.674	2.685	0	1	BFAF	
CNC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12	587631082	GBYFNDNDVCLREB-UHFFFAOYSA-N	240.665	2.628	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(C[C@@H]1O)C[C@@H]1C[C@@]12C	2356582631	QRDWGAFJTAQHKE-FYPHCDFOSA-N	238.371	2.581	0	1	BFAF	
N[C]1C2=C(CCCCC2)NC2=C1CCC2	2356872606	KQCIBLJTLPDWMV-UHFFFAOYSA-N	203.309	2.736	0	1	BFAF	
CN(C)C1=NCCN1CCCC1CCCCC1	36386689	OXWGNSJBXVEFBJ-UHFFFAOYSA-N	237.391	2.580	0	3	BFAF	
Cc1ncc2c(n1)-c1ccccc1[C@@H]2n1ccnc1	13586709	BBGGTIYYIGXEIP-HNNXBMFYSA-N	248.289	2.600	0	1	BFAF	
c1ccc([C@@H]2[C@H]3CNC[C@@]23c2ccccc2)cc1	45496132	MVCAANSQOXMPQN-ZACQAIPSSA-N	235.330	2.941	0	1	BFAF	in-vivo
Cc1cccc(-n2cnc3ccc(O)nc32)c1C	118271958	NHBIMMKAZLGPIZ-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
CCc1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1	586893511	ZTOTYXWYQVDKCD-AWEZNQCLSA-N	232.327	2.989	0	1	BFAF	
CC1(C)OC(=O)C[C@@H]1c1nc2cccc(F)c2[nH]1	586910058	NPZGVBSWGOWMLV-SSDOTTSWSA-N	248.257	2.511	0	1	BFAF	
Cc1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1	586912162	UWVDVCJPVHEKRY-VIFPVBQESA-N	244.294	2.680	0	1	BFAF	
C[C@@H](Cc1nc2cccc(Cl)c2[nH]1)N(C)C	587191590	MRNSXAUOJIHNGY-QMMMGPOBSA-N	237.734	2.709	0	1	BFAF	
COc1cc2[nH]c3cc(O)ccc3c2cc1C=O	1772586292	PBESPFHPZLFJSY-UHFFFAOYSA-N	241.246	2.848	0	1	BFAF	
O=C(O)c1cc(O)c2[nH]c3ccccc3c2c1	14445248	HKOVAOLUBZZCGO-UHFFFAOYSA-N	227.219	2.725	0	1	BFAF	endogenous,in-man
CCc1nc(C)n2nc(-c3ccccc3)cc2n1	26496842	VQBZYBMRJMYAFM-UHFFFAOYSA-N	238.294	2.662	0	1	BFAF	
C[C@H](C1=Cc2ccccc2CC1)C1=NCCN1	29240532	QHNVRDAKRFFJJU-LLVKDONJSA-N	226.323	2.654	0	1	BFAF	
CN(C)CCSc1cccc(-c2ccoc2)n1	45370392	CAQQSLIUPHPLBK-UHFFFAOYSA-N	248.351	2.995	0	1	BFAF	
COc1ccc([C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CN)cc1	100822733	KMHOEPPHTBTLAR-JURCDPSOSA-N	231.339	2.784	0	1	BFAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@H](C)[C@H]1C2	257579929	VWQSEENZNJRXDR-QAUDVVSPSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCC1)O2	587403987	BWKRPLVOBZUTHW-CYBMUJFWSA-N	231.295	2.711	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](CCO)[C@@H](O)CC[C@H]12	2356395557	RQNYHDXQABTVAQ-QVHKTLOISA-N	240.387	2.972	0	1	BFAF	
C[C@@]12CC[C@@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@@H]21	16916952	UEPGLNMUFRMDAW-OLRMPSLUSA-N	220.312	2.751	0	3	BFAF	
CC1=CC[C@]2(C)CC[C@H](C(C)C)[C@]2(O)C[C@@H]1O	13432217	QUUDBBBXBWYUJP-LXTVHRRPSA-N	238.371	2.891	0	1	BFAF	biogenic
CCC[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN21	19328488	LYCOMYYBFDXJFS-MGPQQGTHSA-N	222.376	2.835	0	1	BFAF	
CC(C)CCc1cc(CCC(=O)O)ccc1O	34483365	JHHGDMMAKZRVRO-UHFFFAOYSA-N	236.311	2.998	0	1	BFAF	
COc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21	34849756	LANLSVUKINPKJD-BKDNQFJXSA-N	237.730	2.769	0	1	BFAF	
C[C@H]1C=C(CO)C(CO)=C[C@@H]2CC(C)(C)C[C@H]12	40379797	YFVJPBYYCUEIKS-MISXGVKJSA-N	236.355	2.526	0	1	BFAF	biogenic,in-vitro
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C(=O)O)[C@@H]12	95913931	OZQBIBCVAYBUAR-YCGPCKTQSA-N	240.343	2.530	0	1	BFAF	biogenic,in-vitro
CC[C@]12CCN(C)[C@@H](Cc3ccc(O)cc31)[C@@H]2C	101159964	QGWPXULEDXWEKR-KNXALSJPSA-N	245.366	2.936	0	1	BFAF	
COC(=O)[C@H](C)CC(=O)c1ccc2[nH]ccc2c1	238787850	YXIVTEXUSXUMIT-SECBINFHSA-N	245.278	2.550	0	1	BFAF	
CC(=O)[C@@H]1CCc2c1nc1cccc3c1c2CC3	587214097	OIARBGAAXBRQKS-NSHDSACASA-N	237.302	2.952	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]1([C@H](C)CO)CC[C@@]2(C)O1	2356600577	QDCOGXJHEDTDOW-BXLXJSPXSA-N	238.371	2.989	0	1	BFAF	
CCCCC[C@@](O)(C(=O)O)c1ccccc1	13586405	ATFAPMGQRYMYCT-ZDUSSCGKSA-N	222.284	2.539	0	1	BFAF	
CCn1c(-c2ccoc2)nc2cnccc21	28456920	JWJYYCQIDIUJOW-UHFFFAOYSA-N	213.240	2.711	0	1	BFAF	
C[C@H]1CCc2cc(CC(=O)O)cc(Cl)c2N1	29320950	QOPLJJSPASPGAN-ZETCQYMHSA-N	239.702	2.714	0	1	BFAF	
CC[C@H](CC[C@H]1COC(N)=N1)c1ccccc1	117264848	RPQSDDPFXSWGBK-YPMHNXCESA-N	232.327	2.674	0	1	BFAF	
C[C@@H](OCN1C=CN(C)/C1=C/N=O)C(C)(C)C	135876158	ZFCHOIXDYDKFFE-UBYNWHESSA-N	239.319	2.679	0	1	BFAF	
CCCCC1=C(C)C[C@@H]2CC[C@H]3NC(=N)N[C@@H]1[C@@H]23	238737558	OJHZDBGRMGYWJG-GHYVTOPFSA-N	247.386	2.788	0	1	BFAF	
C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2cccnc2[nH]1	587967856	UAUKBYGRNROBQJ-IVZWLZJFSA-N	211.268	2.638	0	1	BFAF	
Cc1ccnc2c1CCN[C@]21C=C(Cl)CC1	963072805	ODPYFMGULFCBLB-CYBMUJFWSA-N	234.730	2.648	0	1	BFAF	
CC=C[C@@H]1CC(=O)c2cc(C)c(O)c(C)c2O1	2356612211	XSNOKHWTJXMFKL-SNVBAGLBSA-N	232.279	2.919	0	1	BFAF	
C[N@]1[C@@H](c2cc(O)nc3ccccc23)C1(C)C	2356718160	MVNPXYACAWOCTC-XJKSGUPXSA-N	228.295	2.706	0	1	BFAF	
Nc1cc2c(N)cc(Cc3ccccc3)cc2[nH]1	13649851	GALWZNWWEACLKJ-UHFFFAOYSA-N	237.306	2.923	0	1	BFAF	
C/C=C1/C[C@@H]2C=Nc3ccccc3C(=O)N2C1	14680714	GYUDGZRJHSDPLH-ACHGEACHSA-N	226.279	2.563	0	1	BFAF	in-vitro
C[C@@]12N[C@@H](c3ccccc31)[C@@H](O)c1ccccc12	27885100	ICNAEBGGDVSIIR-HRCADAONSA-N	237.302	2.641	0	1	BFAF	
OCc1ccc2c(c1)C=C/C(=C/Cl)CO2	40834956	VKTZUNYCRLMMMT-POHAHGRESA-N	222.671	2.707	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@@H](O)C[C@@]2(C)[C@@H](O)[C@@H]31	102486390	VWMGBHVRRNKOAE-HRSNZQSQSA-N	238.371	2.581	0	1	BFAF	
CC(=O)c1ccc(O)c(CC(O)=C(C)C)c1	103557449	XBHWDGYEPSOCOH-UHFFFAOYSA-N	220.268	2.989	0	1	BFAF	biogenic,in-vitro
CN[C@@H](Cc1ccc2c(c1)OCO2)C(C)(C)C	139089140	YBMARPZCTRNEOC-ZDUSSCGKSA-N	235.327	2.592	0	1	BFAF	
CC(C)[C@@H]1Cc2[nH]c(=O)c3ccccc3c2CO1	210426803	BZZGSVOPMZGMAO-AWEZNQCLSA-N	243.306	2.625	0	1	BFAF	
COc1cc2c(cc1OC)[C@@H]1[C@@H](CCCN1C)C2	299830090	MJOABFWEIOVMIY-BONVTDFDSA-N	247.338	2.643	0	1	BFAF	
Cc1cccc2nc([C@@](C)(O)C(C)C)[nH]c12	586890004	OVHXFUHOINPKCE-ZDUSSCGKSA-N	218.300	2.735	0	1	BFAF	
CNC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12	587631816	VUMBHFVPKRLHMH-UHFFFAOYSA-N	240.665	2.628	0	1	BFAF	
CC(C)(C)CO[C@H]1OC(=O)C(Cl)=C1Cl	1857650716	HDLNHRVQXWIOKN-QMMMGPOBSA-N	239.098	2.621	0	1	BFAF	
CCCN1C2=NCCN2c2cc(C)c(C)cc21	2473788	NGDGIMXNKWNHGO-UHFFFAOYSA-N	229.327	2.709	0	3	BFAF	
CC(C)=CCNc1ncnc2c1ncn2C(C)C	13538252	PYIAEPULJKVIKA-UHFFFAOYSA-N	245.330	2.785	0	1	BFAF	
CN1C(=O)CC[C@@]2(C)c3ccccc3CC[C@H]12	40641519	DUPYOBAMKICXQY-ZFWWWQNUSA-N	229.323	2.511	0	1	BFAF	
CC1(C)C[C@H]2[C@H](C1=O)[C@@]1(C)CCC[C@@]2(C)C1=O	195428810	JADJNAKWESLSIG-UNNXFLIFSA-N	234.339	2.997	0	1	BFAF	
Cc1c(F)ccc2nc(C3=COCC3)[nH]c12	586912636	JDBKGBWQFBURBL-UHFFFAOYSA-N	218.231	2.772	0	1	BFAF	
Fc1ccccc1CCc1nc2cnccc2[nH]1	587150964	VQLCWXSACSOWLL-UHFFFAOYSA-N	241.269	2.882	0	1	BFAF	
Cn1ccc(-c2cc3c4c(cccc4n2)CC3)n1	587211533	SNABONCEORPQPM-UHFFFAOYSA-N	235.290	2.734	0	1	BFAF	
CN1Cc2cc(O)ccc2N(C)[C@@H]1c1ccoc1	653722842	ILXKIHSZEQKNED-CQSZACIVSA-N	244.294	2.566	0	1	BFAF	
Clc1cccc2c1C[C@H](C[C@@H]1CN=CN1)CC2	13862092	BMPZSZPBZNKNFC-CMPLNLGQSA-N	248.757	2.835	0	1	BFAF	
CCC(=O)c1cc(Cl)ccc1NC(C)=O	21298563	TVLHAGPGPQDDDD-UHFFFAOYSA-N	225.675	2.891	0	1	BFAF	
C[C@H]1N[C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@@H]21	27210922	FMBYQEIJDWNYNT-PGZHFOILSA-N	228.339	2.815	0	1	BFAF	
CCc1cccc(CC)c1O[C@H](C)C1=NCCN1	27705893	OXGCVSXSSWZTMU-LLVKDONJSA-N	246.354	2.580	0	1	BFAF	
C=CC(=O)OC1=C[C@@H](C2CC=CC2)CC1	84403428	YXQKJBRBCXKJTA-NSHDSACASA-N	204.269	2.976	0	1	BFAF	
CC(C)C(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@H]12	100051278	NOVRMYIRGSLBER-MOLYVOAJSA-N	220.312	2.786	0	1	BFAF	
Cc1nc(C)nc(NCc2ccc(Cl)cc2)n1	103272814	YBELYWWKUXJBNG-UHFFFAOYSA-N	248.717	2.754	0	1	BFAF	
CC1(C)[C@H]2CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@@H]3[C@@H]21	238736263	DWNPMJOWAWGIMM-UVGOUCATSA-N	238.371	2.581	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@@]3(C)CCC(C(=O)O)=C3[C@@H]2C1	2356387614	APVSRGRSDSBWMN-FTGAXOIBSA-N	248.322	2.803	0	1	BFAF	
CN1CCC[C@H]1Cc1c[nH]c2cc(O)ccc12	27419380	FQBIMXGNFGCBJM-NSHDSACASA-N	230.311	2.510	0	1	BFAF	
Fc1ccc(/C=C/c2ncnc3[nH]cnc23)cc1	28115290	QUTNZZOCHSVJRB-ZZXKWVIFSA-N	240.241	2.662	0	1	BFAF	in-vivo
NC1=C2CCCCC2=N[C@H]2CCCC[C@H]12	28348531	TUHKKEQPFQTBQG-ONGXEEELSA-N	204.317	2.787	0	1	BFAF	
c1ccc2c(c1)C1c3ccccc3C2[C@@H]2N[C@@H]12	100798759	NIKRFKKUKZETAQ-CKUJCDMFSA-N	219.287	2.618	0	1	BFAF	
CCc1cc2[nH]c(=O)c(C)c(C)c2c(CC)n1	138189125	GQEYXAQYANYHRF-UHFFFAOYSA-N	230.311	2.665	0	1	BFAF	
COc1ccc(C)c(C(=O)Nc2ccccn2)c1	299834728	STVDJGSVICWVHE-UHFFFAOYSA-N	242.278	2.651	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(CO)cc2[nH]1	586890829	PKDGNOQSWOSXLK-YGRLFVJLSA-N	230.311	2.959	0	1	BFAF	
CC1=C([C@](C)(O)CO)CCC2=CCC[C@@H](C)[C@H]21	2356475906	UVGQAUJBBOTIHR-WKPIXPDZSA-N	236.355	2.813	0	1	BFAF	
CC1=CC2=CC(C)(C)C[C@]2(O)[C@](C)(O)C12CC2	2356607768	QBVVHCHYSZWSDG-UKRRQHHQSA-N	234.339	2.565	0	1	BFAF	
Cc1oc(=O)c(-c2c[nH]c3ccccc23)cc1O	2356859315	STDSWUGHNCYCJZ-UHFFFAOYSA-N	241.246	2.802	0	1	BFAF	
O=Cc1cc2c(cc1O)[nH]c1ccc(O)cc12	13482914	RCFXXMDGOAHNQH-UHFFFAOYSA-N	227.219	2.545	0	1	BFAF	endogenous,in-man
CNC(=S)C1=CC(C)(C)Oc2ccccc21	29394556	JDDZQIFJTLYQIK-UHFFFAOYSA-N	233.336	2.788	0	1	BFAF	
NCCCCCCCCNC1=NCCCCC1	64448359	KCOBFOPOVUQNMU-UHFFFAOYSA-N	239.407	2.848	0	1	BFAF	
C[C@@H]1OC(=O)c2[nH]cc3nc4ccccc4c-3c21	100728938	LWJDRJWRUYBPPK-ZETCQYMHSA-N	238.246	2.899	0	1	BFAF	
C[C@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@@H]12	100898995	FMBYQEIJDWNYNT-NCYKFVRASA-N	228.339	2.815	0	1	BFAF	
Clc1ccc(Nc2n[nH]c3cccnc23)cn1	118721684	TZNIMYAKTXVPNF-UHFFFAOYSA-N	245.673	2.750	0	1	BFAF	
COc1cccc2c3c([nH]c12)CC[C@H](N(C)C)C3	169346206	AFJJJSQQXRJXRQ-JTQLQIEISA-N	244.338	2.595	0	1	BFAF	
CCOC(=O)C[C@H](c1ccccc1)[C@H](C)N=O	169690129	ZFNVLHCLZAHKKO-JQWIXIFHSA-N	235.283	2.878	0	1	BFAF	
C[C@H]1CC[C@@H]2[C@H]1C[C@H](C(C)(C)O)CC[C@@]2(C)O	238776150	NAGNILQBMVLGAF-GGAZOKNXSA-N	240.387	2.971	0	1	BFAF	
Cc1cc2nc(/C=C/C=C/C(=O)O)[nH]c2cc1C	587969691	VGGGQZJWDMRNES-GGWOSOGESA-N	242.278	2.834	0	1	BFAF	
Nc1cccnc1-c1ccc2[nH]ccc2c1	1239691654	NOSWQQIFMHVGEA-UHFFFAOYSA-N	209.252	2.812	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@@](C)(O)[C@H]2CC1	2356507978	NABFWTUELQMMDP-SBJFKYEJSA-N	238.371	2.747	0	1	BFAF	
C1=Nc2ccccc2/C1=C/NNc1ccccn1	13122479	QHXVJGQVPIRXPH-ZHACJKMWSA-N	236.278	2.755	0	3	BFAF	
CCCN(CCC)[C@@H]1CCc2nc(N)ccc2C1	13742651	QDXLLGQCGFUDMI-CYBMUJFWSA-N	247.386	2.643	0	1	BFAF	
C[C@]12N[C@H](Cc3ccc(O)cc31)c1ccccc12	27885537	IQDJALWOLAOJAH-HZPDHXFCSA-N	237.302	2.856	0	1	BFAF	
Fc1ccc2c([C@H]3CNCC[C@H]3F)c[nH]c2c1	29391863	HGYQATXPDPUIQH-VXGBXAGGSA-N	236.265	2.722	0	1	BFAF	
CCCCNc1nc(N2CCCC2)ncc1C	82212700	AGIGAYLAXQSXPT-UHFFFAOYSA-N	234.347	2.597	0	1	BFAF	
C/C1=C\CC(C)(C)[C@@H](O)[C@H]2C[C@@]2(C)[C@@H](O)CC1	101511831	RKDPETZBSSPSSM-SSHMBCCFSA-N	238.371	2.891	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H]3[C@@H](O)C[C@@]2(C)[C@@H](O)[C@@H]31	102486386	VWMGBHVRRNKOAE-HJFKDUGFSA-N	238.371	2.581	0	1	BFAF	
CC(C)=CCc1cc(/C=C\C(=O)O)ccc1O	111470834	HZKNHDLUFBYIQN-YVMONPNESA-N	232.279	2.999	0	1	BFAF	
c1ccc(-c2csc(-c3ncccn3)n2)nc1	1857756683	UHQJSZBFLHDJFZ-UHFFFAOYSA-N	240.291	2.662	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]12CC=C(CO)[C@H](O)C2	2356325086	MTFXKUDGSGWVIS-MHEUCROKSA-N	238.371	2.748	0	1	BFAF	
C[C@@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@H](O)[C@@]2(C)[C@H]1C3	2356466411	FIVPPSZIBGBQNB-ZOMUANAPSA-N	238.371	2.581	0	1	BFAF	
CC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](CC)O1	199212799	TZXXHSXUTRRYGL-RKDXNWHRSA-N	240.299	2.528	0	3	BFAF	
c1ccc(C[n+]2ccc3c(c2)CCCC3)cc1	1616011	PTBXMTQRHDVTCA-UHFFFAOYSA-N	224.327	2.901	0	1	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@@]3(O)C[C@@H](C)[C@@H]2CC1	14453928	RWJJVKLAZRADKP-VPJDZLOFSA-N	248.322	2.705	0	1	BFAF	
C[C@H]1CC[C@H]2C(C)(C)CC(=O)C[C@@]2(C)O1	14616542	VXIZSNZJQJVFMK-XHVZSJERSA-N	210.317	2.949	0	1	BFAF	endogenous,in-man
CCC[n+]1cccc2c1CC[C@H]1C[C@@H](O)CC[C@@H]21	26277050	JBJOLGADJZFNKD-MELADBBJSA-N	246.374	2.575	0	1	BFAF	
N[C@@H]1[C@H]2CC[C@@H]1C[C@@H]2c1ccc(Cl)nc1	28638472	INLFGRVNSNAIRT-LZDMXVKQSA-N	222.719	2.576	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1CO	38255117	ZJGNAABKLYYISO-PWNZVWSESA-N	238.371	2.748	0	1	BFAF	
CC[C@@]1(C(=O)NC(C)C)[C@H](C)C1(Cl)Cl	103297038	MISGYOHQVPVOLA-CBAPKCEASA-N	238.158	2.731	0	1	BFAF	
CSCC(C)(C)c1nc2cccc(O)c2[nH]1	586968274	BFXVQOWJFJKMTG-UHFFFAOYSA-N	236.340	2.909	0	1	BFAF	
N[C@H](N=O)c1ccc(Oc2ccccc2)nc1	957756846	USAQSPOQDCQCOD-GFCCVEGCSA-N	229.239	2.598	0	1	BFAF	
Cc1cccc2c1C1=NCCCN1C(=S)S2	1857600072	DTQBFVCDRLUECE-UHFFFAOYSA-N	248.376	2.838	0	1	BFAF	
O=c1oc(NC2CCCCC2)nc2ccccc12	1585633	JKLLSHLTRBAEJE-UHFFFAOYSA-N	244.294	2.933	0	1	BFAF	
O=C1C[C@H]2CCCN2[C@@H](c2ccccc2)C1	1622283	DGWLWWJWBGJWPY-TZMCWYRMSA-N	215.296	2.555	0	1	BFAF	
CN1CC[C@H]2C[C@@H](Cc3ccccc32)C1	169332214	HAFOCRMCQBVAMT-YPMHNXCESA-N	201.313	2.668	0	1	BFAF	
OCCCCc1cc2c3c(cccc3n1)CC2	587214866	FALBEXDRZUPUHU-UHFFFAOYSA-N	227.307	2.648	0	1	BFAF	
Cc1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2c1	587968130	LDOBSYZEDMCPEZ-ZUVMSYQZSA-N	228.251	2.525	0	1	BFAF	
C[C@H]1CCCc2c(-c3ccccc3)nc(=N)[nH]c21	1857605722	KBWMQRHXUDLDNF-JTQLQIEISA-N	239.322	2.996	0	1	BFAF	
CO[C@@H]1C=C[C@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@@]21O	2356365788	RVTBEMIQJSHHIE-BWUPISOPSA-N	248.366	2.765	0	1	BFAF	
C=CN(CC)CC(=O)Nc1c(C)cccc1C	2356858945	TXEIHNNJACYVDP-UHFFFAOYSA-N	232.327	2.707	0	1	BFAF	
CN[C@@]12CCCC[C@H]1CCc1ccc(O)cc12	26152923	NUNUKMHQMWIAIX-WFASDCNBSA-N	231.339	2.943	0	1	BFAF	
Cc1ccc2c(c1)CC[C@@H]1[C@H]2CCC(=O)N1C	40466822	XDOWUVXUVBBNIH-UONOGXRCSA-N	229.323	2.646	0	1	BFAF	
O=Cc1ccc(Oc2ccccc2O)o1	95912195	QIFRSBMUAJVROS-UHFFFAOYSA-N	204.181	2.590	0	1	BFAF	biogenic,in-vitro
Oc1cccc([C@]23CCCN[C@@H](CC2)C3)c1	101755949	IXIRITGIJAZPRO-GXTWGEPZSA-N	217.312	2.566	0	1	BFAF	
Cc1nc(C)c2c(O)n(-c3ccccc3)ncc1-2	101901996	PZYKAGKYUKTTEZ-UHFFFAOYSA-N	239.278	2.695	0	1	BFAF	
O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1c1ccccc1	105035442	PWQBPEKAJJSVFH-FVCCEPFGSA-N	214.264	2.677	0	1	BFAF	
CC[C@H](O)c1nc2ccc(C(C)(C)C)nc2[nH]1	586900059	APPNFMGUWFTIED-VIFPVBQESA-N	233.315	2.699	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2cccc(O)c2[nH]1	586914573	WMWOEYLFXKAJPO-JOYOIKCWSA-N	246.310	2.941	0	1	BFAF	
N[C@@H](N=O)c1c[nH]c2cc(Cl)ccc12	957601984	ZOCHMAVQGGHXAI-VIFPVBQESA-N	209.636	2.545	0	1	BFAF	
OCc1ccc2c(c1)C=CC(=CCl)CO2	2356606565	VKTZUNYCRLMMMT-UHFFFAOYSA-N	222.671	2.707	0	1	BFAF	
C[C@@H]1N[C@@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@@H]21	27207531	FMBYQEIJDWNYNT-KRIGXSBLSA-N	228.339	2.815	0	1	BFAF	
COc1c(C)ccc2c1CC[C@H]2c1ncc[nH]1	29046249	DHMOWBLMIPAURS-GFCCVEGCSA-N	228.295	2.805	0	1	BFAF	
Oc1ccc(F)cc1Cc1cc(F)ccc1O	29222012	RCGZHKLLTKHJGX-UHFFFAOYSA-N	236.217	2.967	0	1	BFAF	
CCCCC[C@@H]1[C@@H]2Cc3c(n[nH]c3C(=O)O)[C@@H]21	84687800	LRSWOBPCCZMIMT-KHQFGBGNSA-N	234.299	2.574	0	1	BFAF	
C/C(CO)=C1/CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@@H]13	257561799	VCKNBYBUMOAFMV-IEFCFDRJSA-N	236.355	2.502	0	1	BFAF	endogenous,in-man
C/C(N)=C/c1cc2c3c(cccc3n1)CC2	587211103	LUVDAIMDGWXSMF-CLFYSBASSA-N	210.280	2.653	0	1	BFAF	
CC[C@@H](C)c1nc2cc3cn[nH]c3cc2[nH]1	587954761	CEHVPRGFRDUTDO-SSDOTTSWSA-N	214.272	2.953	0	1	BFAF	
Cc1n[nH]cc1CN[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C	1857629655	ABTZCBPJAZRERD-WBMYTEFPSA-N	247.386	2.878	0	1	BFAF	
COc1cccc(CCc2ccc(O)cc2)c1O	13340833	ONFZEXJNGDWHGC-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	biogenic
CC[C@@H]1[C@H](O)C[C@@H]2CCC[C@@H]3CCC[C@@]1(C)N23	14677247	OCKFTNZOPPWTQJ-XLWJZTARSA-N	237.387	2.943	0	1	BFAF	biogenic
CCCCNc1nc2cccc(C)c2c(=O)o1	27524306	AHRCCNLRAVOCCI-UHFFFAOYSA-N	232.283	2.708	0	1	BFAF	
CCC(=O)C(Cc1ccc(OC)cc1)C(=O)CC	33494091	DPBJLIJJKUKOGA-UHFFFAOYSA-N	248.322	2.812	0	1	BFAF	
CCCCc1noc(C2=CC[C@@H]3CC[C@@H]2N3C)n1	100655069	HIHAAFSTCBQDDZ-PWSUYJOCSA-N	247.342	2.662	0	1	BFAF	
C[C@H]1CC[C@@]2(O1)[C@H](C)[C@@H](O)CCC2(C)C	238750290	AENZJJQTCRHKBT-SRRSOLGSSA-N	212.333	2.741	0	1	BFAF	
CC(C)[C@@H](c1nc2cccc(O)c2[nH]1)N(C)C	587198340	FPVPZSWKABRETN-LBPRGKRZSA-N	233.315	2.527	0	1	BFAF	
N[C@H](N=O)c1ccc2[nH]c(-c3ccco3)nc2c1	957950702	RKHUHLNJPZTSOW-LLVKDONJSA-N	242.238	2.547	0	1	BFAF	
COC(=O)c1ccc2c(C)ccccc1-2	14590413	VECUFUHSQSGXTO-UHFFFAOYSA-N	200.237	2.886	0	1	BFAF	biogenic
CSc1nc(NCC(C)C)c2cccnc2n1	27653537	JEFSJFGGLPGJEN-UHFFFAOYSA-N	248.355	2.815	0	1	BFAF	
O=c1c2c(nc3n1CCCCC3)CCCCCC2	29335817	XXXSHXCCZQCCLR-UHFFFAOYSA-N	246.354	2.629	0	1	BFAF	
Clc1ccc([C@@H]2CC[C@H]3CC[C@H]2N3)cn1	100011128	OPJHXZMPMOOVSN-GARJFASQSA-N	222.719	2.733	0	1	BFAF	
Cc1[nH]nc(Nc2ccnc3[nH]ccc23)c1C	230565903	SUFCXVOCIXGJIT-UHFFFAOYSA-N	227.271	2.646	0	1	BFAF	
CCCC1(c2nc3cc[nH]c(=N)c3[nH]2)CCC1	586877903	WAYHKWBGCKTTCF-UHFFFAOYSA-N	230.315	2.592	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2cnc3ccccc3c2[nH]1	586916916	IOSCQSQEBWKJLW-JVXZTZIISA-N	225.251	2.571	0	1	BFAF	
CN(C)c1ncccc1-c1nc2ccccc2[nH]1	587195936	PHMFPCMLGCQTDZ-UHFFFAOYSA-N	238.294	2.691	0	1	BFAF	
Cc1nc[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C	653786697	PBJZRRVFAQNCME-GWNIPJSYSA-N	247.386	2.878	0	1	BFAF	
Cc1ccc(-c2csc(C[C@@H](N)N=O)n2)cc1	958040020	ZFSRJSLOCOGNFA-NSHDSACASA-N	247.323	2.712	0	1	BFAF	
C[C@@H](CO)[C@]12CC[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1C2	2356600579	QDCOGXJHEDTDOW-RBTXIFOQSA-N	238.371	2.989	0	1	BFAF	
CC(=O)N[C@@]1(C)CC[C@H]2C[C@H]1C(C)=NC2(C)C	1622609	AKRBICRIVVVNDO-OBJOEFQTSA-N	236.359	2.551	0	3	BFAF	
CCN(CCO)C[C@@H]1CCC[C@@H]2CCCC[C@H]21	3954655	OMNYFBVXUCYWNL-SOUVJXGZSA-N	239.403	2.907	0	3	BFAF	
CCNC(=O)/C=C/c1cccc(C(F)(F)F)c1	2009149	FCIHMGBPVMONLW-VOTSOKGWSA-N	243.228	2.855	0	1	BFAF	
c1ccc2c(c1)ccc1oc(C3=NCCN3)cc12	13805914	YIWNOGBGZJDPBM-UHFFFAOYSA-N	236.274	2.936	0	1	BFAF	
Fc1ccc2c(c1)C=C(C[C@H]1CN=CN1)CC2	13862062	WWUPWXOAAVDTKR-AWEZNQCLSA-N	230.286	2.546	0	1	BFAF	
CC[C@H](C)c1ccc([C@H](O)[C@@H](C)O)cc1	14593150	KYAXSLCXEJFPBA-OPQQBVKSSA-N	208.301	2.614	0	1	BFAF	biogenic
C[C@@H]1C[C@H](O)[C@H]2[C@H]1C[C@H]1CC[C@@]2(C)OC1(C)C	256516066	ZADVMZUKWWMSLQ-CDWXYHGHSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
C[C@@H](CC(=O)O)c1cc2c3c(cccc3n1)CC2	587214699	DIFIXZJLESKQTD-VIFPVBQESA-N	241.290	2.912	0	1	BFAF	
CC[C@H](C)c1nc2cc3c(cc2[nH]1)OCO3	587955434	JBXSVYUZMNIHII-ZETCQYMHSA-N	218.256	2.805	0	1	BFAF	
c1cnc(-c2nc(-c3ccco3)cs2)nc1	1857641672	CAHQZYXVLGMQBD-UHFFFAOYSA-N	229.264	2.860	0	1	BFAF	
Cc1cc(O)c(C(C)C)c2c1C(=O)[C@H](O)[C@@H](C)C2	13482809	ZQPNXVQVWRIUIH-LKFCYVNXSA-N	248.322	2.560	0	1	BFAF	biogenic
COc1cc(OC)c2c(c1O)OC(C)(C)C=C2	14779953	GEKMDVRGRBCFGW-UHFFFAOYSA-N	236.267	2.594	0	1	BFAF	biogenic
Cc1ccc2sc3nnnc-3c(O)c2c1C	26377481	VXYPDBMJEOFXBS-UHFFFAOYSA-N	231.280	2.514	0	1	BFAF	
Fc1ccc2c(c1)CC[C@H]1[C@H]2N=C2SCCN21	28770743	HDQBMBJLYOGRAR-RYUDHWBXSA-N	248.326	2.600	0	1	BFAF	
C/C(=C\CO)CC/C=C(\C)CCCN(C)C	28899145	DHLUBBQTPDVPMM-SEWRKBRGSA-N	225.376	2.993	0	1	BFAF	
C[C@H]1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	38339839	AUJXCAHQNJMMHO-GGAZOKNXSA-N	240.387	2.971	0	1	BFAF	
C[C@H]1C[C@@]2(C)C[C@@H](Cc3ccccc32)N1C	103024126	UUIHLUKORNVGJW-LNSITVRQSA-N	215.340	2.983	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2C[C@@H]1O	238733505	DGZPYTSARMEKSO-YTFOTSKYSA-N	238.371	2.747	0	1	BFAF	
Cn1cc2c3c(c(Cl)c4ncoc4c31)NCC2	238751835	ZJTBGSMXFSCGFE-UHFFFAOYSA-N	247.685	2.941	0	1	BFAF	
C1=CS/C(=C2\C=Nc3ccccc32)N1	584905391	IUBODNCSFJZWGR-PKNBQFBNSA-N	200.266	2.879	0	1	BFAF	in-vitro
CC[C@H](O)c1nc2cc(Cl)cc(F)c2[nH]1	586901704	YRASNDPNVKSVDZ-QMMMGPOBSA-N	228.654	2.799	0	1	BFAF	
NC(=O)c1ccccc1Nc1ccccc1F	1173847337	ZCCPPZXVWYNPCX-UHFFFAOYSA-N	230.242	2.668	0	1	BFAF	
OC1(CC2CCNCC2)C2CC3CC(C2)CC1C3	1772601239	NAHDXHKSQOUPFQ-UHFFFAOYSA-N	249.398	2.563	0	1	BFAF	
CC=CC=CC[C@H](O)[C@H](O)CCC=CC	2356728649	QNDZUEJNXSSXCA-OLZOCXBDSA-N	210.317	2.587	0	1	BFAF	
CC1=CC[C@H]2CO[C@H](C3=CN(C)[CH]C=C3)[C@H]1C2	2356839928	WIRBGWWBHDAHTD-VHDGCEQUSA-N	230.331	2.905	0	1	BFAF	
COc1cc(C(F)(F)F)c2c(=O)cc[nH]c2c1	27866173	WWVBYVFWHJVADV-UHFFFAOYSA-N	243.184	2.556	0	1	BFAF	
Cn1cnc2ccc(-c3ccccc3)c(CN)c21	29125126	SLVXBXBDZKPNGX-UHFFFAOYSA-N	237.306	2.699	0	1	BFAF	
CN1C[C@H](c2ccc(Cl)cc2)CCC1=O	29553840	QCCANQQHOCXGTL-SNVBAGLBSA-N	223.703	2.676	0	1	BFAF	in-vivo
CC(=O)NCCc1csc2ccc(F)cc12	71331952	BGEUHXQJMMIBOC-UHFFFAOYSA-N	237.299	2.719	0	1	BFAF	
Nc1ncnc2sc3c(c12)Cc1ccccc1-3	72123407	MVRGPOVOTMDPGM-UHFFFAOYSA-N	239.303	2.845	0	1	BFAF	
CCCCCC[C@H](O)c1cccc(O)c1CO	169352307	YFHSCNMWYNQDGC-ZDUSSCGKSA-N	238.327	2.888	0	1	BFAF	
Cc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1F	586889994	OUJNWGVNISJOMG-ZDUSSCGKSA-N	236.290	2.874	0	1	BFAF	
N=c1cc(-c2cc3c4c(cccc4n2)CC3)cc[nH]1	587210789	HXDVEDWBDPXHCX-UHFFFAOYSA-N	247.301	2.808	0	1	BFAF	
CC=C[C@@H]1C[C@H](C)[C@@]2(C=C[C@](C)(O)CC2)O1	2356867464	WRZUFIHOTBWJST-CRWXNKLISA-N	222.328	2.827	0	1	BFAF	
CC1=NN=C2C[C@@H](c3ccccc3)CC(NO)=C12	103919434	YONJDOCKCMAOPA-LLVKDONJSA-N	241.294	2.627	0	3	BFAF	
O=C1CCCC2=Nc3ccccc3S[C@@H]12	17917022	ZNFWXGFMLGEOGM-GFCCVEGCSA-N	217.293	2.986	0	1	BFAF	
CSc1n[nH]c2c1c(C)nn2-c1ccccc1	18208685	HQJNDZZYKKRAJA-UHFFFAOYSA-N	244.323	2.779	0	1	BFAF	
C=COC(=O)C(C)(C)Cc1ccccc1	95919374	RZDKEXUVTRLISO-UHFFFAOYSA-N	204.269	2.942	0	1	BFAF	biogenic,in-vitro
Cc1ccnc2cc3c(cc12)[C@@H]1CNC[C@@H]3C1	101057853	UQXJKZHLOQRMTO-QWRGUYRKSA-N	224.307	2.717	0	1	BFAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1[C@@H](O)C[C@@H](C)[C@H]1C2	104355696	VWQSEENZNJRXDR-UMBPPFEGSA-N	238.371	2.987	0	1	BFAF	in-man
CC(C)(O)C[C@@H]1c2ccccc2-c2cncn21	205794749	JNNMYZDYWKIDMJ-GFCCVEGCSA-N	228.295	2.614	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1[C@@H](CCCN1C(C)=O)C2	299829571	LOOWWSAZIWKCIJ-WFASDCNBSA-N	245.322	2.551	0	1	BFAF	
Cc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1F	586917633	UGZOUIZKRSOESE-UHFFFAOYSA-N	246.285	2.904	0	1	BFAF	
Cc1c(F)ccc2c1[C@@]1(CCOC[C@@H]1C)NCC2	962303942	YPDNWZYHSKHUMJ-BONVTDFDSA-N	249.329	2.532	0	1	BFAF	
C[C@@H]1CC[C@@H](CO)C(CO)=C2CC(C)(C)C[C@H]21	14769088	DUUZWEOWPLXBAR-WOPDTQHZSA-N	238.371	2.750	0	1	BFAF	biogenic
CC[C@@]1(C)C[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1	586892812	WUBFPWOMBJNPHZ-XPTSAGLGSA-N	242.326	2.751	0	1	BFAF	
N[C@@H](N=O)c1ccc(OCc2ccccc2)cc1	957756584	BFUHXRGCUDTLAO-AWEZNQCLSA-N	242.278	2.989	0	1	BFAF	
CC(C)C(=O)O[C@@H]1C[C@H]2C(=O)C[C@@]1(C)C2(C)C	2356717312	OHPJGLFLDMKGHR-DRCTWCGVSA-N	238.327	2.579	0	1	BFAF	
COc1ccc2c(c1O)Cc1ccccc1C2=O	481572	QRVPTSZEZWROEV-UHFFFAOYSA-N	240.258	2.536	0	3	BFAF	
CCOc1ccc(-c2cnc3cccnn23)cc1	61907483	DGQIQEMMFJLXDW-UHFFFAOYSA-N	239.278	2.795	0	3	BFAF	
CC1(C)[C@H]2C=C[C@]1(C)C1(CC2)OCCO1	1636244	PUAQBSTWKFCNRV-JQWIXIFHSA-N	208.301	2.742	0	1	BFAF	
CCCN(CCC)[C@H]1Cc2ccc(O)cc2C1	13471353	CGVTXQCPDIZHAI-AWEZNQCLSA-N	233.355	2.981	0	1	BFAF	
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@H]3C(=C12)OC(=O)[C@@H]3C	14619375	UJAUGIJBYGGHNV-MSFDSXBXSA-N	246.306	2.625	0	1	BFAF	biogenic
Nc1c2c(nc3cccc(Cl)c13)OCCC2	27416383	LQNVTFVXRZCQBF-UHFFFAOYSA-N	234.686	2.795	0	1	BFAF	
C[C@@H]1CCCC(C)(C)[C@]1(O)/C=C/C=C\C(=O)O	28875687	XRNXMVZXLFUIQI-KGVNQSSRSA-N	238.327	2.761	0	1	BFAF	
CNC1(c2ccccn2)C2CC3CC(C2)CC1C3	64437063	ZNQDRHNYMVUEHQ-UHFFFAOYSA-N	242.366	2.952	0	1	BFAF	
CCc1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1	587189298	BCVBFUIYLFSTEL-SNVBAGLBSA-N	231.343	2.618	0	1	BFAF	
CCCC[C@@]1(COC)NCCc2c(C)ccnc21	963071034	ITOGMKNUNUGQGN-HNNXBMFYSA-N	248.370	2.568	0	1	BFAF	
Oc1cc(O)nc(/C=C/c2ccccc2)c1	1857652787	BQTNURFYHRRXMN-VOTSOKGWSA-N	213.236	2.663	0	1	BFAF	
CCCC[C@@H]1Oc2cc(OC)ccc2C1=O	1857763695	JZMDKYFXQCRJHM-NSHDSACASA-N	220.268	2.829	0	1	BFAF	
CC=C[C@H]1C[C@@H](O)c2cc(C)ccc2O1	2356461824	VQTRDZXQXYYUPP-CMPLNLGQSA-N	204.269	2.756	0	1	BFAF	
CCCc1cc(OC)cc(O)c1C(=O)OCC	5844494	ZTEGMSJYDACIAV-UHFFFAOYSA-N	238.283	2.530	0	1	BFAF	biogenic
CC(C)C/C=C1\OC(=O)C2=CC=CC[C@@H]21	13462910	XUAVGKDSFAWBLN-UVIKPUKZSA-N	204.269	2.976	0	1	BFAF	endogenous,in-man
CNc1ccc2c(c1)-c1ccccc1S2(=O)=O	26182687	VTMABLMMPFVLCC-UHFFFAOYSA-N	245.303	2.542	0	1	BFAF	
FC(F)(F)[C@@H]1C=CC=C([C@H]2CCNC2)C1	26499430	GTXIQJYCGBFZND-VHSXEESVSA-N	217.234	2.661	0	1	BFAF	
CCOCn1ccc2c3oncc3ccc21	42920262	XFGKEYXOHLTWJV-UHFFFAOYSA-N	216.240	2.777	0	1	BFAF	
Oc1ccc2c(c1)-c1nccc3ccnc-2c13	72109963	CTGUKNNRGTZRCB-UHFFFAOYSA-N	220.231	2.983	0	1	BFAF	
CCN[C@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]5C[C@H]([C@@H]42)[C@]1(CC)[C@H]53	101356504	JWACGMVTPOOTMF-WARFFHDDSA-N	217.356	2.523	0	1	BFAF	
C[C@@H]1Oc2c(Cl)cc(CC(=O)O)cc2[C@@H]1C	169345385	SCZDGNHGDDSKQC-RQJHMYQMSA-N	240.686	2.852	0	1	BFAF	
Cc1ccnc2[nH]c([C@H](C(C)C)N(C)C)nc12	587198721	LGPFMQYPRVRDBD-NSHDSACASA-N	232.331	2.525	0	1	BFAF	
CNC(=O)Nc1cc(Oc2ccccc2)ccn1	1857535214	RJBBFBBZBQOMKF-UHFFFAOYSA-N	243.266	2.625	0	1	BFAF	
COC(=O)C=C[C@@H]1c2ccccc2[C@@H](OC)[C@@H]1C	1857623099	CMKYBWAWPBVWFW-ZETOZRRWSA-N	246.306	2.837	0	1	BFAF	
Cc1cc(CCc2ccccc2)cc(=O)o1	27101127	ZXDAEXJNTZKPOU-UHFFFAOYSA-N	214.264	2.733	0	1	BFAF	
Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)NCC3	29391852	IYNWSQDZXMGGGI-BPUTZDHNSA-N	243.350	2.738	0	1	BFAF	
CC(=O)NCCc1ccc2c(c1)C=CC(C)(C)O2	238755591	XGHPBCGPQMNHDP-UHFFFAOYSA-N	245.322	2.549	0	1	BFAF	
COc1cc(O)c(C=C(C)C)c(OC)c1OC	238774620	WFAJYEPIRPEAOT-UHFFFAOYSA-N	238.283	2.841	0	1	BFAF	
N[C@H]1C[C@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12	252426878	PXBYQBLMVYZPGE-PBXRRBTRSA-N	243.203	2.711	0	1	BFAF	
CO[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1	587212766	CNKMPMBHEFMFKF-LLVKDONJSA-N	239.318	2.837	0	1	BFAF	
CCOCCOCc1nc2c(C)ccc(C)c2[nH]1	587778996	STPYVJFAHJSGIB-UHFFFAOYSA-N	248.326	2.733	0	1	BFAF	
CC[C@H](C)c1nc2ccc(C(=O)OC)cc2[nH]1	587956753	VVTNIFAKNLUANI-QMMMGPOBSA-N	232.283	2.863	0	1	BFAF	
CCCCNC(=O)c1cc(CCC)sc1N	1772632351	GZOXATNOBGFSRW-UHFFFAOYSA-N	240.372	2.813	0	1	BFAF	
CC1=C([C@](C)(O)CO)CCC2=CCC[C@H](C)[C@H]21	2356475904	UVGQAUJBBOTIHR-NZVBXONLSA-N	236.355	2.813	0	1	BFAF	
C[C@@H]1CC[C@H]2[C@@]3(O)[C@@H]1CC[C@@]3(C)C[C@@]2(C)CO	2356684054	IXPRLIUGGYJMBP-JNWWKETESA-N	238.371	2.582	0	1	BFAF	
CCN(CC)c1[nH]c2ccccc2c(=O)c1C	482065	QKEPWROSJUIOIL-UHFFFAOYSA-N	230.311	2.683	0	1	BFAF	
Oc1cc2c(cc1Sc1cccnc1)OCC2	25975814	LCSGDSTWIVCWAQ-UHFFFAOYSA-N	245.303	2.873	0	1	BFAF	
COc1ccc2c(c1)[C@]1(N)CCCC[C@H]1CC2	26150092	IDMWBLWTWIEBSD-WFASDCNBSA-N	231.339	2.986	0	1	BFAF	
CCCN1CCC[C@@H]2c3ccc(O)cc3OC[C@H]21	27850541	CQEATFKLDYHKCI-TZMCWYRMSA-N	247.338	2.743	0	1	BFAF	
c1ccc(Nc2ccccc2-c2nnn[nH]2)cc1	39215266	OIADYFORTLTIGA-UHFFFAOYSA-N	237.266	2.610	0	1	BFAF	
COc1ccc(C2=NC(C)(C)C(C)(C)N2[O])cc1	102177391	OOFKXHCSOTWUFS-UHFFFAOYSA-N	247.318	2.660	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@H]2CO	147323970	MLWFPIRGSGERCY-PAPYEOQZSA-N	240.387	2.972	0	1	BFAF	
CC[C@H]1N(c2ccc(OC)cc2)C(=O)C1(C)C	169324243	SXOSNNLXSHSMBZ-GFCCVEGCSA-N	233.311	2.847	0	1	BFAF	
CC1=C2C[C@H]3O[C@@]3(C)[C@H]2[C@@H]2OC(=O)C(C)=C2CC1	238754117	UHDFWCWSGUBZKZ-RGCMKSIDSA-N	246.306	2.516	0	1	BFAF	
O=C(c1ccc(O)cc1)c1cc(Cl)ccc1O	584904858	AXWPSTUQDSXPCN-UHFFFAOYSA-N	248.665	2.982	0	1	BFAF	in-vitro
C[C@H](Cc1nc2cccc(Cl)c2[nH]1)N(C)C	587191589	MRNSXAUOJIHNGY-MRVPVSSYSA-N	237.734	2.709	0	1	BFAF	
CCCC/C=C/c1nc2ccc(C(N)=O)cc2[nH]1	587965816	PNJFGBZTOADGHB-AATRIKPKSA-N	243.310	2.865	0	1	BFAF	
Cc1ccc2oc(=O)ccc2c1-n1cccc1	73106038	QDOAJSGGNSKEHM-UHFFFAOYSA-N	225.247	2.892	0	1	BFAF	
Cc1cc(Cc2ccccc2)oc(=O)c1	144377779	WFYCCNGMMNQOLT-UHFFFAOYSA-N	200.237	2.539	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H]1[C@H]1O[C@@H]2CC[C@@]1(C)O	238738838	YEBFCABPNPSILV-RUDNTAQLSA-N	238.371	2.987	0	1	BFAF	in-vitro
CC1=CC[C@@H]2[C@@H]([C@@H]1O)[C@H](C(C)C)CC[C@@]2(C)O	238751986	UWHNWJPJCCVVKQ-XPABHHOTSA-N	238.371	2.747	0	1	BFAF	
c1cc2c3c(cc([C@@H]4CCOC4)nc3c1)CC2	587215950	QDCDDGFHXZKJPR-GFCCVEGCSA-N	225.291	2.837	0	1	BFAF	
CC1=CN(Cc2ccccc2F)[C](N)C=C1	2356871718	WKDDGZMROZIDAP-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
FC[C@@H]1Cc2ccc(C(F)(F)F)cc2CN1	13517640	WQBSOLCCDPNBIT-JTQLQIEISA-N	233.208	2.689	0	1	BFAF	
Cc1cc2c(c3c1C(=O)C(=O)N3)[C@H](C)C[C@@H]2C	238788925	VHJKQWDMBHIQRR-NKWVEPMBSA-N	229.279	2.741	0	1	BFAF	
CSc1ccc2nc([C@@H](N)C(C)C)[nH]c2c1	587259524	UPNHNZFRMJAZLJ-NSHDSACASA-N	235.356	2.941	0	1	BFAF	
CC(=O)N[C@@]1(C)[C@H]2C[C@@H]([C@H]1C)C(C)(C)[C@@H]2C	390876	NUMKLBYYJZQOGT-HEFBYZJYSA-N	223.360	2.829	0	1	BFAF	
CN1C[C@@H]2c3c(N)cccc3[C@H]1[C@H]1C=CC[C@@H]21	27209847	KQEBFIGSBWGPFB-GOMXZESMSA-N	226.323	2.545	0	1	BFAF	
NC[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(N)cc1	28003903	PXLQESYVKGYUPE-FWFPMQDGSA-N	230.355	2.747	0	1	BFAF	
Nc1nccc(-c2c[nH]c3cc(Cl)ccc23)n1	138009603	CTBDAPMROQIBKY-UHFFFAOYSA-N	244.685	2.861	0	1	BFAF	
CO[C@@H]1Cc2c1nc1cccc3c1c2CC3	587214224	OVCIWEGKLWNRFW-GFCCVEGCSA-N	211.264	2.577	0	1	BFAF	
CC(C)(C)NC[C@@H]1C[C@H]2CCCC[C@H]2CN1	1772650940	PSVHZTBJEAUZSI-AGIUHOORSA-N	224.392	2.543	0	1	BFAF	
C[C@@H]1CC[C@@]2(O)C(C)(C)C[C@]3(C)CC[C@@H]1[C@]32O	1857549535	YNXVTFPRRSPPOQ-WKZARQIDSA-N	238.371	2.725	0	1	BFAF	
NC(=S)c1cc(-c2ccc(O)cc2)ccc1F	1857614106	PXRGSKILCJKBPG-UHFFFAOYSA-N	247.294	2.833	0	1	BFAF	
CC=Cc1ccc(OC)c(OC)c1OC	2356602521	BWDCJRUCCWZCIY-UHFFFAOYSA-N	208.257	2.746	0	1	BFAF	
CCn1cc(CCN(C)C)c2cc(OC)ccc21	13805809	NROYJCARPGQFQY-UHFFFAOYSA-N	246.354	2.774	0	1	BFAF	
CC(=O)c1cc2c3ccccc3nc-2c[nH]1	100687991	BWNJFPQEBKVNFX-UHFFFAOYSA-N	210.236	2.870	0	1	BFAF	
C[C@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@]2(C)OC1(C)C	104098099	ZADVMZUKWWMSLQ-DMLGPZFASA-N	238.371	2.987	0	1	BFAF	in-man
C[C@@H]1[C@H]2C[C@@H]([C@@H](CN(C)C)[C@@H]2N=O)C1(C)C	169691337	ALIWULSNWCSCKU-PZWNZHSQSA-N	224.348	2.611	0	1	BFAF	
CCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)NC(=N1)N32	206584497	QUHWOQFRSXUNPM-ZOBORPQBSA-N	249.402	2.910	0	1	BFAF	
C[C@@H](O)c1ncc(-c2nc3ccccc3[nH]2)s1	587022736	WLIWMLQEVMNRDW-SSDOTTSWSA-N	245.307	2.740	0	1	BFAF	
CC1=C2C[C@]34O[C@](C)(C[C@H]2OC1=O)[C@H]3CC[C@@H]4C	1857748586	PDIXIDUXZKOPSQ-YYOGNGJWSA-N	248.322	2.596	0	1	BFAF	
CN1C=Cc2c3n(c4ccccc24)C(=O)C=C[C@H]31	2356818771	DWDZJRASRMMPKC-CYBMUJFWSA-N	236.274	2.809	0	1	BFAF	
CCCCc1ccc2c(=O)cc(C(=O)O)[nH]c2c1	13821191	LSJVZRVJQDGSOG-UHFFFAOYSA-N	245.278	2.569	0	1	BFAF	
CC1(C)C[C@H]2C[C@@]2(C)C2=CC(=O)O[C@@]3(C)O[C@@]23C1	14694985	HSCIYWCSFZTNLU-FLCCKXIQSA-N	248.322	2.801	0	1	BFAF	
CC(/C=C/C[C@H]1C(=O)O[C@@H]2O[C@@H]21)=C\C=C\C(C)C	34613978	IOBWQTNMCLPPRK-STSBMDKXSA-N	248.322	2.989	0	1	BFAF	
Cc1ccc2cc(O)c(C(=O)O)cc2c1	139213928	QELOVGYDEUPHLG-UHFFFAOYSA-N	202.209	2.552	0	1	BFAF	
Nc1c(O)n(Cc2ccccc2)c2ccccc12	957986597	LINCPWYUQAIAKN-UHFFFAOYSA-N	238.290	2.977	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C1)OC(C)(C)C[C@]2(C)O	1857637182	KDKZKKFLICQAAI-DCQANWLSSA-N	212.333	2.741	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@@H](O)CCC(CO)=C[C@@H]12	2356501684	KCFDRPUCBYFXQR-YDHLFZDLSA-N	238.371	2.892	0	1	BFAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@]1(CO)CC[C@@H]1[C@@](O)(C3)C2	2356691751	VWXJFXQIBPYSRN-VTMBPIDISA-N	248.366	2.502	0	1	BFAF	
CC=CC=CC[C@@H](O)[C@H](O)CCC=CC	2356728648	QNDZUEJNXSSXCA-CHWSQXEVSA-N	210.317	2.587	0	1	BFAF	
CCn1c2cc(OC)ccc2c(=O)c2ccoc21	5140364	NTWKCDCNZLHNHW-UHFFFAOYSA-N	243.262	2.776	0	1	BFAF	biogenic
CS/C=C/C(=O)N(C)/C=C/c1ccccc1	14516236	NSAAZPOVMULKTO-GFULKKFKSA-N	233.336	2.992	0	1	BFAF	
CCCN(C)[C@H]1CCc2cccc(OC)c2C1	28763309	WRBAAJSAYGTSMA-ZDUSSCGKSA-N	233.355	2.894	0	1	BFAF	
O=C(Oc1ccsc1)c1cccc(S)n1	28969267	JXNVCUFWCAJVAU-UHFFFAOYSA-N	237.305	2.651	0	1	BFAF	
CC(C)(Cc1cccnc1)c1cccnc1	29551986	PKJNPGGSGKBGGS-UHFFFAOYSA-N	212.296	2.997	0	1	BFAF	in-vivo
Cc1cc(C)c2[nH]c(C[C@@H](C)N(C)C)nc2c1	587190096	GQCHIDITRQTJDW-LLVKDONJSA-N	231.343	2.672	0	1	BFAF	
COc1cc2c3c(c1)O[C@@](C)(C(C)C)[C@@H](C2)C3=O	587444926	XKFJJVLCSJJICV-NHYWBVRUSA-N	246.306	2.857	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@@H](O)[C@@H]2C1	2356747566	DSIAMBWSIUQISV-SYQHCUMBSA-N	224.344	2.501	0	1	BFAF	
COc1cc(OC)c2nc(C)c3c(c2c1)NCC3	1642026	ISCFTPATSJORAR-UHFFFAOYSA-N	244.294	2.528	0	1	BFAF	
CC1=C2[C@@H]3CC(C)(C)C[C@@H]3C(=O)[C@]2(C)CC1=O	13411726	MMEMHQYXRHYMDN-HFBDOXOYSA-N	232.323	2.917	0	1	BFAF	biogenic
O=C(O)Cc1cc(O)cc(-c2ccccc2)c1	27439053	YLJVKDQMAUPNCH-UHFFFAOYSA-N	228.247	2.686	0	1	BFAF	
CCNC1=NCCC2(CCCCC2)S1	82052279	NFYHDIQLTXCTJM-UHFFFAOYSA-N	212.362	2.792	0	1	BFAF	
OC/C=C/c1ccc2cc(Cl)ccc2n1	96937473	FUWSRMGKHFIBMZ-OWOJBTEDSA-N	219.671	2.894	0	1	BFAF	
CCCc1nn(-c2ccc(F)cc2)c(O)c1C=N	103530398	BJRIIQHMBAXCOJ-UHFFFAOYSA-N	247.273	2.667	0	1	BFAF	
C[C@@H]1N[C@@H]2c3cccc(N)c3[C@@H]1[C@@H]1CCC[C@H]21	169372544	FMBYQEIJDWNYNT-FFGRPBKISA-N	228.339	2.815	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cc(OC)ncc2[nH]1	586890422	OZXIYLJZIBFUQG-ISVAXAHUSA-N	231.299	2.870	0	1	BFAF	
CCCC/C=C/c1nc2cc(N)c(N)cc2[nH]1	587964620	AIDFFBSJCRGBEK-AATRIKPKSA-N	230.315	2.931	0	1	BFAF	
CCSc1cccc2c1CC[C@@H]1CNCCN21	1772633901	BMCLYYRLEQNDLP-LLVKDONJSA-N	248.395	2.523	0	1	BFAF	
C[C@@H]1CO[C@H](c2ccc3c(c2)OCO3)[C@@H]1C	1857747482	BKMWIAZJJFRRND-KKFJDGPESA-N	220.268	2.759	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H]3CO[C@@H](O)[C@@H]([C@H]13)[C@H]2C	2356756060	PMGGLXDFTHYNGV-AYECITQQSA-N	238.371	2.906	0	1	BFAF	
Cc1cc(N(C)C)c2ccc(N(C)C)cc2n1	1586069	JUMAIYXWCVVSOW-UHFFFAOYSA-N	229.327	2.675	0	1	BFAF	
CC1=CC[C@]2(C)C[C@H](O)[C@@](O)(C(C)C)[C@H]2CC1	14956285	WBVHJGBFCZGJRZ-BYNSBNAKSA-N	238.371	2.891	0	1	BFAF	biogenic
CC(C)=CCc1c(O)cc(O)c2ccc(=O)oc12	15114985	LVBKSGLMACQGNB-UHFFFAOYSA-N	246.262	2.713	0	1	BFAF	
Cc1coc2c1[C@H](O)[C@]1(C)C(=CCC[C@]1(C)O)C2	15221138	OKNQFKPGULYHTO-KKUMJFAQSA-N	248.322	2.655	0	1	BFAF	biogenic
C[C@@H](Oc1cccc2ccccc12)C1=NCCN1	27706791	NNWAFFLBVCCEGI-LLVKDONJSA-N	240.306	2.609	0	1	BFAF	
Cc1ccc(OC(=O)c2cccs2)nc1	28636533	RRTRORDSXMWVBI-UHFFFAOYSA-N	219.265	2.671	0	1	BFAF	
CCCN1CC[C@@H](c2cccc(OC)c2)C1	29246656	FWJGHQRTPNUZIV-CYBMUJFWSA-N	219.328	2.895	0	1	BFAF	
NC(=O)CCCCc1c[nH]c2ccc(F)cc12	95601550	IGXROOWVYVYTJR-UHFFFAOYSA-N	234.274	2.505	0	1	BFAF	
Cc1ccc([C@@H]2CN3CCCC[C@@H]3CO2)cc1	169315890	QAGSXAMKOPRXAJ-CABCVRRESA-N	231.339	2.921	0	1	BFAF	
C[C@H]1C[C@]12CC[C@@](C)(O)[C@H]1CCC(CO)=C[C@H]12	238766911	JVZDURHSPPZZBH-VNUKXSOBSA-N	236.355	2.502	0	1	BFAF	
Oc1ccc2c(c1)CCc1ccc(O)cc1-2	238784971	JZKXCYZTAGMLRB-UHFFFAOYSA-N	212.248	2.863	0	1	BFAF	
CO[C@H](C)[C@H]1c2c(F)cccc2C[C@H]2CCCN21	963111041	QXHFOMHCZGYRRJ-HCKVZZMMSA-N	249.329	2.922	0	1	BFAF	
CCCCCN1C2=NCCN2c2ccccc21	5308775	CYTKZXFYBWGNDI-UHFFFAOYSA-N	229.327	2.873	0	3	BFAF	
COc1ccc2c(c1)CC[C@H]1[C@H](c3cnc[nH]3)[C@@H]21	13554828	SVYVZZUTGJVKNX-VHDGCEQUSA-N	240.306	2.862	0	1	BFAF	
CCCN1CC[C@@H]2c3cccc(O)c3CC[C@@H]21	26006261	SHOJVFLWKSRVPH-OCCSQVGLSA-N	231.339	2.906	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@H](O)C[C@@]2(C)[C@H](O)[C@H]31	254003295	VWMGBHVRRNKOAE-PUUNCGEASA-N	238.371	2.581	0	1	BFAF	
COc1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1	586901016	MLLKDVKCBMEIFY-LBPRGKRZSA-N	234.299	2.651	0	1	BFAF	
C[C@@H]1CC[C@]2(C)C(=O)CC[C@@H](C)[C@]2(O)C1	2356711918	GAFZRJDKDAIBQD-FPQZTECRSA-N	210.317	2.543	0	1	BFAF	
O[C@@H]1c2c(F)cccc2N=C2CCCCCN21	61945384	URPMDGUMNNBGNG-CYBMUJFWSA-N	234.274	2.736	0	3	BFAF	
C[C@@]12CCC(=O)N1c1ccc(Cl)cc1N2	1627939	UGHLZJRSJACIQQ-NSHDSACASA-N	222.675	2.609	0	1	BFAF	
C[C@@H]1Cc2c(ccc3ccccc23)OC1=O	13560916	SUHVASRTABOVSV-SECBINFHSA-N	212.248	2.937	0	1	BFAF	
CCCN(CCC)[C@H]1CCn2ccc(C=O)c2C1	13642119	VELJFQQYEQHBOB-AWEZNQCLSA-N	248.370	2.737	0	1	BFAF	
COc1ccc(C(=O)O)cc1CC=C(C)C	14489232	LNNPWZRLQGUTPT-UHFFFAOYSA-N	220.268	2.902	0	1	BFAF	biogenic,in-vitro
CC(=O)CCC1=C(C)C[C@H](O)CC1(C)C	14587819	KFZDTDKRRFEMEK-NSHDSACASA-N	210.317	2.853	0	1	BFAF	biogenic,in-vitro
Cc1cc2c(cc1O)[C@@]1(C)CC[C@@](O)(O2)C1(C)C	15151400	KANVQRLDTGOSBL-HUUCEWRRSA-N	248.322	2.859	0	1	BFAF	endogenous,in-man
COc1cc(O)c(C(=O)CC(C)C)c(O)c1C	66156446	LFTHKHYHTUZOJP-UHFFFAOYSA-N	238.283	2.644	0	1	BFAF	
Cc1c[nH]c2cnc(-c3cccnc3)cc12	473154753	LFZBWWRGJUKDPI-UHFFFAOYSA-N	209.252	2.933	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CO	2356665201	XSJRCXSSXUHOHN-YWPYICTPSA-N	236.355	2.957	0	1	BFAF	
CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C	13447154	YCCVZRIFCRPGSK-WCBMZHEXSA-N	240.397	2.679	0	1	BFAF	
C[C@@H](O)c1ccc(OC(=O)c2ccccc2)cc1	14503508	VOHHAHDBBPORJD-LLVKDONJSA-N	242.274	2.959	0	1	BFAF	biogenic
CCC[C@H](O)c1cc2ccccc2c(=O)o1	40828801	XODVUDQURWYFNW-NSHDSACASA-N	218.252	2.627	0	1	BFAF	
C1=C[C@@H](CCNc2ncnc3[nH]cnc23)CCC1	40979257	QYEVCPHBAXJOAS-SNVBAGLBSA-N	243.314	2.511	0	1	BFAF	
CCCC/C=C/c1nc2c(N)ccnc2[nH]1	587965122	HAEFSAHRRAUNIM-AATRIKPKSA-N	216.288	2.744	0	1	BFAF	
CC1(C)N=C2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)OC1=O	653825904	KUKBETCXPYLGTJ-RFXMVYNHSA-N	235.327	2.588	0	1	BFAF	
CCCCCc1oc(=O)cc(OC)c1C	2356619828	VIKVACVBOMNJJE-UHFFFAOYSA-N	210.273	2.690	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2C[C@H](CO)CC[C@H]21)CO	2356696238	PLPBWYNMFNFHJA-APIJFGDWSA-N	238.371	2.750	0	1	BFAF	
CCn1cc(C2=NC[C@H](C)O2)c2ccccc21	3029688	GQWYLTGFQWRGBL-JTQLQIEISA-N	228.295	2.827	0	3	BFAF	
COc1cc(O)cc(CCc2ccc(O)cc2)c1	13340892	NSBYGUHECONSDC-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	biogenic
CC(=O)c1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1	586885875	DIUHIMLTVASTQZ-CQSZACIVSA-N	246.310	2.629	0	1	BFAF	
Cc1ccc2nc(C(C)(C)Cl)[nH]c2n1	587007960	JUEGXZKVYIFPLL-UHFFFAOYSA-N	209.680	2.740	0	1	BFAF	
NC[C@@H]1C[C@@]1(F)c1ccccc1Br	1857567642	HYOWGEBRARLVCL-XVKPBYJWSA-N	244.107	2.593	0	1	BFAF	
CC=C(C)[C@@H](O)C[Si](C)(C)c1ccccc1	1857622960	ZYNXCXLVQLRELY-AWEZNQCLSA-N	234.415	2.929	0	1	BFAF	
CS[C@H]1C[C@H]2[C@@H](C[C@@]1(C)O)C2(C)C	16035994	BEBHJEIMSRXFJR-QCBRBAQYSA-N	200.347	2.535	0	1	BFAF	
CCCCC[C@H]1N=C(N)C[C@@H]1C(F)(F)F	27193510	PZGNHZIXEYPIPG-JGVFFNPUSA-N	222.254	2.875	0	1	BFAF	
CC1=CC[C@H]2[C@H](C)CC[C@H]3C(=O)O[C@@H]1[C@H]23	238737326	VXAMURHMZFPMIP-JUAIVUMSSA-N	206.285	2.540	0	1	BFAF	
Cc1nc(O)c2nc(-c3cccs3)sc2n1	299862712	NQYFSOVIJYHGIU-UHFFFAOYSA-N	249.320	2.829	0	1	BFAF	
Nc1cccc(O)c1-c1nc2ccccc2[nH]1	587249263	GDTKSCQJKDWYEM-UHFFFAOYSA-N	225.251	2.518	0	1	BFAF	
N[C@H](N=O)c1ccc(F)cc1C(F)(F)F	957621025	WAXKMHTVCONSGK-SSDOTTSWSA-N	222.141	2.568	0	1	BFAF	
CCc1c(OC)cc2c(=O)c(C)c(C)oc2c1O	1857609140	QMQUDOVXPCNKHJ-UHFFFAOYSA-N	248.278	2.686	0	1	BFAF	
CC(C)(O)CCCCCCCCCC(N)=O	2356743751	ZVJUMMBZQZQUAS-UHFFFAOYSA-N	229.364	2.754	0	1	BFAF	
CN(C)[C]1C=CN(Cc2cccc(F)c2)C=C1	2356825191	AFSJNKNMVLPUBN-UHFFFAOYSA-N	231.294	2.762	0	1	BFAF	
C[C@@H]1CCc2cc(F)cc3c(CCN)cn1c23	3963815	IMICWWRDHASRGJ-SECBINFHSA-N	232.302	2.789	0	1	BFAF	
CCSc1nc2cccc(CC)c2c(=O)o1	27546524	VLVDENAEGXOTEI-UHFFFAOYSA-N	235.308	2.862	0	1	BFAF	
CCCN1CCN=C1c1cc2cc(O)ccc2o1	64585900	RLWAGEBKIIWSNY-UHFFFAOYSA-N	244.294	2.611	0	1	BFAF	
Cc1cc2oc(=O)ccc2cc1-n1cccc1	73195831	IDSGPCCYDCJUKW-UHFFFAOYSA-N	225.247	2.892	0	1	BFAF	
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@H]1CCN(C)C2	148144594	FRFVAEJYMVMUNE-SCDSUCTJSA-N	231.339	2.620	0	1	BFAF	
CC1=CC[C@]2(C[C@@H]1O)[C@H](C)C[C@H](O)[C@@H]2C(C)C	2356617168	TUNSMPIPYQKPSQ-QTVXIADOSA-N	238.371	2.747	0	1	BFAF	
O=C(O)c1[nH]nc2c1C[C@H](C1CCCCC1)CC2	36387418	UJNZWNGXQYJJGP-SNVBAGLBSA-N	248.326	2.793	0	3	BFAF	
COP(=O)(OC)C(=O)OCC1CCCC1	3653670	JFIMJVVUALEVAC-UHFFFAOYSA-N	236.204	2.799	0	1	BFAF	
CCCc1cc(/C=C2/CN3CCC2CC3)on1	13802445	VTWXUYYOADEUJK-WQLSENKSSA-N	232.327	2.736	0	1	BFAF	
CCOC(=O)N1CCC[C@H](c2ccccc2)C1=O	26169578	MLIRJYURQYAVJP-GFCCVEGCSA-N	247.294	2.549	0	1	BFAF	
CN1C[C@H](c2ccc(Cl)c(Cl)c2)OC1=N	45168281	FIVVQLCWEXBXAM-SECBINFHSA-N	245.109	2.931	0	1	BFAF	
NC(=O)c1coc(-c2ccc3ccccc3c2)n1	82086348	AHHBJGGWMJFZPR-UHFFFAOYSA-N	238.246	2.594	0	1	BFAF	
Cn1c2c(c3ccccc31)CCc1c[nH]nc1-2	96922099	WWXOOKGCIUFCMC-UHFFFAOYSA-N	223.279	2.667	0	1	BFAF	
Nc1ccc(-c2ccnc(-c3ccncc3)n2)cc1	101184847	GPFWSCRQLAJCGO-UHFFFAOYSA-N	248.289	2.788	0	1	BFAF	
Cc1cccc(-n2cnc(=O)c3ccccc32)c1	169305220	WCECEINRRPITCS-UHFFFAOYSA-N	236.274	2.694	0	1	BFAF	
COc1ccc(/C=C/c2cc(C)n[nH]2)cc1OC	299870877	WZYZSYUOWCZTFC-GQCTYLIASA-N	244.294	2.906	0	1	BFAF	
Cc1ccc(-c2nc(C[C@@H](N)N=O)c(C)o2)cc1	957756626	DRKJDTDGXCKDSQ-LBPRGKRZSA-N	245.282	2.552	0	1	BFAF	
CC1(C)[C@@H]2C[C@@](C)(O)C[C@@H]3CC[C@](C)(O)[C@@H]3[C@@H]21	2356651612	TYUOUBYXWCSPRN-JWAKXMNJSA-N	238.371	2.581	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H](C1=O)[C@@]1(C)CCC[C@@]2(C)C1=O	105523247	JADJNAKWESLSIG-ANGCBRKESA-N	234.339	2.997	0	1	BFAF	
C[C@H](CC(=O)O)c1cc2c3c(cccc3n1)CC2	587214697	DIFIXZJLESKQTD-SECBINFHSA-N	241.290	2.912	0	1	BFAF	
Cc1ccnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12	587967773	RWRXOSDZRRNKHO-HBNTYKKESA-N	225.295	2.946	0	1	BFAF	
Cc1noc(C(=O)NC2CCCCC2)c1Cl	5007049	OGBXNPZJUDOROQ-UHFFFAOYSA-N	242.706	2.699	0	3	BFAF	
SC1=N/C(=C/c2ccccc2)C(Cl)=N1	6514143	LWUOKRXOLULQIB-SOFGYWHQSA-N	222.700	2.964	0	1	BFAF	
O[C@H]1c2ccccc2[C@@H]2[C@@H](O)c3ccccc3[C@H]12	17191198	ZHODMXFAYOBKEZ-VGWMRTNUSA-N	238.286	2.648	0	1	BFAF	
Cc1cccc(C)c1S[C@@H](C)C1=NCCN1	27657712	XBMQJGKDOSYXPA-NSHDSACASA-N	234.368	2.786	0	1	BFAF	
Cc1nc2cc3c(cc2s1)[C@@H]1CNC[C@H]3C1	28526248	HPWMUPCSPGRYGY-BDAKNGLRSA-N	230.336	2.779	0	1	BFAF	
C[C@H]1C(=O)S[C@@](C)(C2CCCCC2)C1=O	35874652	NSUIPHZSGVWZPD-PELKAZGASA-N	226.341	2.804	0	1	BFAF	
COc1ccc(-n2sc(Cl)cc2=O)cc1	45245941	KEVSBUOHXHJITA-UHFFFAOYSA-N	241.699	2.561	0	1	BFAF	
C1=CCN(Cc2coc(-c3ccco3)n2)CC1	72181826	ZYBROEQKFQKPHF-UHFFFAOYSA-N	230.267	2.697	0	1	BFAF	
C[C@@H]1N[C@H](C)CO[C@@]1(C)c1cc(F)cc(F)c1	84758238	OINFWWIHQSNDBA-VYUIOLGVSA-N	241.281	2.577	0	1	BFAF	in-man
CCCC/C=C/c1nc2cccc(C(N)=O)c2[nH]1	587965013	GCJGNEUKMPBUTO-WEVVVXLNSA-N	243.310	2.865	0	1	BFAF	
N[C@H](N=O)c1ccc2nc(C=C3CCC3)[nH]c2c1	587965784	XOQRFTZCZUYCLL-CYBMUJFWSA-N	242.282	2.854	0	1	BFAF	
Cc1cc(O)cc2oc3cc(O)cc(CO)c3c12	1772642011	NDDJUFWEFGBHRT-UHFFFAOYSA-N	244.246	2.798	0	1	BFAF	
CCCCOC(=O)c1nnc(-c2ccccc2)o1	4389423	DZYHGTWIYBWZPZ-UHFFFAOYSA-N	246.266	2.694	0	3	BFAF	
CCOC(=O)CCc1cc2ccoc2cc1O	14443382	VBESYWCNIGAWEF-UHFFFAOYSA-N	234.251	2.634	0	1	BFAF	biogenic
FC(F)(F)[C@H]1C=CC=C([C@@H]2CCNC2)C1	26499421	GTXIQJYCGBFZND-ZJUUUORDSA-N	217.234	2.661	0	1	BFAF	
Cc1ccccc1OC[C@H](N)Cc1ccccc1	45484728	ROEAIDOFHFWWDF-OAHLLOKOSA-N	241.334	2.944	0	1	BFAF	
Cc1ncsc1[C@@H](CO)c1ccccc1	95555126	FBJUBSLSSWBUMH-NSHDSACASA-N	219.309	2.576	0	1	BFAF	
Cc1cccnc1-c1cc2n(n1)CCCC2	96911182	JQHOGDSVAGONMZ-UHFFFAOYSA-N	213.284	2.590	0	1	BFAF	
Cc1cc2c(cc1O)[C@@]1(C)C[C@@H](O2)[C@@H](O)C1(C)C	200463593	IIZJJEQOUQCDCO-UMVBOHGHSA-N	248.322	2.510	0	1	BFAF	
FC(F)(F)OCc1nc2ccccc2[nH]1	587124013	KJLCTYLOZMOEAG-UHFFFAOYSA-N	216.162	2.599	0	1	BFAF	
CCOc1ccc2[nH]c3c(S)nncc3c2c1	25982627	UZEWIAZGJIKVML-UHFFFAOYSA-N	245.307	2.799	0	1	BFAF	
CSCCCCCCCC(=S)NO	62238410	VQXIERGSFOQSNS-UHFFFAOYSA-N	221.391	2.996	0	1	BFAF	in-vitro
N#CN1CCC[C@H](CCc2ccccc2)C1	66073721	DGBNMHOKWPUFOV-CQSZACIVSA-N	214.312	2.812	0	1	BFAF	
O=C(Cc1ccccn1)c1cc2ccccc2[nH]1	66079402	FOUHXAAWDDDFSU-UHFFFAOYSA-N	236.274	2.988	0	1	BFAF	
c1ccc(CN2C[C@@H]3CC[C@H](C3)C2)cc1	100789233	ROHVSZODCOVOOC-ZIAGYGMSSA-N	201.313	2.919	0	1	BFAF	
CC[C@@]12CC=CC[C@@H](Cc3ccc(O)cc31)[C@@H]2N	169334203	DONFCAMIZWSTQQ-VBNZEHGJSA-N	243.350	2.890	0	1	BFAF	
O=CNc1ccc2c(c1)Cc1cc(O)ccc1-2	198606840	KUHJBCRTDQTCFW-UHFFFAOYSA-N	225.247	2.532	0	1	BFAF	
C[C@H](Cc1ccccc1)[C@H]1CCCC(=O)O1	220790345	BVPKMAVQFAHVAM-DGCLKSJQSA-N	218.296	2.961	0	1	BFAF	
O=c1ccc2ccc(-c3cccnc3)cc2o1	1239568849	ISRAMLSHTOEBJI-UHFFFAOYSA-N	223.231	2.855	0	1	BFAF	
CCCC=C1OC(=O)c2cccc(O)c21	2356599568	FCZPMYNMCGYTCA-UHFFFAOYSA-N	204.225	2.704	0	1	BFAF	
C[C@@H]1C(=O)CCC(C)(C)[C@@H]1C=CC1=CC(=O)OC1	2356713788	RYWMKAMLWXSVJC-CMPLNLGQSA-N	248.322	2.667	0	1	BFAF	
Cc1cc2nn([C@H]3CCCCO3)nc2cc1C	1648765	DRBPVLGXHIWXJV-CYBMUJFWSA-N	231.299	2.747	0	1	BFAF	
CC(C)=COc1cc2oc(=O)ccc2cc1O	13481576	ZLEKXXXCHQHHFH-UHFFFAOYSA-N	232.235	2.801	0	1	BFAF	biogenic
c1cn(CC[C@@H]2CCCc3occc32)cn1	13808205	MVVKZSDUMIXCAZ-NSHDSACASA-N	216.284	2.986	0	1	BFAF	
O=C(O)CSC(=S)CCc1ccccc1	40860663	XDKHVYQDJSJQLZ-UHFFFAOYSA-N	240.349	2.764	0	1	BFAF	
CC1=NCc2ccnc(OC3CCCC3)c21	96176069	SQIVIMGXSWDYSM-UHFFFAOYSA-N	216.284	2.726	0	1	BFAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O	103292626	SFJOMLIUSIKKRA-ZCRGAIPPSA-N	238.371	2.725	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)C[C@@H]3O	197719817	WKGPQOAMUAIBRO-KPRRGPHJSA-N	238.371	2.581	0	1	BFAF	
O=C(C=Cc1ccccc1)N1C=CCCC1	2356726160	HLJGMKMZIKDPPT-UHFFFAOYSA-N	213.280	2.836	0	1	BFAF	
CC=CC=CC[C@H](O)[C@@H](O)CCC=CC	2356728651	QNDZUEJNXSSXCA-STQMWFEESA-N	210.317	2.587	0	1	BFAF	
CCCCC[C@H](O)c1ccc(CO)cc1	2356757008	LMRVOUWMTBCVPJ-ZDUSSCGKSA-N	208.301	2.793	0	1	BFAF	
C[C@H]1C[C@@H]2C[C@@H](O)[C@@H]3CCCN4CCC[C@@H]2[C@@]34C1	14583723	ICWQJNDZXVMLCK-OHQCYIMMSA-N	249.398	2.658	0	1	BFAF	
Clc1ccc([C@H]2C[C@@H]3CCC[C@@H]2N3)cn1	100034342	GDSORCYTZJIZHU-AXFHLTTASA-N	222.719	2.733	0	1	BFAF	in-vivo
CC1(C)[C@H]2CCC[C@H](C(=O)O)[C@@]2(C)CC[C@H]1O	238772467	GVKOSTDVQZCJJT-ZHSDAYTOSA-N	240.343	2.675	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)C3=CC[C@](C)(O)[C@H]3[C@@H]21	2356579135	QZKYEOSYHRKCOW-SLTBLMCHSA-N	236.355	2.501	0	1	BFAF	
CC1(C)OC(=O)C=C(c2ccc(Cl)cc2)O1	203610	QHMDOQHDEADZFO-UHFFFAOYSA-N	238.670	2.990	0	1	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@@]3(O)C[C@]2(C)CCC1	14452257	MLGOBEWPILAUFJ-GJZGRUSLSA-N	248.322	2.849	0	1	BFAF	biogenic
COc1cccc2c1CCC[C@]21CCN(C)C1	27744961	ZEUWOUFMHOYFEH-OAHLLOKOSA-N	231.339	2.605	0	1	BFAF	
CN(C)[C@H]1CCc2[nH]c3cccc(F)c3c2C1	39214074	NCVPNTOKICYHDX-VIFPVBQESA-N	232.302	2.726	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CCC[C@@H](O)[C@H]21	40676792	JPZCKUFDKXCMRK-MAZHCROVSA-N	246.374	2.575	0	1	BFAF	
CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1	82047159	JOPGDNKFOCERPE-HTQZYQBOSA-N	236.267	2.542	0	1	BFAF	
CCO/C(O)=C/c1nc2ccccc2sc1=O	101505208	DBBBOOUCKWUTLA-YRNVUSSQSA-N	249.291	2.549	0	1	BFAF	
COc1cc2c3c(c1)O[C@H](C(C)(C)C)[C@@H](C2)C3=O	587445686	MMZSUQQTYJLFGK-HZMBPMFUSA-N	246.306	2.857	0	1	BFAF	
COc1cncc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967376	OGAQZUJDKNELDS-IVZWLZJFSA-N	241.294	2.646	0	1	BFAF	
C1=CC[C@H](CN2CC[C@@H](c3cc[nH]n3)C2)CC1	621431810	OBAPYLMKIHNJHU-QWHCGFSZSA-N	231.343	2.555	0	1	BFAF	
CC(CO)=C1CC(C)(C)C[C@@H]2[C@@H](CO)CC[C@H]12	2356720313	WPLVJXWIOYJHTM-YRGRVCCFSA-N	238.371	2.750	0	1	BFAF	
CC(C)[C@@]1(O)CC[C@@H](C)[C@H]2CCC(CO)=C[C@@H]21	13381609	LJOBBESYNHPUGI-RZFFKMDDSA-N	238.371	2.748	0	1	BFAF	biogenic
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@@H]2[C@@H](O)C1	14918445	NFSPTLKYFUJAOU-YTFOTSKYSA-N	238.371	2.747	0	1	BFAF	
CCC1(CC)C(=O)N(c2ccc(C)cc2)C1=O	29134198	NQHDJMJWXWBORE-UHFFFAOYSA-N	231.295	2.675	0	1	BFAF	
COc1cccc([C@@]23CCC[C@@H](C2)N(C)C3)c1	31983294	ORHIDWGJUMDDCY-ZFWWWQNUSA-N	231.339	2.821	0	1	BFAF	
COc1ccccc1[C@H]1CCc2nc[nH]c2C1	40395558	QQOAUSLLNSKQPA-JTQLQIEISA-N	228.295	2.691	0	1	BFAF	
CC(C)c1ccccc1Oc1cnc(N)nc1N	40430804	YILCHFFZMXESIM-UHFFFAOYSA-N	244.298	2.557	0	1	BFAF	
CCN1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21	253707097	SVIIYVRLTJRIIR-UKRRQHHQSA-N	231.339	2.906	0	1	BFAF	
COc1ccc2c(c1)[C@H]1[C@H](CCCN1C(C)=O)C2	299829560	LOOWWSAZIWKCIJ-IUODEOHRSA-N	245.322	2.551	0	1	BFAF	
CC(=O)NC[C@@H]1Cc2cccc3cccc1c23	13834458	MWMUHSCVSNAERX-ZDUSSCGKSA-N	225.291	2.616	0	1	BFAF	
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@@H]3C(=C12)OC(=O)[C@@H]3C	14619373	UJAUGIJBYGGHNV-BYYOYISRSA-N	246.306	2.625	0	1	BFAF	biogenic
CCc1c(C)c2ccc(NC(C)=O)cc2oc1=O	73258712	HYMZYSDOASZDFZ-UHFFFAOYSA-N	245.278	2.622	0	1	BFAF	
COc1cncc2nc(C=C3CCC3)[nH]c12	587964663	FQSVNEGVAVBPPL-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
C[C@@H]1CC=CC[C@H]1c1nc2c(N)ccnc2[nH]1	587969883	BATATEOJXNRGQY-RKDXNWHRSA-N	228.299	2.610	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](O)CCC(CO)=C[C@H]12	2356501683	KCFDRPUCBYFXQR-NFAWXSAZSA-N	238.371	2.892	0	1	BFAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@@]1(CO)CC[C@H]1[C@@](O)(C3)C2	2356691752	VWXJFXQIBPYSRN-YTQIUSBHSA-N	248.366	2.502	0	1	BFAF	
C[C@@]12Nc3ccccc3N1C(=O)c1ccccc12	1650862	SQCXGPKAYHPKFP-OAHLLOKOSA-N	236.274	2.945	0	1	BFAF	
CN1CCCO[C@@H](c2ccc(Cl)cc2)O1	5542343	VBEINFJIRJNJDV-LLVKDONJSA-N	227.691	2.622	0	1	BFAF	
CC[C@H](C)NC1Cc2cc(OC)c(OC)cc2C1	13471387	QSJGCFORWQNPTK-JTQLQIEISA-N	249.354	2.559	0	1	BFAF	
C=C(C(=O)O)[C@@H]1CCC2=CCC(=O)[C@@H](C)[C@]2(C)C1	14450111	DHYOHSUACHSNQM-HFAKWTLXSA-N	248.322	2.969	0	1	BFAF	biogenic
CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@@H]2[C@@H](O)C1	14918441	NFSPTLKYFUJAOU-YYFQZIEXSA-N	238.371	2.747	0	1	BFAF	
CC1(C)Oc2c(ccc3ccccc23)C[C@H]1O	15212815	JLCZJLBZDVFHJM-CYBMUJFWSA-N	228.291	2.914	0	1	BFAF	biogenic
C[C@@]1(N2CCCCC2)c2ccccc2CC[C@H]1O	28767740	RKIZBVCWHHPLCS-HZPDHXFCSA-N	245.366	2.695	0	1	BFAF	
ON(CCc1ccccc1)c1ccccn1	73386205	FDGCMOXWQWGYLA-UHFFFAOYSA-N	214.268	2.520	0	1	BFAF	
Cc1ccccc1-c1nc2cc[nH]cc-2n1	100957035	DGFIKSHIBCXMCR-UHFFFAOYSA-N	209.252	2.885	0	1	BFAF	
CC1=CC[C@@]23C[C@H]1C[C@](C)(O)[C@@H]2[C@H](O)C[C@H]3C	2356718908	KCUAHALVFZQCSG-JNWWKETESA-N	236.355	2.501	0	1	BFAF	
Cc1c(C)c2c(c3c1[C@H](O)C(=O)N3)[C@H](C)C[C@H]2C	2356800013	POZAGFVHYZXJIL-KBEMCWPLSA-N	245.322	2.900	0	1	BFAF	
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C	1687741	YGSVZRIZCHZUHB-ONERCXAPSA-N	231.339	2.546	0	1	BFAF	
Fc1cccc(Cl)c1[C@H]1CC2=NCCN2C1	6091692	VDDKWLCHDOJXJM-QMMMGPOBSA-N	238.693	2.681	0	1	BFAF	
O=C1N[C@@H]2CCCc3cc(Cl)ccc3[C@H]2O1	26649771	VALGYTXXSSNIHD-GHMZBOCLSA-N	237.686	2.826	0	1	BFAF	
Oc1ccc(OCCNCc2ccccc2)cc1	26751661	JADOYZZQMNOBML-UHFFFAOYSA-N	243.306	2.561	0	1	BFAF	
CN1C[C@@H]2C=C(c3ccc(F)nc3)C[C@@H](C2)C1	169294394	GITHBFKKVBHLFE-WDEREUQCSA-N	232.302	2.576	0	1	BFAF	
COc1cccc(CCN2CCC[C@@H]2C)c1	29130795	INKHQVYBVMGBHD-LBPRGKRZSA-N	219.328	2.722	0	1	BFAF	in-vivo
C[C@@H](NC(C)(C)C)C(=O)c1ccc(F)c(F)c1	45302417	JRPWUGPYWRJACU-MRVPVSSYSA-N	241.281	2.924	0	1	BFAF	
CC(C)C(=O)O[C@H]1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21	100051283	NOVRMYIRGSLBER-VLJOUNFMSA-N	220.312	2.786	0	1	BFAF	
CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC1=NCCC1)C2	169302076	YUSRZOLPOUXZON-UHIISALHSA-N	220.360	2.983	0	1	BFAF	
CC1=C2C[C@]3(C)[C@@H](C)CC[C@H]4O[C@]43C[C@H]2OC1=O	238740468	STNOVCSCDYMEBT-YYOGNGJWSA-N	248.322	2.596	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@H]2[C@H](O)C1	238750649	NFSPTLKYFUJAOU-VQJWOFKYSA-N	238.371	2.747	0	1	BFAF	
CC1=C[C@H](O)[C@H](O)C(C)=C[C@@H]2[C@H](CC1)C2(C)C	2356614089	HMLUAIQJVMUHKN-RFQIPJPRSA-N	236.355	2.667	0	1	BFAF	
Nc1ccc2c(N)c3c(nc2c1)-c1ccccc1C3	13808509	MOKARVBAJFZNLV-UHFFFAOYSA-N	247.301	2.970	0	1	BFAF	
C[C@]12C[C@@H](CCO)[C@H]3[C@H](CCC[C@@]3(C)O1)C2	85543397	FNTKKNZFRXQLOL-XGFWRYKXSA-N	224.344	2.743	0	1	BFAF	biogenic,in-vitro
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2)CO	169636550	FUCSWNUANQRDFQ-QOYBDUMYSA-N	238.371	2.892	0	1	BFAF	
O=C1C[C@@H](Sc2ccc(C(F)(F)F)cc2)N1	299864820	MYTUNYHRCHOHIT-SECBINFHSA-N	247.241	2.644	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1O[C@@H]1CC4)CC2	587216659	IRPQURCRWBJZGV-IUODEOHRSA-N	223.275	2.720	0	1	BFAF	
CCCC=CC=C[C@H](CCC(=O)O)CC(=O)O	2356358101	NNKOXHKCIDFKIK-LLVKDONJSA-N	240.299	2.855	0	1	BFAF	
CC1(C)[C@]2(O)CC[C@]1(C)C1=CC[C@](C)(O)[C@H]1C2	2356511496	CACULIXBSFBBKT-ATGSNQNLSA-N	236.355	2.645	0	1	BFAF	
COC(=O)CCCCCCC=CCOC(C)=O	2356581588	BGWZCBULBOYBIB-UHFFFAOYSA-N	242.315	2.619	0	1	BFAF	
COC(=O)/C=C1\O[C@@H](C2CC2)c2ccccc21	95600471	HQSQZRNLPPOASB-UNJUUPHPSA-N	230.263	2.682	0	3	BFAF	
Oc1c2ccccc2nn1-c1ccccc1	1667225	XKPMXFSMRADTQI-UHFFFAOYSA-N	210.236	2.731	0	1	BFAF	in-vivo
O=c1ccc2ccc(-c3ccccn3)cc2[nH]1	26488208	MOOHJGKOIYOQEU-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
c1ccc2c(c1)CC[C@@]21NCc2ccccc21	27655878	KCZZAYUBMDIXCC-MRXNPFEDSA-N	221.303	2.980	0	1	BFAF	
C[n+]1cccc2sc3ccccc3c21	28642446	NFCUJQNRWADQMN-UHFFFAOYSA-N	200.286	2.879	0	1	BFAF	
COc1ccc2c(c1)[C@@H](c1ccco1)OC2=O	29313387	GLSWWZNOFOCEPJ-LBPRGKRZSA-N	230.219	2.548	0	1	BFAF	
C[C@@H]1C[C@@]2(C)C[C@H](Cc3ccccc32)N1C	40373589	UUIHLUKORNVGJW-ZLDLUXBVSA-N	215.340	2.983	0	1	BFAF	
NC1=N[C@H](c2cccs2)Nc2cccc(F)c21	58583345	OGKZGPSVQKXXOY-GFCCVEGCSA-N	247.298	2.717	0	1	BFAF	in-vitro
COc1cc(-c2cccc(O)c2)cc(OC)c1O	64499444	OPADYWJSAHKMJR-UHFFFAOYSA-N	246.262	2.782	0	1	BFAF	
Clc1ncc2ncn([C@@H]3C[C@H]4CC[C@@H]3C4)c2n1	72109212	SRQCTGQEARKPOP-QXFUBDJGSA-N	248.717	2.841	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@H]1O	238744979	RUGJZFZHTUVOIR-AHDPXTMNSA-N	240.387	2.971	0	1	BFAF	
CC(C)[C@@](C)(O)c1nc2cc(F)cc(F)c2[nH]1	586891179	TYMSAQYQEDHMLD-GFCCVEGCSA-N	240.253	2.705	0	1	BFAF	
c1cc2nc([C@@H]3CCOC3)[nH]c2c2c1CCCC2	586910910	COXRJMNSHIXHHC-LLVKDONJSA-N	242.322	2.946	0	1	BFAF	
CC=C(CC)c1cc(OC)c(C)c(=O)o1	2356722994	WOFOASAKJXKYLB-UHFFFAOYSA-N	208.257	2.770	0	1	BFAF	
CN1CCC[C@@H]1C[C@H](O)C=Cc1ccccc1	2356748782	RIYVUZHFPDAAIC-HUUCEWRRSA-N	231.339	2.545	0	1	BFAF	
CSC(=O)N(C)CCc1ccccc1	5965661	SFUIBAHKLMJTHH-UHFFFAOYSA-N	209.314	2.644	0	1	BFAF	biogenic
C=CCCC[C@H](C)[C@H]1CCC(CO)=CC1=O	14492799	YOQGWYGRDOUVJC-WCQYABFASA-N	222.328	2.877	0	1	BFAF	biogenic
CCc1nc(C)nc2cc(-c3ccccc3)nn12	26505337	FFMPKVTYJUVGNR-UHFFFAOYSA-N	238.294	2.662	0	1	BFAF	
C[C@@H]1C(=O)C[C@H]2[C@H]3[C@H]1[C@@]2(C)CCC(=O)C3(C)C	104357499	PZYLIQGFDJFRCZ-SVUUNPHSSA-N	234.339	2.853	0	1	BFAF	endogenous,in-man
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1c1ccccc1	105035438	PWQBPEKAJJSVFH-NDBYEHHHSA-N	214.264	2.677	0	1	BFAF	
Cc1cccc2nc([C@H](N)c3ccsc3)[nH]c12	587024865	FVEHADJQVBVHDN-LLVKDONJSA-N	243.335	2.981	0	1	BFAF	
CC(=O)N(C(C)=O)c1c(C)[nH]c2cccc(F)c12	587635447	LRULGHHMZFDYPC-UHFFFAOYSA-N	248.257	2.515	0	1	BFAF	
CCCCN1C(N)=NC[C@@H]1CC1CCCCC1	12727002	XNIQQUARPOZAEM-ZDUSSCGKSA-N	237.391	2.756	0	3	BFAF	
C[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@]2(C)OC1(C)C	104098090	ZADVMZUKWWMSLQ-WZUGGRCDSA-N	238.371	2.987	0	1	BFAF	in-man
Clc1cc2c(cn1)[C@H]1[C@H]3CC[C@@H](N3)[C@@H]1CC2	140779621	HYHQVGSPVWWXJX-WHIUSJLISA-N	234.730	2.515	0	1	BFAF	
CC1=CO[C@@H](c2ccccc2)[C@H](C)[C@@H]1O	169348014	ZCZKWXJIPYYHIU-RAIGVLPGSA-N	204.269	2.659	0	1	BFAF	
Clc1cncc2nc(C3CCC3)[nH]c12	586885101	XBBWBUMBNLPYRQ-UHFFFAOYSA-N	207.664	2.879	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2C[C@]2(C)CC[C@@]12O	2356696811	SZKPCSUWTGDNTP-REBRKWNGSA-N	236.355	2.646	0	1	BFAF	
C[C@H]1N=NC(c2ccc(F)cc2)=CN1O	4452509	OCBISEJNZSTGHV-ZETCQYMHSA-N	207.208	2.627	0	3	BFAF	
N[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1	13642482	MDABJJZULDOSGP-UKRRQHHQSA-N	243.281	2.547	0	1	BFAF	
COC(=O)CCCCCC/C=C/COC(C)=O	14447642	BGWZCBULBOYBIB-VQHVLOKHSA-N	242.315	2.619	0	1	BFAF	
Cc1ccncc1-c1ccc2[nH]c(=O)ccc2c1	26168758	SMIPGQRYLOJEHJ-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
C[C@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC=C2[C@@]34C1	154127080	XZMYQBCMWCZCML-DUPGQFARSA-N	245.366	2.786	0	1	BFAF	
Oc1cc2c(cc1Cl)C[C@H]1CCCN[C@H]21	299832892	XHDNAIUOGWZVTP-KRTXAFLBSA-N	223.703	2.642	0	1	BFAF	
Oc1ccc2nc(C=C3CCC3)[nH]c2c1	587964517	ANNIFPHHZBUKFZ-UHFFFAOYSA-N	200.241	2.836	0	1	BFAF	
CC(C)CC1=C(O)N(O)[C@@H](CC(C)C)C=N1	2356818142	DQSVWDUZTSIDHN-JTQLQIEISA-N	226.320	2.950	0	1	BFAF	
O=C(O)[C@@]1(CCCc2ccc(Cl)cc2)CO1	39343005	OJUGRVJJFRUYHR-GFCCVEGCSA-N	240.686	2.516	0	1	BFAF	
CC(=O)CC/C(=C/c1ccccc1)[N+](=O)[O-]	84712316	XMDDSUNXUZASKP-XFXZXTDPSA-N	219.240	2.673	0	1	BFAF	
CCOC(=O)C1=Nc2cccc3c(O)ccc1c23	169341017	YXKIJUWIWLYBGF-UHFFFAOYSA-N	241.246	2.543	0	1	BFAF	
C[C@H](Oc1ccccc1)[C@H]1CCCN1C	473093981	UOPNAMLYCDNDDL-WCQYABFASA-N	205.301	2.548	0	1	BFAF	
CC1=CC(=CCC[C@H](C)O)CN2CCCC[C@H]12	2356806628	AHEJLXVLILVPHL-DZGCQCFKSA-N	235.371	2.888	0	1	BFAF	
CC(=O)N1C2=CCC[C@@]2(C)c2ccccc21	1646943	IJHRIBAHRJZPQO-AWEZNQCLSA-N	213.280	2.989	0	1	BFAF	
O=C(Nc1ccccc1)O[C@H]1C[C@H]2CCC[C@@H]1N2	26504998	BLXVLQQWVJDBTF-AGIUHOORSA-N	246.310	2.518	0	1	BFAF	
CCOC(=O)N1Cc2[nH]c3ccc(F)cc3c2C1	27759579	SOKUMUWMLDNDNS-UHFFFAOYSA-N	248.257	2.779	0	1	BFAF	
CC1=NN(C(=O)OCc2ccccc2)[C@H](C)N=N1	40631581	YIKJGTGPACIPQW-SNVBAGLBSA-N	246.270	2.770	0	1	BFAF	
CN1CCC[C@]2(c3cccc(O)c3)CC[C@@H]1C2	101763244	RLQLFFYFXSNPRZ-HIFRSBDPSA-N	231.339	2.908	0	1	BFAF	
CC1=C2C[C@H]3[C@@H](C)CCC(=O)[C@]3(C)C[C@H]2OC1=O	238757335	YTCKQTWKHOQCJV-GTEUGTGKSA-N	248.322	2.644	0	1	BFAF	
COc1ccc([C@H]2CN3CCCC[C@H]3CO2)cc1	299847176	VBWZSTYUCACGIZ-DZGCQCFKSA-N	247.338	2.621	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2cnccc2[nH]1	586911181	KWGPOYJEMGZPFW-BXKDBHETSA-N	231.299	2.631	0	1	BFAF	
Nc1cc2nc(C3(F)CCCCC3)[nH]c2cc1N	587131729	BRGQQSUYENQSQZ-UHFFFAOYSA-N	248.305	2.856	0	1	BFAF	
COc1cnc(C=O)c2[nH]c3ccccc3c12	14445277	NHVDRRXZBKLFSV-UHFFFAOYSA-N	226.235	2.537	0	1	BFAF	biogenic
CCN1CCC[C@H]2c3cc(O)ccc3CC[C@@H]21	26291918	SVIIYVRLTJRIIR-ZFWWWQNUSA-N	231.339	2.906	0	1	BFAF	
CCCC1=NN(C(=O)OC)[C@@H](CCC)N=N1	40505418	CAAOILQTXJLQDG-VIFPVBQESA-N	226.280	2.760	0	1	BFAF	
O=NCc1ccc(Br)nc1Cl	957581959	GTISAQCIPWGNFN-UHFFFAOYSA-N	235.468	2.764	0	1	BFAF	
CC=CCCc1cc(O)c2c(c1)O[C@@H](C)[C@@H]2CO	2356872851	ZBSDHRYEWAUMGA-JQWIXIFHSA-N	248.322	2.758	0	1	BFAF	
CC(C)N[C@@H]1CCCC[C@@H]2c3ccccc3[C@]12O	5732717	JYLTYLGMYCSVSD-BZUAXINKSA-N	245.366	2.912	0	1	BFAF	
COc1ccc2c(c1)CCC(n1ccnc1)=C2	13684555	MQEMKMXSOMLZBI-UHFFFAOYSA-N	226.279	2.836	0	1	BFAF	
Cc1ncsc1[C@@H](CO)c1ccc(F)cc1	95555473	DVENUQUGFVEEMH-NSHDSACASA-N	237.299	2.715	0	1	BFAF	
O=C1C[C@H](c2ccccc2)N=C2CCCCN12	103280411	OMCXJVGJPRMKTQ-GFCCVEGCSA-N	228.295	2.542	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)-c1cncn1CC4)CC2	587213523	XAIYWTVYCIZPIE-UHFFFAOYSA-N	247.301	2.753	0	1	BFAF	
C[C@H]1C(=O)CC[C@H]1Cc1nc2cccc(F)c2[nH]1	587963373	NJNXILFXKXMHGD-BDAKNGLRSA-N	246.285	2.860	0	1	BFAF	
Cc1cc2c(cc1C[C@H](C)O)[C@H](C)[C@H](O)[C@@H](C)C2	2356323173	JHDZFWRABRBPFB-CENBSLRLSA-N	248.366	2.575	0	1	BFAF	
O=C1C=CC[C@@H]2[C@@H]3CCC[C@@H]4CCC[C@@H](CN12)[C@H]43	2356573282	IGXQFUGORDJEST-IPVBOJNNSA-N	245.366	2.990	0	1	BFAF	
C[C@H](O)C=C[C@@H]1[C@H](C)CC(=O)CC1(C)C	2356582152	WFSOPDPEWLYCRX-JFGNBEQYSA-N	210.317	2.565	0	1	BFAF	
CC(C)CCN1CCN=C1Nc1ccccc1	15924583	MWOOZUPURCYELU-UHFFFAOYSA-N	231.343	2.816	0	3	BFAF	
O=C1c2ccccc2CC[C@H]1CN1CCCCC1	2029140	UYBXDDGLSMPWAN-AWEZNQCLSA-N	243.350	2.918	0	1	BFAF	
CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C(=O)CC1	14452003	RSDQBPGKMDFRHH-ACGQPVHCSA-N	248.322	2.644	0	1	BFAF	biogenic,in-vitro
CN[C@@]12CCCC[C@H]1Cc1cc(OC)ccc12	27742087	OZGFUUQXLIIVPN-WFASDCNBSA-N	231.339	2.856	0	1	BFAF	
c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]1c1cc[nH]n1	100766874	FIORVGNTSODCHF-UBHSHLNASA-N	210.280	2.853	0	1	BFAF	
CCSc1n[nH]c2c3cccc(C)c3nc-2n1	101484467	MIXSWAVYMAPKMT-UHFFFAOYSA-N	244.323	2.878	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@H]1O	2356824561	GWCBXQJXFMEEBJ-URFZWBKFSA-N	238.371	2.725	0	1	BFAF	
C[C@H](O)CC[C@H]1[C@@H](C)CC(=O)CC1(C)C	14487674	QIHMBTNCJUFMCE-NHCYSSNCSA-N	212.333	2.789	0	1	BFAF	endogenous,in-man
NC(=S)[C@@H]1CCCc2cc3ccccc3nc21	39204953	PXLUSIZZJOCZTD-LLVKDONJSA-N	242.347	2.941	0	1	BFAF	
COc1cccc(C(=O)[C@H](C)N2CCCCC2)c1	45301618	VIWKHXNVEIOPSC-LBPRGKRZSA-N	247.338	2.752	0	1	BFAF	in-vivo
O=c1c(-c2ccccc2)cc2ccccc2n1O	144209208	WBCCQWSDECLILV-UHFFFAOYSA-N	237.258	2.906	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cccc(C(N)=O)c2[nH]1	586891489	RGCPNGLJZOQKEQ-XPTSAGLGSA-N	243.310	2.565	0	1	BFAF	
Cc1cnc(Cl)c2[nH]c(C3=COCC3)nc12	586912025	BWFMZEIALGOMHC-UHFFFAOYSA-N	235.674	2.681	0	1	BFAF	
C[C@@H]1CC=C2C(C)(C)CC(=O)C[C@@]2(C)O1	15274344	PYUYJSFTZPYHDW-NOZJJQNGSA-N	208.301	2.869	0	1	BFAF	endogenous,in-man
c1cc2c3c(c4c(nc3c1)[C@H]1O[C@H]1CC4)CC2	587216661	IRPQURCRWBJZGV-WFASDCNBSA-N	223.275	2.720	0	1	BFAF	
CC(=O)CCCC=CC[C@H]1OC(=O)C[C@H]1C	2356486871	HOMZLLIQOYSYNB-ZYHUDNBSSA-N	224.300	2.644	0	1	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@@]3(O)C[C@@]2(C)CCC1	14452255	MLGOBEWPILAUFJ-CABCVRRESA-N	248.322	2.849	0	1	BFAF	biogenic
CCCC(=O)NC[C@H]1CCc2ccc(OC)cc21	26985320	GBTHDMWAVQRXHE-GFCCVEGCSA-N	247.338	2.641	0	1	BFAF	
CCOc1cc2c(cc1OCC)C(=O)[C@H](C)C2	27656927	ANVLUJVUZOJZJH-SECBINFHSA-N	234.295	2.859	0	1	BFAF	
Cc1cc(-c2ccc(F)cc2)nn2c(C)nnc12	27657396	ARTHJMYNOZQZKI-UHFFFAOYSA-N	242.257	2.547	0	1	BFAF	
Cc1[nH]c(=O)n(C)c1-c1ccc(C(C)(C)C)cc1	29128521	JUWZRDVZKNCGFZ-UHFFFAOYSA-N	244.338	2.986	0	1	BFAF	
O=C1Nc2cc(/C=C/c3ccccc3)ccc2C1=O	40846053	ZQOJVXBKHOCLGH-VOTSOKGWSA-N	249.269	2.992	0	1	BFAF	in-vivo
OC1=NC(=S)S/C1=C\C=C\c1cccnc1	96906491	NYAFVEMFPFRUPA-SJAMCSFMSA-N	248.332	2.967	0	1	BFAF	
CC[C@@]12C[C@H]3C[C@@H](c4ccc(O)cc41)[C@@H](C2)N3	169338049	NKNVJTXLIOQWTQ-PWFWHMEDSA-N	229.323	2.662	0	1	BFAF	
CC1=CC[C@@H](C(C)C)[C@@H](O)[C@H]2[C@H]1CC[C@]2(C)O	238766747	YBHCVYGFEJLPAW-AHDPXTMNSA-N	238.371	2.747	0	1	BFAF	
Cc1cc(F)c2[nH]c(C3CCC(N)CC3)nc2c1	587257014	XGQNBIMDCDTJQF-UHFFFAOYSA-N	247.317	2.995	0	1	BFAF	
CCc1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1	587966987	FSFPDNRSUUOGCK-UZNMPDEFSA-N	242.278	2.779	0	1	BFAF	
COC(=O)CCC(C)=CCCC(C)=CC(=O)O	2356326690	YGMFRMJDLJQZDH-UHFFFAOYSA-N	240.299	2.697	0	1	BFAF	
CC1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@@H](C)[C@@]2(O)CC1	2356326737	YSMIVLKCCCKQBB-QMIVOQANSA-N	238.371	2.748	0	1	BFAF	
CC(C)C=C1CN2CCCC[C@H]2[C@](C)(O)C1	2356744767	IDHCJVREQNIIJH-UONOGXRCSA-N	223.360	2.578	0	1	BFAF	
CC1=CN(Cc2cccc(F)c2)[C](N)C=C1	2356817604	KXZBXYPCBLXIBX-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
CCC/C=C1\OCC(=O)c2cccc(O)c21	13380495	MPUFGOPEVKRAGE-GHXNOFRVSA-N	218.252	2.746	0	1	BFAF	
Cc1ccc(C(C)C)c2c1[C@H](O)[C@@H](O)[C@@H](C)C2	14918361	OEBHZESREHLVQJ-LKTVYLICSA-N	234.339	2.705	0	1	BFAF	biogenic
Cc1ccc(CCC(=O)c2ccc(N)cc2O)o1	96914972	UMQCQBMXHUYXOA-UHFFFAOYSA-N	245.278	2.691	0	1	BFAF	
C[C@@H]1[C@@H](O)CC[C@@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	100783419	XALRSJNOMCWQJW-MJDBTJCESA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
Cn1c(-c2cccnc2)nc2ccc(F)cc21	204758810	PAIIEBOBOMCPGC-UHFFFAOYSA-N	227.242	2.774	0	1	BFAF	
C[C@@H]1[C@H](O)CC[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12	257617943	XALRSJNOMCWQJW-WHPHWUKISA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
Clc1cc2nc(CC3CC3)[nH]c2cn1	587958706	GKAWIMKCWIBIIM-UHFFFAOYSA-N	207.664	2.564	0	1	BFAF	
CCCC[C@H]1C2=C3[C@H](CC[C@H]3N=C(N)N2)C[C@@H]1C	144042654	QQRVSMQLZBVWKJ-IRCOFANPSA-N	247.386	2.783	0	3	BFAF	
C[C@H]1Cc2cc(O)cc3cccc(c23)O1	13463034	JKWIEDBIIKNGTA-QMMMGPOBSA-N	200.237	2.869	0	1	BFAF	biogenic
CC1=C(CC[C@@H](C)O)C(C)(C)C[C@H](O)C1	14587810	HFQNROGZQRGTGP-GHMZBOCLSA-N	212.333	2.645	0	1	BFAF	biogenic
C[C@@H](N)Cn1ccc2cc(Cl)c(F)cc21	26658815	CDRZAFWCPFTACB-SSDOTTSWSA-N	226.682	2.781	0	1	BFAF	
CSc1nc2c(=O)c3ccccc3[nH]c2s1	27734132	MCMNZWGKUHJROM-UHFFFAOYSA-N	248.332	2.860	0	1	BFAF	
Cc1cc(Cl)ncc1[C@@H]1C[C@H]2CC[C@@H]1N2	28864740	OGHPAVPNKPGGDV-YWVKMMECSA-N	222.719	2.651	0	1	BFAF	
CCCCO[C@H](CC)O[C@H](C)CO[C@H](O)CC	95884270	RNFAKTRFMQEEQE-AGIUHOORSA-N	248.363	2.689	0	1	BFAF	
COC(=O)Nc1cc2c3ccccc3nc-2c[nH]1	100683037	AYNDZNDBJGOBJO-UHFFFAOYSA-N	241.250	2.846	0	1	BFAF	
Nc1ncc(-c2ccnc(Cl)c2)c(C2CC2)n1	299835471	WKMJOBUXTGXOFW-UHFFFAOYSA-N	246.701	2.652	0	1	BFAF	
CC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)CC2	587213457	SRWOHZAHHPQTLJ-CQSZACIVSA-N	240.262	2.730	0	1	BFAF	
C[C@@]1(c2ccccc2)CCN(C2CC2)CO1	1649433	VTCYIQPQDCGMPF-AWEZNQCLSA-N	217.312	2.744	0	1	BFAF	
Cc1cc(O)c(C(C)C)c2c1C(=O)[C@@H](O)[C@H](C)C2	13482807	ZQPNXVQVWRIUIH-OTYXRUKQSA-N	248.322	2.560	0	1	BFAF	biogenic
CCN1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21	26276269	GVOROUDOZOBZIC-OCCSQVGLSA-N	231.339	2.906	0	1	BFAF	
C[C@@H](c1cccnc1)c1ccc(O)cc1O	147011821	NTFSNAYILIHCJN-VIFPVBQESA-N	215.252	2.645	0	1	BFAF	
C/C=C/C=C/CCc1c(O)ccc(O)c1CO	210805594	BLJACAZTWNHFLF-MQQKCMAXSA-N	234.295	2.655	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)CC1(CC=CC1)O2	587407930	LXOINQUMYWEGPC-UHFFFAOYSA-N	229.279	2.631	0	1	BFAF	
CC(C)Cc1cncc(OC[C@@H]2CCCN2C)c1	26571477	CLRLZDLVBFBEHY-AWEZNQCLSA-N	248.370	2.753	0	1	BFAF	
Cc1cccc2nc(NCC(C)(C)C)oc(=O)c12	27548216	QEJHOTRMDCDNLB-UHFFFAOYSA-N	246.310	2.954	0	1	BFAF	
CC(C)c1oc2ccccc2c(=O)c1O	28875442	KPSBZQIKIRVVTK-UHFFFAOYSA-N	204.225	2.622	0	1	BFAF	
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2CO)N3C)cc1	36176989	XTNMIAPGRFQODN-FPCVCCKLSA-N	245.366	2.554	0	1	BFAF	
C1=C/C(=C/c2ccc(/C=C3/C=CC=N3)[nH]2)N=C1	38792139	KQURRFBHIHZJDG-HWAYABPNSA-N	221.263	2.978	0	1	BFAF	in-vitro
Cc1cc2n(n1)[C@H]1C[C@@](C)(N2)Oc2ccccc21	53297635	CGJYDIABQXOEBD-FZMZJTMJSA-N	241.294	2.705	0	1	BFAF	
O=C1CCCC[C@H]1n1cc(-c2ccccc2)nn1	66259225	BIEORMAAOATLNM-CYBMUJFWSA-N	241.294	2.629	0	1	BFAF	
Cc1cnc2cc3c(cc2c1)[C@H]1CNC[C@H]3C1	101057662	NUFWCVUEIDICOH-VXGBXAGGSA-N	224.307	2.717	0	1	BFAF	
CC/C=C/C1=C2N=C(N)N[C@@H]3CC[C@H](C[C@H]1C)[C@H]23	238739069	YSZQKSLEUOCOPD-GRAZROOCSA-N	245.370	2.559	0	1	BFAF	
C=Cc1ccc(-c2nc3c[nH]c(=N)cc3[nH]2)cc1	586881685	OJLVGXOKXJSDQN-UHFFFAOYSA-N	236.278	2.680	0	1	BFAF	
C(=C\c1nc2ncc[nH]c-2n1)\c1ccsc1	587026567	VPULIDPZRUZOBC-UPHRSURJSA-N	228.280	2.536	0	1	BFAF	
Clc1ccc(-c2nc3cnncc3[nH]2)cc1	587070718	VNTODIBJQKCXSS-UHFFFAOYSA-N	230.658	2.673	0	1	BFAF	
CC[C@H](C)c1nc2cc3cn[nH]c3cc2[nH]1	587954767	CEHVPRGFRDUTDO-ZETCQYMHSA-N	214.272	2.953	0	1	BFAF	
CCC(=O)O[C@@H](Cn1ccnc1)c1ccccc1	1772601751	WNBBHANBTPFNOU-ZDUSSCGKSA-N	244.294	2.578	0	1	BFAF	
CC[C@@H](C)[C@H](C)OCN1C=CN(C)C1=CN=O	1857539542	RYXHWAQIUHASNX-MNOVXSKESA-N	239.319	2.679	0	1	BFAF	
C[C@H]1[C@@H](O)C[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1C3	2356476264	GILFHGQCINVCMC-PIHSVORRSA-N	238.371	2.581	0	1	BFAF	
C[C@H](O)CC[C@H](C)C=C1C=C[C@H]2CCCN2C1	2356544741	AYXNBUOZKHOIPL-KCQAQPDRSA-N	235.371	2.744	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CC[C@@H](C2)[C@]1(C)O)CO	2356658074	DZAZSBAAFSSMAB-AJNGGQMLSA-N	238.371	2.892	0	1	BFAF	
C[C@@H]1C[C@H](O)CCCCC=CCCCC(=O)O1	2356697403	PJUSYCAFQVDQIH-CHWSQXEVSA-N	240.343	2.970	0	1	BFAF	
CC=CC=C[C@H]1Cc2ccc(C)c(O)c2C(=O)O1	2356827729	IOUZLGAJKCJHJT-LBPRGKRZSA-N	244.290	2.914	0	1	BFAF	
Brc1cscc1Cc1c[nH]cn1	8936	HUPKOBTTZUWJRP-UHFFFAOYSA-N	243.129	2.825	0	1	BFAF	
C[C@@H](OC1CCN(C)CC1)c1ccc(F)cc1	28528086	KPCIUQMXEVBUGK-LLVKDONJSA-N	237.318	2.998	0	1	BFAF	
CC1=C[C@H]2[C@@H](C(C)(C)O)CC[C@@](C)(O)[C@H]2CC1	35259384	XOUUSQWJTXEKIT-PWNZVWSESA-N	238.371	2.891	0	1	BFAF	
Cc1cccc(C)c1NC(=O)NC1=CCCN1C	104641220	NVLYEUVHRBEXNK-UHFFFAOYSA-N	245.326	2.602	0	1	BFAF	
C/C(CO)=C1\CC[C@]2(C)[C@@H]3[C@H]1[C@H]2CC[C@]3(C)O	238736937	VCKNBYBUMOAFMV-KIOMNFBLSA-N	236.355	2.502	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]1C)O2	587405935	OFDKAFPSEBVQIW-YMTOWFKASA-N	231.295	2.711	0	1	BFAF	
CC1=C[C@]2(O)CC[C@](C)(O)[C@@]23CC(C)(C)C[C@H]13	2356721876	QVPJAJHBGVFNNK-BEAPCOKYSA-N	236.355	2.645	0	1	BFAF	
CC(C)=CCc1cc(/C=C/C(=O)O)c(O)cc1O	12153764	UQFQTWXORYDYFG-AATRIKPKSA-N	248.278	2.704	0	1	BFAF	
C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C	15160887	ZADVMZUKWWMSLQ-PVZBEVCSSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
CCCNC(=O)/C=C1\CCc2ccc(F)cc21	27328778	QVKPNSHEFJPJTC-DHZHZOJOSA-N	233.286	2.682	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)CCC(CO)=C[C@H]12	210433509	IDZQOYPXKXBZAG-XGUBFFRZSA-N	238.371	2.748	0	1	BFAF	
COc1oc2cc3oc(=O)ccc3cc2c1OC	238745538	DDNOZEZTXURAGX-UHFFFAOYSA-N	246.218	2.556	0	1	BFAF	
CC1=C[C@H](c2ccccc2Cl)NC(=S)N1	473137273	XQWPNAAPMUQXIK-SNVBAGLBSA-N	238.743	2.763	0	1	BFAF	
COc1cc2nc(C3CCC3)[nH]c2cc1F	586885220	YUJQWFPWCDJVAW-UHFFFAOYSA-N	220.247	2.978	0	1	BFAF	
CCC[C@H](c1nc2cnnc(O)c2[nH]1)C(C)C	587954711	BDRSXVNEGBIBQK-QMMMGPOBSA-N	234.303	2.598	0	1	BFAF	
Cc1ccc(-c2nc(C[C@H](N)N=O)c(C)o2)cc1	957756625	DRKJDTDGXCKDSQ-GFCCVEGCSA-N	245.282	2.552	0	1	BFAF	
NC(=S)c1cccc(-c2ccc(O)cc2)c1	1857595443	JUAMAKFHUQMBGK-UHFFFAOYSA-N	229.304	2.693	0	1	BFAF	
CCC=CC[C@]1(C)C(=O)CC[C@@H]1CC(=O)OC	2356328991	OTKPGLYYTBWCFA-RISCZKNCSA-N	238.327	2.891	0	1	BFAF	
C[C@]12C[C@@H]3CCC[C@@](C)(O1)[C@H]3[C@H](CCO)C2	2356506218	FNTKKNZFRXQLOL-RYMFRWLXSA-N	224.344	2.743	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C(=O)[C@@](C)(O)CC[C@@H]12	2356673518	KXQDMRUVBISRKM-GDLCADMTSA-N	224.344	2.933	0	1	BFAF	
CCCC[n+]1cccc(-c2nc(C)ns2)c1	103193870	QMEQOEZJMAENJH-UHFFFAOYSA-N	234.348	2.601	0	1	BFAF	
Cc1nc2ccc(O)nc2n1C1CCCCC1	118272211	WJKZYWAHBPIEOJ-UHFFFAOYSA-N	231.299	2.951	0	1	BFAF	
COc1cccc([C@@H]2CN3CCCC[C@@H]3CO2)c1	169315893	IALDDQHJTXUTIC-HIFRSBDPSA-N	247.338	2.621	0	1	BFAF	
O=NCc1cc(Br)cs1	958021771	QEXHEGMFOYYNLK-UHFFFAOYSA-N	206.064	2.777	0	1	BFAF	
CCCCCC=CC=C[C@H](O)[C@H]1CCC(=O)O1	2356387133	JAXIPKBMDKIIGO-QWHCGFSZSA-N	238.327	2.746	0	1	BFAF	
COc1c(C)c(C)c(C)c2c1C(=O)O[C@@H]2C	2356486982	KZEOMHLMKSCKRC-SECBINFHSA-N	220.268	2.852	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H](C)[C@H]3[C@H](O)OC[C@H]2[C@@H]13	2356756061	PMGGLXDFTHYNGV-BNESJGNISA-N	238.371	2.906	0	1	BFAF	
CCCCCC[C@H](O)c1cc(OC)cc(=O)o1	2356779275	PWEKKOYBULKAHZ-NSHDSACASA-N	240.299	2.652	0	1	BFAF	
COC(=O)CCCCN1C=CC(C)(C)C=C1	1533219	CYDKOISFKUESMX-UHFFFAOYSA-N	223.316	2.699	0	1	BFAF	
C[C@]1(CC2=Cc3ccccc3CC2)CN=CN1	13862143	XWOKQRYKGQBUQK-HNNXBMFYSA-N	226.323	2.797	0	1	BFAF	
CCCC(=O)c1cc2ccc(=O)oc2cc1OC	14721472	UEPYGMLWWBFEIC-UHFFFAOYSA-N	246.262	2.784	0	1	BFAF	biogenic
CCCN1CCC[C@H]2c3cccnc3CC[C@H]21	26005410	UEHJPVCNGHZHGZ-DZGCQCFKSA-N	230.355	2.986	0	1	BFAF	
O=C1Cc2cc(O)c(-c3ccccc3)cc2O1	29248599	RNGDWAPSLIXZIE-UHFFFAOYSA-N	226.231	2.521	0	1	BFAF	
CCCN[C@@H](C)C(=O)c1cccc(Cl)c1	45245761	PJSOCXYIJJIWHO-VIFPVBQESA-N	225.719	2.911	0	1	BFAF	in-vitro
Nc1nc2cc(-c3ccncc3)ccc2s1	66259344	DLDFPMAJUXWLLG-UHFFFAOYSA-N	227.292	2.941	0	1	BFAF	
O=c1ncn(-c2cccc(F)c2)c2ccccc12	169341190	KGTKYSIICHDJCZ-UHFFFAOYSA-N	240.237	2.525	0	1	BFAF	
c1cc2c3c(c(C[C@@H]4CCOC4)cnc3c1)CC2	587215368	GTIYRTMAMACBEQ-NSHDSACASA-N	239.318	2.912	0	1	BFAF	
C[C@@H]1C(=O)CC=C2CC[C@H](C(C)(C)O)C[C@@H]21	2356477943	NBOAZLRJZITJPD-ZMLRMANQSA-N	222.328	2.709	0	1	BFAF	
CC(C)C[C@@H]1O[C@H](C(C)C)Cc2[nH]nc(O)c21	95570337	FFOOLZBCFJUBTQ-QWRGUYRKSA-N	238.331	2.800	0	3	BFAF	
COc1cc(=O)oc2c(OC)c3occc3cc12	33951090	KAWXJSCFXZDZAR-UHFFFAOYSA-N	246.218	2.556	0	1	BFAF	
C/C(CO)=C1/CC[C@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]13	104373005	VCKNBYBUMOAFMV-OKRCCLMQSA-N	236.355	2.502	0	1	BFAF	in-man
Cc1ccccc1C(=O)Nc1ncccc1F	154159992	LELLVCXADCJKAW-UHFFFAOYSA-N	230.242	2.781	0	1	BFAF	
COc1cccc([C@H]2CN3CCCC[C@@H]3CO2)c1	169315895	IALDDQHJTXUTIC-UKRRQHHQSA-N	247.338	2.621	0	1	BFAF	
C[C@]12N[C@@H]([C@H](O)c3ccccc31)[C@@H]1CCCC[C@@H]12	169359503	QUUVVNAADCNVJY-LIDJKPORSA-N	243.350	2.727	0	1	BFAF	
CCCCOCc1cnn(-c2ccccc2)n1	1857760127	XGIJCUZKGGWJLU-UHFFFAOYSA-N	231.299	2.584	0	1	BFAF	
Cc1cc2c(cc1O)[C@@H](C)[C@@H](O)C=CC(C)(C)O2	2356655343	BMFLYLUFZRFANY-PWSUYJOCSA-N	248.322	2.892	0	1	BFAF	
CN1CC[C@@]2(CCCc3ccccc32)C1	27761861	BIBARNODTDRLBO-AWEZNQCLSA-N	201.313	2.596	0	1	BFAF	
CC(C)(/C=C/C(=O)O)CCCCn1ccnc1	36242087	IHIJCYKHHWZJTB-FNORWQNLSA-N	236.315	2.720	0	1	BFAF	
CCC1OCC([C@H](c2ccccc2)N(C)C)CO1	39215624	YSELIXSVKNUDJF-NRXISQOPSA-N	249.354	2.688	0	1	BFAF	
Cc1cccc(CSc2c[nH]c(=O)c(O)c2)c1	206325953	QWXRPYFOOJJSKS-UHFFFAOYSA-N	247.319	2.681	0	1	BFAF	
O=C(O)c1cccc2nc(C3=CCCC3)[nH]c12	586886091	ZRBAJYADZWXHKF-UHFFFAOYSA-N	228.251	2.828	0	1	BFAF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](C)O)N1	962944972	GLVFLNJWOCNVPP-BHDSKKPTSA-N	244.338	2.514	0	1	BFAF	
Cc1coc2c1[C@H](O)[C@@]1(C)C(=CCC[C@]1(C)O)C2	15221133	OKNQFKPGULYHTO-SOUVJXGZSA-N	248.322	2.655	0	1	BFAF	biogenic
Cn1c(=O)ccc2c(-c3ccccc3)nccc21	27551365	PIOGKVWSMAZIFA-UHFFFAOYSA-N	236.274	2.601	0	1	BFAF	
Cc1ccc([C@]2(C)COC(C)(C)O2)c(O)c1	38276590	YRQZONGPMRIGCN-ZDUSSCGKSA-N	222.284	2.699	0	1	BFAF	
CC[C@]1(O)C2=NCC(C)(C)CN2c2ccccc21	40640566	VRNNDBDRCPXHIY-OAHLLOKOSA-N	244.338	2.543	0	1	BFAF	
c1ccc(Oc2nnc(-c3ccncc3)o2)cc1	58494228	XBIAJEJBUZAYIL-UHFFFAOYSA-N	239.234	2.924	0	1	BFAF	
Oc1cccn(Cc2ccccc2)c1=S	95589293	UBQRNOYIALBFRK-UHFFFAOYSA-N	217.293	2.971	0	1	BFAF	
c1ccc2c(c1)C1c3ccccc3C2[C@H]2N[C@H]12	100798758	NIKRFKKUKZETAQ-QDIHITRGSA-N	219.287	2.618	0	1	BFAF	
Cc1sc2c(c1[C@@H]1C=CNC=N1)CCC2	218949650	PMTFPMMPUOBULE-JTQLQIEISA-N	218.325	2.732	0	1	BFAF	
CCc1ccc2nc(C3=COCC3)[nH]c2c1	586912111	DYPDRNMHEABQKN-UHFFFAOYSA-N	214.268	2.887	0	1	BFAF	
C[C@@H]1O[C@@]23C[C@H]1CC[C@]2(C)CCC[C@@H]3CO	2356371232	XPOUZYSXHNCNEA-MQLXINIDSA-N	224.344	2.743	0	1	BFAF	
C[C@@H]1C[C@H]2CC[C@@]34CCCN5CCC[C@@]23[C@@]5(C1)N4	2356784318	OAZOHRGEPYRUQB-LJIZCISZSA-N	246.398	2.741	0	1	BFAF	
Cc1ccccc1-c1cc(-n2ccnc2)ncn1	4239454	UZDAOZILIXYPGX-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
COc1cc2ccnc3ccn(C)c(c1OC)c23	13223255	FTAOPPTXDMFPFY-UHFFFAOYSA-N	242.278	2.744	0	1	BFAF	
C[C@H]1CC[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)O1	14616540	VXIZSNZJQJVFMK-UFGOTCBOSA-N	210.317	2.949	0	1	BFAF	endogenous,in-man
CC(C)c1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3	29250950	QYCOOFYFHRHZER-UHFFFAOYSA-N	243.310	2.916	0	1	BFAF	
C[C@@H]1C[C@@H]2O[C@H](C1)CN2Cc1ccccc1	169352657	CYUXDKXNHPDLKC-YUTCNCBUSA-N	217.312	2.643	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1[C@H](c3cnc[nH]3)[C@H]21	195312836	SVYVZZUTGJVKNX-BPLDGKMQSA-N	240.306	2.862	0	1	BFAF	
CC(C)C[C@H](O)c1nc2cccc(F)c2[nH]1	586900168	APZBYNMOHMCRPD-JTQLQIEISA-N	222.263	2.782	0	1	BFAF	
CC1=NN=C2C[C@H](c3ccccc3)CC(NO)=C12	103919439	YONJDOCKCMAOPA-NSHDSACASA-N	241.294	2.627	0	3	BFAF	
Cn1c(C(=O)N2CCCCC2)cc2sccc21	4971049	CUZRIVRNHYQJHA-UHFFFAOYSA-N	248.351	2.866	0	1	BFAF	
CC1=C[C@H](O)[C@H](O)[C@@]2(C)CC[C@@H](C(C)C)C=C12	15206295	UNJJBVJUBFDZLZ-UNQGMJICSA-N	236.355	2.667	0	1	BFAF	biogenic
CN1C[C@H]2C[C@@]2(c2ccc(Cl)cc2)C1	27549803	PPQBFAJGVREEGL-PWSUYJOCSA-N	207.704	2.543	0	1	BFAF	
OC[C@H](OCCc1ccccc1)c1ccco1	147560748	IVSMXAMCMYHIMN-AWEZNQCLSA-N	232.279	2.572	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)[C@@H]1C	169342333	UYGXIRLPYCTTQQ-UVBJJODRSA-N	245.366	2.849	0	1	BFAF	
Cc1cc2nc(C3=COCC3)[nH]c2cc1F	586914036	YXNWDFUSFAACPB-UHFFFAOYSA-N	218.231	2.772	0	1	BFAF	
C(=C\c1nc2cnncc2[nH]1)\c1ccsc1	587026118	RLECBAODSKQEHL-UPHRSURJSA-N	228.280	2.585	0	1	BFAF	
COc1ccc2nc(C=C3CCC3)[nH]c2n1	587964919	JNCPMVSNEPPEHD-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
COc1ccc2sc(C(=O)NC3CC3)cc2c1	1772615899	CDVVLKRGRADIEF-UHFFFAOYSA-N	247.319	2.802	0	1	BFAF	
Cn1cc2cnc(-c3ccccc3)cc2n1	1857768470	QTVTWOYTPKCCQS-UHFFFAOYSA-N	209.252	2.635	0	1	BFAF	
CC1=CC2=CC(C)(C)C[C@@]2(O)[C@](C)(O)C12CC2	2356607767	QBVVHCHYSZWSDG-HIFRSBDPSA-N	234.339	2.565	0	1	BFAF	
COC(=O)/C=C/[C@H]1c2ccccc2[C@@H](OC)[C@@H]1C	13783109	CMKYBWAWPBVWFW-OWOPOZBSSA-N	246.306	2.837	0	1	BFAF	
CC1(C)CC2=C(CO)[C@H]3[C@H](O)C[C@@]3(C)C[C@@H]2C1	14715726	LQERXRGQUOMUGB-BYDSVVRCSA-N	236.355	2.502	0	1	BFAF	
CSC(=S)N/C=C/c1ccc(O)cc1	14772521	OPOPSTAOKBUQNZ-VOTSOKGWSA-N	225.338	2.600	0	1	BFAF	
COC(=O)/C=C(\C)CC[C@@H]1SC1(C)C	17217622	KHXRTZFWNFCGFH-FLOXNTQESA-N	214.330	2.780	0	1	BFAF	
CCCCN(CCC)[C@@H]1CCc2n[nH]cc2C1	26480590	SMDLVEZTAYYBNM-CYBMUJFWSA-N	235.375	2.779	0	1	BFAF	
O=C(Nc1ccccc1)O[C@@H]1C[C@H]2CCC[C@@H]1N2	26504995	BLXVLQQWVJDBTF-FRRDWIJNSA-N	246.310	2.518	0	1	BFAF	
CN1CCC[C@H]2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21	299832844	WPURYKDOSCZJJP-AALSBFMBSA-N	248.414	2.591	0	1	BFAF	
C[C@@H](Oc1ccccc1)[C@@H]1CCCN1C	473093982	UOPNAMLYCDNDDL-YPMHNXCESA-N	205.301	2.548	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2CO	621430916	MLWFPIRGSGERCY-DHMWGJHJSA-N	240.387	2.972	0	1	BFAF	
Clc1cc2c(cn1)[C@H]1C[C@H]3CC[C@@H]1N3C2	101156072	QNJFYQBMHLYGPU-KKZNHRDASA-N	220.703	2.569	0	1	BFAF	
C1CCC23CC45CNCC4(CC2(C1)C5)C3	103283774	RMIKVZAHLJJLJN-UHFFFAOYSA-N	203.329	2.710	0	1	BFAF	
CC1(C)CC(=O)[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]12)C3	2356443695	VBBJXERDFBUYAW-LWWSYDQCSA-N	236.355	2.933	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC(=O)[C@@H](CO)[C@H]2[C@H]31	2356795500	MCTUYJGRYPUICC-HWFCMWTCSA-N	236.355	2.502	0	1	BFAF	
Cc1cccc(CN2C=C[C](N(C)C)C=C2)c1	2356819366	JNJTTZKAAVUOKQ-UHFFFAOYSA-N	227.331	2.932	0	1	BFAF	
c1nc(CCCCCN2CCCCCC2)c[nH]1	13685924	ZNBGWUKXSAVPOB-UHFFFAOYSA-N	235.375	2.999	0	1	BFAF	
CN1C[C@@]23Cc4ccc(O)cc4[C@@](C)(CC[C@H]12)C3	34434488	HUBOTCKKRXYMHW-JYJNAYRXSA-N	243.350	2.690	0	1	BFAF	
C1=C/C(=C/c2ccc(/C=C3\C=CC=N3)[nH]2)N=C1	38792140	KQURRFBHIHZJDG-DSOJMZEYSA-N	221.263	2.978	0	1	BFAF	in-vitro
O=C1CC[C@@H]2c3[nH]c4ccc(F)cc4c3CCN12	95784249	DVYWRBACICSVFJ-GFCCVEGCSA-N	244.269	2.527	0	1	BFAF	
N[C@H]1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	100067072	INLFGRVNSNAIRT-LTGWCKQJSA-N	222.719	2.576	0	1	BFAF	
Cc1oncc1C(=O)c1coc2ccccc12	587280677	RETONYXGAVPAMW-UHFFFAOYSA-N	227.219	2.960	0	1	BFAF	
C[C@@H]1[C@@H]2CCCN2O[C@@H]1/C=C/c1ccoc1	5811429	BEQCVWNTRFMCAF-PSJHIYJMSA-N	219.284	2.707	0	1	BFAF	
Cc1cccc2c1[C@@](C)(O)c1c(C)coc1C2=O	13380923	OKXRQISDRKEMCB-OAHLLOKOSA-N	242.274	2.697	0	1	BFAF	biogenic
Cc1ccccc1-c1cc2cncnc2nc1N	27301144	LPYPRULYNFMSJC-UHFFFAOYSA-N	236.278	2.582	0	1	BFAF	
c1cc2c(ncc3nnc(C4CCCCC4)n32)[nH]1	95582310	ZVJRUPARGURZPI-UHFFFAOYSA-N	241.298	2.653	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](CO)CC[C@]13O	100782021	RTSORXBIZDRAMP-MUGBGTHKSA-N	238.371	2.582	0	1	BFAF	endogenous,in-man
CC[C@H]1OCCC[C@H]1c1nc2c(C)nccc2[nH]1	586909390	DWPQHCPIJOOJIN-ZYHUDNBSSA-N	245.326	2.939	0	1	BFAF	
Cc1cc(-c2c[nH]c3cnccc23)ccn1	1772605709	XWTRRNHUEHPTLP-UHFFFAOYSA-N	209.252	2.933	0	1	BFAF	
CC1(C)CC(=O)c2cc(C=CC(=O)O)ccc2O1	2356335601	AYTRFVUVSOOQBN-UHFFFAOYSA-N	246.262	2.528	0	1	BFAF	
CCCc1ccc(OC(C)=O)c(OC)c1	3175592	IXIJPFDYLOLJQN-UHFFFAOYSA-N	208.257	2.573	0	1	BFAF	biogenic
O=C1N[C@@H]2CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1	5810800	PBXPNMCDHLHTPN-TUAOUCFPSA-N	235.714	2.722	0	1	BFAF	
c1cnc2c(c1)[C@@H](CCn1ccnc1)CCC2	13808190	VPDLANZEXFQJSQ-GFCCVEGCSA-N	227.311	2.788	0	1	BFAF	
CCCN1CCC2=C(CCc3sc(N)nc32)C1	13824120	IGLLADILKYAPBC-UHFFFAOYSA-N	249.383	2.541	0	1	BFAF	
CC1(C)CCC[C@]2(C)C3=C(CC(=O)[C@@H]12)C(=O)OC3	14449303	UIFPOMHZPDKLLM-SWLSCSKDSA-N	248.322	2.645	0	1	BFAF	biogenic
Cc1cc2c(c3c1CCOC3)CC(C)(C)[C@H]2O	15166920	UFWZMDZKYPGNPV-AWEZNQCLSA-N	232.323	2.683	0	1	BFAF	biogenic
Cc1c(CC2=NCCN2)ccc2ccccc12	29240181	GLSMPJIIRZLXMC-UHFFFAOYSA-N	224.307	2.692	0	1	BFAF	
O=C1Nc2ccccc2[C@H]2c3ccccc3N[C@H]12	43060631	XXUMJZLUQLIDJC-KGLIPLIRSA-N	236.274	2.565	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@H]2[C@](C)(C[C@@H]1O)C[C@@H]1C[C@]21C	73310172	QRDWGAFJTAQHKE-QIWTVSAUSA-N	238.371	2.581	0	1	BFAF	
CCC12C[C@@H]3C[C@@H](C1)CC(N(C)C)(C3)O2	101671976	WHLCHZNWMBDKMN-ZSVAQUKISA-N	209.333	2.633	0	1	BFAF	
CCN1C(=O)C(C)(C)[C@@H]1c1ccccc1OC	169324275	QDRDOWZHLXLAFY-LBPRGKRZSA-N	233.311	2.625	0	1	BFAF	
CCC(=O)c1cc2c3c(cccc3n1)CC2	587212511	BNLNLUJCAIUUTQ-UHFFFAOYSA-N	211.264	2.926	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc[nH]c1)O2	587396900	RCGNQXXTAYLAAP-CYBMUJFWSA-N	242.278	2.612	0	1	BFAF	
CN1CCCC[C@@H]1C=Cc1ccc(O)cc1	2356545513	UKYRYYDKRQVYHH-CYBMUJFWSA-N	217.312	2.890	0	1	BFAF	
CCCCC[C@@H]1N=C(N)C[C@@H]1C(F)(F)F	13781182	PZGNHZIXEYPIPG-YUMQZZPRSA-N	222.254	2.875	0	1	BFAF	
CC[C@@H]1[C@@H](O)C[C@@H]2CCC[C@@H]3CCC[C@@]1(C)N23	14677243	OCKFTNZOPPWTQJ-QKGCVVFFSA-N	237.387	2.943	0	1	BFAF	
c1ccc([C@]23CCCN[C@H](CC2)C3)cc1	29248896	GTIANQVFLDRAFB-ZIAGYGMSSA-N	201.313	2.860	0	1	BFAF	
Oc1ccccc1[C@@H](O)/C=C/c1ccccn1	299857100	CMCAVJLJULGXKY-VFNNOXKTSA-N	227.263	2.534	0	1	BFAF	
C[C@H]1CCO[C@H](c2nc3ccc(O)cc3[nH]2)C1	586916572	AJTKHDGDQIYBEJ-UFBFGSQYSA-N	232.283	2.756	0	1	BFAF	
CSc1ccc2nc([C@@H](N)[C@@H](C)F)[nH]c2c1	587126828	ZQUHUIJUSRVVBB-LDWIPMOCSA-N	239.319	2.643	0	1	BFAF	
CC(=O)NCc1ccc(-c2ccco2)cc1	2178320108	HWYHODFECXKHNH-UHFFFAOYSA-N	215.252	2.583	0	1	BFAF	
CN1c2ccccc2[C@@]23CCCC[C@]12NCC3	2356404881	ZUFLZTBSMIZYAQ-GJZGRUSLSA-N	228.339	2.638	0	1	BFAF	
C[C@H]1C(=O)CCC(C)(C)[C@@H]1C=CC1=CC(=O)OC1	2356713791	RYWMKAMLWXSVJC-ZYHUDNBSSA-N	248.322	2.667	0	1	BFAF	
CC1=C2c3cc(O)c(C)cc3[C@@H](C)C[C@@H]2OC1=O	15273819	JNBSQRJGTJOEJS-CPFSXVBKSA-N	244.290	2.907	0	1	BFAF	biogenic
O=C1N[C@@H]2CCCc3cc(Cl)ccc3[C@@H]2O1	26649766	VALGYTXXSSNIHD-MNOVXSKESA-N	237.686	2.826	0	1	BFAF	
CC(C)N1CC[C@@H](c2cccc(O)c2)C1	29247791	QBERVTCRCZTHSQ-GFCCVEGCSA-N	205.301	2.590	0	1	BFAF	
c1cc2c3c(cc(C[C@H]4CCOC4)nc3c1)CC2	587215112	BNSIBLZDKRARAQ-LLVKDONJSA-N	239.318	2.912	0	1	BFAF	
COc1cc2c3c(c1)O[C@@]1(CC[C@H]1C)[C@@H](C2)C3=O	587447033	KHGQLRFOZKGQSM-OTDPEBBPSA-N	244.290	2.611	0	1	BFAF	
C[C@@H]1C[C@]12CC[C@](C)(O)[C@H]1CCC(CO)=C[C@H]12	2356391116	JVZDURHSPPZZBH-MYBUGEPTSA-N	236.355	2.502	0	1	BFAF	
CC(=O)[C@H](C)C[C@H](C)C=CC[C@H](C)C(=O)O	2356701014	PRYKRPSKOZIRLZ-OUAUKWLOSA-N	226.316	2.905	0	1	BFAF	
CC[C@H](C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12	14455618	GRVFODKSPHRUNC-HZMBPMFUSA-N	245.322	2.687	0	1	BFAF	biogenic
C[C@H]1CC[C@@H]2[C@H]3[C@H]1OC(C)(C)[C@@H]3CC[C@@]2(C)O	15153772	ADBBBTOFKUSIAE-CSWWBCRBSA-N	238.371	2.987	0	1	BFAF	
Cc1cccc(-c2ccc3c(c2)C(=O)NC3)c1	63540030	VKTGOQALQHPVAF-UHFFFAOYSA-N	223.275	2.905	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1[C@H]1C[C@@]1(C)[C@@H](O)CC[C@]2(C)O	95919116	USFOCJBPTUMHRF-QANKYFMGSA-N	238.371	2.581	0	1	BFAF	biogenic,in-vitro
S=C1N=C2CCC[C@@H]2[C@@H](c2ccccc2)N1	169726105	XCMOIYBNFINWKB-CMPLNLGQSA-N	230.336	2.857	0	1	BFAF	
O=C1c2ccsc2-c2nccc3ccnc1c23	211030956	DGMXPJMSXLFCMH-UHFFFAOYSA-N	238.271	2.903	0	1	BFAF	
C[C@@H](O)CCCCCCC/C=C/C=C/C(N)=O	7992229	HQHCQAKGZLESDF-VWKOTYLWSA-N	239.359	2.696	0	1	BFAF	
CN1CCC[C@@]2(c3cccc(O)c3)CC[C@@H]1C2	29308852	RLQLFFYFXSNPRZ-UKRRQHHQSA-N	231.339	2.908	0	1	BFAF	
CN1C[C@@H]2C[C@]2(c2ccc(Cl)cc2)C1	39332069	PPQBFAJGVREEGL-CMPLNLGQSA-N	207.704	2.543	0	1	BFAF	
CCCN(CCC)[C@H]1Cc2cc(O)cc(O)c2C1	40504241	SBCBZNIMFWSCIN-LBPRGKRZSA-N	249.354	2.687	0	1	BFAF	
CCC(=O)Nc1ccc2c(O)cccc2c1	263620562	IPFXHEAWAKCIPJ-UHFFFAOYSA-N	215.252	2.894	0	1	BFAF	in-vitro
Cc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1F	586889993	OUJNWGVNISJOMG-CYBMUJFWSA-N	236.290	2.874	0	1	BFAF	
Cc1cncc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12	587093250	KPEHAZNUGHIAHZ-BQBZGAKWSA-N	241.216	2.932	0	1	BFAF	
CCOC(=O)c1cc2c3c(cccc3n1)CC2	587211440	GLCRLDWYGCUICL-UHFFFAOYSA-N	227.263	2.510	0	1	BFAF	
C[C@@H](OCN1C=CN(C)C1=CN=O)C(C)(C)C	1857535973	ZFCHOIXDYDKFFE-SNVBAGLBSA-N	239.319	2.679	0	1	BFAF	
C[C@H](C=Cc1ccc2[nH]ccc2c1)CO	2356600277	GNRIVRGDLISVNC-SNVBAGLBSA-N	201.269	2.810	0	1	BFAF	
COc1ccc(N/C=C2/C=CC=N2)cc1	103918566	JUGQSNQQFZZWTJ-LUAWRHEFSA-N	200.241	2.589	0	3	BFAF	
CC1(C)NC(=O)N2C=Cc3ccccc3[C@@H]21	27708620	KXWGHSBZMYOACJ-LLVKDONJSA-N	214.268	2.516	0	1	BFAF	
S=C1SCCN1CCc1ccccc1	28817240	CGFOZJLGKKICFG-UHFFFAOYSA-N	223.366	2.563	0	1	BFAF	
CC1=CC[C@H](O)C(C)(C)[C@@]12CC[C@@H](C)O2	34597390	YOWYSRQHDYVTJT-NTZNESFSSA-N	210.317	2.661	0	1	BFAF	
CC(C)=C[C@H]1CC[C@]2(C)[C@H]1[C@@](C)(O)CC[C@H]2O	70455217	FKMCEEHVCIIPLE-MRLBHPIUSA-N	238.371	2.891	0	1	BFAF	biogenic,in-vitro
Nc1c(-c2ccc(Cl)cc2)nc2cnccn12	73168751	BOLTYVJTXRYJFE-UHFFFAOYSA-N	244.685	2.632	0	1	BFAF	
Clc1ccc2c(n1)CN1[C@H]3CC[C@@H]1C[C@H]23	101156107	IMTFYHGMSYRWOU-ZOFUNIGCSA-N	220.703	2.569	0	1	BFAF	
O/C(=C\c1nc2ccccc2nc1O)C1CC1	101882485	ITKKENDZIPRUDS-GHXNOFRVSA-N	228.251	2.644	0	1	BFAF	
CC(C)Oc1ccc2nc([C@H]3CCOC3)[nH]c2c1	586912953	YKNQKYYKUPYBIA-JTQLQIEISA-N	246.310	2.854	0	1	BFAF	
Nc1ncccc1-c1cc2c3c(cccc3n1)CC2	587210996	JLTXDBQFURHEBT-UHFFFAOYSA-N	247.301	2.978	0	1	BFAF	
N[C@H](N=O)c1ccc(COc2ccccc2)cc1	957756773	OKQBPCPHCOKEKT-CQSZACIVSA-N	242.278	2.989	0	1	BFAF	
O=C(NCc1ccco1)[C@H]1[C@H]2C=CCCCC[C@H]21	4664185	ZZYJXLSLHDDCAV-MJBXVCDLSA-N	245.322	2.888	0	1	BFAF	
COn1c2ccccc2c2cc(C=O)ccc21	13383290	LGLGSEILIYMFIQ-UHFFFAOYSA-N	225.247	2.665	0	1	BFAF	biogenic
C[C@@H](c1csc2ccccc12)N(O)C(N)=O	13762717	AMMPGBYIKIGTPN-ZETCQYMHSA-N	236.296	2.732	0	1	BFAF	
CSC(=O)c1c(C)c(C)c(O)c(C)c1O	15117994	QJRMEZDCBCMYBB-UHFFFAOYSA-N	226.297	2.526	0	1	BFAF	biogenic
S=C(NCCc1ccccc1)c1cccnc1	26504911	RRUQXUJYTLSXLN-UHFFFAOYSA-N	242.347	2.589	0	1	BFAF	
CC[C@@H](C)CNc1nc(N2CCCC2)ncc1C	82201790	CUQKGWYMXMLAPP-LLVKDONJSA-N	248.374	2.843	0	1	BFAF	
C[C@@]12N[C@H](Cc3ccc(N)cc31)c1ccccc12	100649265	JCVPNSINBFCUPK-CVEARBPZSA-N	236.318	2.733	0	1	BFAF	
CC[C@H](C)Nc1nc(N2CCC[C@H]2C)ncc1C	299877457	HIEJAABYPYIMNJ-NWDGAFQWSA-N	248.374	2.984	0	1	BFAF	
c1cc(C2CCC2)c2c(c1)N1CCNC[C@H]1CC2	1772592560	LYHDDVLVUMAKEC-CYBMUJFWSA-N	242.366	2.679	0	1	BFAF	
CCCCC[C@@]1(c2ccccc2)OC(=O)NC1=O	5820947	SVRUAQSFFVAKQJ-AWEZNQCLSA-N	247.294	2.729	0	1	BFAF	
C(\Cn1ccnc1)=C1/CCCc2occc21	13808215	AHZCDINNUVENGR-WCIBSUBMSA-N	214.268	2.896	0	1	BFAF	
CCCN1CCC=C(c2csc(C)n2)C1	26848298	MQLUFBOCYMRCRW-UHFFFAOYSA-N	222.357	2.951	0	1	BFAF	
CN1C(=O)CC[C@@]2(C)c3ccccc3CC[C@@H]12	40641515	DUPYOBAMKICXQY-HIFRSBDPSA-N	229.323	2.511	0	1	BFAF	
Cc1cc(CO)c2ccc3[nH]ccc3c2n1	96286005	GWAAXHGKCJZRCZ-UHFFFAOYSA-N	212.252	2.517	0	1	BFAF	
Cc1cccc2c3c([nH]c12)-c1n[nH]cc1CC3	96922161	KVXZZQSXNBOQLD-UHFFFAOYSA-N	223.279	2.965	0	1	BFAF	
CN1CC2(CCCCC2)[C@H](O)[C@@]12C=CCCC2	105498261	BSGLKPBTNUWHAD-ZFWWWQNUSA-N	235.371	2.722	0	1	BFAF	
C[C@]1(CO)C[C@H]2C[C@]3(C)CC[C@@](C)(C3=O)[C@H]2C1	238740080	DPURLFMGBJOYKI-IXDBCEGASA-N	236.355	2.790	0	1	BFAF	
CCCCOC(=O)c1ccccc1OC(C)=O	3588585	YDQOBYGKVPXOEF-UHFFFAOYSA-N	236.267	2.569	0	1	BFAF	biogenic
COc1cc(OC)c2cc(Cl)ccc2n1	28523281	PJBXMXPVFBWZRX-UHFFFAOYSA-N	223.659	2.905	0	1	BFAF	
O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1	28645438	XXUCOLALMNCRFY-UKRRQHHQSA-N	229.323	2.598	0	1	BFAF	
COc1cc(O)c(C)c2cc(C)ncc12	96927966	UBELMBVSZFQTKZ-UHFFFAOYSA-N	203.241	2.566	0	1	BFAF	
NC(=S)[C@H]1CCCc2cc3ccccc3nc21	137910800	PXLUSIZZJOCZTD-NSHDSACASA-N	242.347	2.941	0	1	BFAF	
N[C@H]1CC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3	587246855	RBJQAHQCPZHGTF-RYUDHWBXSA-N	241.338	2.646	0	1	BFAF	
COc1cccc(C)c1-c1nc2cccnc2[nH]1	587787009	PBOUNWWIGHYGQY-UHFFFAOYSA-N	239.278	2.942	0	1	BFAF	
O=C(O)/C=C/C=C\c1nc2c(Cl)cccc2[nH]1	587965381	LJGKNOOCHUTUOS-BHYIOOLYSA-N	248.669	2.870	0	1	BFAF	
Cc1ccnc2c1CCN[C@@]21CCC[C@@H]2C[C@@H]21	963064667	BVCMVAFFEKCKLU-OSAQELSMSA-N	228.339	2.551	0	1	BFAF	
C[C@H]1CC=C2C(C)(C)CC(=O)C[C@]2(C)O1	15274347	PYUYJSFTZPYHDW-ZANVPECISA-N	208.301	2.869	0	1	BFAF	endogenous,in-man
CN[C@H](Cc1ccc2c(c1)OCO2)C(C)(C)C	139089019	YBMARPZCTRNEOC-CYBMUJFWSA-N	235.327	2.592	0	1	BFAF	
Cc1ccc2c(ncn2Cc2ccccc2)n1	1772600152	NZTJAHCQCORRRZ-UHFFFAOYSA-N	223.279	2.788	0	1	BFAF	
COc1cc(-c2nccs2)cc(OC)c1O	1857595070	LOHMELIDFNBGAI-UHFFFAOYSA-N	237.280	2.533	0	1	BFAF	
C[C@@H]1C(=O)CCC(C)(C)[C@H]1C=CC1=CC(=O)OC1	2356713789	RYWMKAMLWXSVJC-JQWIXIFHSA-N	248.322	2.667	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@H](O)[C@H]2C1	2356747563	DSIAMBWSIUQISV-CRWXNKLISA-N	224.344	2.501	0	1	BFAF	
CCCN1CC[C@@H]2c3cc(O)ccc3CC[C@H]21	22864	LJDRQPOQHHOXHM-UKRRQHHQSA-N	231.339	2.906	0	1	BFAF	biogenic
CCCNc1cc(-c2cccs2)nc(N)n1	28362947	REMLCEAICRVKOF-UHFFFAOYSA-N	234.328	2.609	0	1	BFAF	
C[C@@H]1c2ccccc2CC[C@@H]1CC1=NCCN1	29252269	MEZACYPXNIKTMX-WCQYABFASA-N	228.339	2.744	0	1	BFAF	
CN(C)[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1	39214019	MYSBSINOEPDQMP-SNVBAGLBSA-N	232.302	2.726	0	1	BFAF	
COc1cccc(C(=O)[C@H](C)NC2CCCC2)c1	45339552	ZMRXSORFBXMBCB-NSHDSACASA-N	247.338	2.799	0	1	BFAF	in-vivo
C[C@@H]1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)O1	86021153	VXIZSNZJQJVFMK-XWIASGKRSA-N	210.317	2.949	0	1	BFAF	endogenous,in-man
CCn1c(O)c(C2=NCCC2)c2ccccc21	103521614	JNAVIMMVXFJGBJ-UHFFFAOYSA-N	228.295	2.950	0	1	BFAF	
CC(C)[C@@H]1C2=CC[C@H](O)CC[C@]2(C)CC[C@@H]1O	13398352	XUACVCOTFRNHJS-SPWCGHHHSA-N	238.371	2.891	0	1	BFAF	biogenic
C[C@]12CCC(=O)NC1=CCc1cc(Cl)ccc12	13861374	VAIZKBFWLGGIEL-CQSZACIVSA-N	247.725	2.948	0	1	BFAF	
Cc1ccc(C(C)C)c2c1C(=O)[C@@H](O)[C@H](C)C2	14445129	ZLJFAKPVJPQXDI-YGRLFVJLSA-N	232.323	2.854	0	1	BFAF	biogenic
O=C(O)/C=C/c1ccc(Cc2cccnc2)cc1	36242138	LQCAYYFREIEPOY-BQYQJAHWSA-N	239.274	2.770	0	1	BFAF	
COCc1ccc(F)c2c1CC[C@@H]2c1ncc[nH]1	40936741	XRQKVZIMSYVCGI-NSHDSACASA-N	246.285	2.773	0	1	BFAF	
CCC12C[C@H]3C[C@H](C1)CC(N(C)C)(C3)O2	101671984	WHLCHZNWMBDKMN-OKZRHMCRSA-N	209.333	2.633	0	1	BFAF	
CC(C)[C@]12CC[C@](C)(O1)[C@H]1CC[C@@H](C)[C@@H]1[C@@H]2O	195853746	CXEULTSNAOITBW-XZBVAUNFSA-N	238.371	2.987	0	1	BFAF	
N[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)C1CC1	587255327	DKUAXKFOVFIRMR-CYBMUJFWSA-N	241.338	2.852	0	1	BFAF	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)cc2[nH]1	587960718	AIHLRWVCVMIKFD-IUCAKERBSA-N	246.285	2.860	0	1	BFAF	
CC1=C2[C@H](O)[C@H]3CC[C@H](C)[C@@]2(C[C@@H]1O)C3(C)C	2356536343	JWRIVMKRTJGBEB-WGGGYHPKSA-N	236.355	2.501	0	1	BFAF	
CNC(=N)c1ccc2c(c1)Cc1ccccc1-2	13606111	OAZRQKORSLZFDR-UHFFFAOYSA-N	222.291	2.803	0	1	BFAF	
Clc1cccc(C2=C[C@H]3CC[C@@H](C2)N3)n1	27656936	QUUUMSOCFRUASJ-ZJUUUORDSA-N	220.703	2.643	0	1	BFAF	
CC1(C)C[C@H](O)[C@]23CC[C@H](O)[C@@](C)(CC[C@@H]12)C3	103218262	BWXJQHJHGMZLBT-YLXLXVFQSA-N	238.371	2.725	0	1	BFAF	
CN(C)CCCc1cc2c3c(cccc3n1)CC2	587212617	KCHJUFZDJLYQQT-UHFFFAOYSA-N	240.350	2.828	0	1	BFAF	
COc1ccc2nc(CCOCC3CC3)[nH]c2c1	587783299	MWFSVCBNBGNAAK-UHFFFAOYSA-N	246.310	2.541	0	1	BFAF	
Cc1nc(-c2ccc([C@@H](N)N=O)cc2)cs1	958040011	JODHENHWYHSTIK-NSHDSACASA-N	233.296	2.842	0	1	BFAF	
c1ccc(-c2ncc3c(n2)CCSC3)cc1	1772628328	BVRZMKNMPAVVQB-UHFFFAOYSA-N	228.320	2.933	0	1	BFAF	
CC(CO)=C1C[C@@H]2CC(C)(C)C[C@@H](O)C[C@@]12C	2356434306	LXJRMEUBHWOKPH-LALPHHSUSA-N	238.371	2.892	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C[C@@H]3OCC4=C3[C@@H](OC4)[C@@]12C	2356616877	JNYRITJWRVKNCG-DJOIZQNCSA-N	234.339	2.927	0	1	BFAF	
COC[C@]1(O)C[C@H]2[C@H]3CCC[C@@]2(C)[C@@]1(C)C3	2356779719	XADQQELMSKPYCU-ODXJTPSBSA-N	224.344	2.600	0	1	BFAF	
CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC(=O)[C@@]2(C)CCC1	14452291	FQTNFDVQCCTDIM-YJKIEOBBSA-N	248.322	2.644	0	1	BFAF	biogenic
CC(C)[C@@H]1CC[C@@]2(C)C(=O)CCC(CO)=C[C@H]12	14455711	GOLVWBBRGXFBMA-GZBFAFLISA-N	236.355	2.957	0	1	BFAF	biogenic
CN[C@]12CCCC[C@H]1Cc1ccc(OC)cc12	27742119	YNPJHPVRCSPJRY-SWLSCSKDSA-N	231.339	2.856	0	1	BFAF	
Cc1nc(/C=C/c2ccccc2)[nH]c(=O)c1C	29414546	VZJJQMIJOJXBJE-CMDGGOBGSA-N	226.279	2.557	0	1	BFAF	
CCn1c(C)cc(=O)c2ccc(Cl)cc21	40859996	HFZAQPHOAFUJHL-UHFFFAOYSA-N	221.687	2.983	0	1	BFAF	
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1	72316172	PEJDRJDQIFVYTC-PWSUYJOCSA-N	235.302	2.677	0	1	BFAF	
CC1=CC2=C(CC(C)(C)[C@@H]2O)[C@@H](C)CC[C@@H]1O	2356682257	IHFBKYWCINTNIX-QCZZGDTMSA-N	236.355	2.811	0	1	BFAF	
CC(=O)O[C@](C)(CCC=C(C)C)CC(=O)O	2356868597	XDQAADVUQAXNNI-GFCCVEGCSA-N	228.288	2.529	0	1	BFAF	
CC(C)[C@H]1CCC(CO)=C2CCC(CO)=C[C@@H]21	13381051	CZLSMUFSIVAINC-UKRRQHHQSA-N	236.355	2.670	0	1	BFAF	biogenic
CCc1ccc(CCN2CCC[C@H]2C)nc1	29131532	ZSJJIKXUSRBLQB-GFCCVEGCSA-N	218.344	2.671	0	1	BFAF	
COC(/C=C/C=C\c1ccccc1)=C/C(=O)O	223738544	UEXUYEGMVWZTNW-YONPWTHQSA-N	230.263	2.871	0	1	BFAF	
C/C=C/CCCOP(=O)(OC)OC	238745607	NUSJWRIBOIQJIL-SNAWJCMRSA-N	208.194	2.760	0	1	BFAF	
C[C@@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@@H]21	253685509	FMBYQEIJDWNYNT-MNUQXQRLSA-N	228.339	2.815	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@@](C)(O)[C@@H]2CC1	2356507979	NABFWTUELQMMDP-VYDRJRHOSA-N	238.371	2.747	0	1	BFAF	
C[C@H](CO)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@@H]2C1	2356728995	ZPYVXPAWWQZYPQ-LACSLYJWSA-N	240.387	2.828	0	1	BFAF	
CCN(CCO)C[C@@H]1CCC[C@@H]2CCCC[C@@H]21	13099556	OMNYFBVXUCYWNL-KKUMJFAQSA-N	239.403	2.907	0	3	BFAF	
O=c1cc(CN2CCCCC2)c2ccccc2o1	72139459	FSGAPYKVCWPLDY-UHFFFAOYSA-N	243.306	2.779	0	3	BFAF	
C/C(C(N)=O)=C(/C)c1ccc(Cl)cc1	1853894	QHPCRMAWOBQJGS-BQYQJAHWSA-N	209.676	2.619	0	1	BFAF	
COc1ccc2[nH]c3c(c2c1)CCN(C)[C@H]3C	14697394	KJRZKSZBOCUMNO-VIFPVBQESA-N	230.311	2.725	0	1	BFAF	biogenic
CCC/C=C/c1c(OC)cc(C)oc1=O	26643497	CFWKAJAJCVRACI-VOTSOKGWSA-N	208.257	2.770	0	1	BFAF	
O=C(CCCOc1ccc(O)cc1)C(F)(F)F	115388452	GWKVWLUZHRMDCP-UHFFFAOYSA-N	248.200	2.683	0	1	BFAF	
C[C@H]1[C@@H]2[C@@H]3[C@@H]4C[C@@]1(O)OC[C@]42CCCC3(C)C	169308173	YJPADJPVDTUSHA-MDFWMIKMSA-N	236.355	2.804	0	1	BFAF	
C/C=C(\C)[C@H](O)C[Si](C)(C)c1ccccc1	195453471	ZYNXCXLVQLRELY-IMBBRHANSA-N	234.415	2.929	0	1	BFAF	
C[C@@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@@](C)(CO)O2	2356684160	KSWAXHCUYHGSQZ-XDSHMYFISA-N	238.371	2.989	0	1	BFAF	
COc1cc(=O)oc(C)c1-c1ccc(C)cc1	26580301	OMDYPHYIDIRFEJ-UHFFFAOYSA-N	230.263	2.932	0	1	BFAF	
C[C@H]1CC[C@H]2[C@H]1C[C@]1([C@H](C)CO)CC[C@@]2(C)O1	197282028	QDCOGXJHEDTDOW-HGPDSQILSA-N	238.371	2.989	0	1	BFAF	
Cc1cnc2[nH]c([C@@H]3CCCC(=O)CC3)nc2c1	586885368	MHUJNNFIEMJCFR-SNVBAGLBSA-N	243.310	2.883	0	1	BFAF	
Clc1cncc2nc(CC3CC3)[nH]c12	587960005	UMJIBSXEMJJAQV-UHFFFAOYSA-N	207.664	2.564	0	1	BFAF	
Cc1c(O)cc(C=Cc2ccc(O)cc2)oc1=O	2356314359	DDJMTYQKHHPPOP-UHFFFAOYSA-N	244.246	2.530	0	1	BFAF	
CO[C@]12OC(=O)C=C1CC[C@H]1CC[C@H]2C=C1C	2356589207	UDEJAYYMTABHKD-UHIISALHSA-N	234.295	2.579	0	1	BFAF	
CC(C)N1O[C@H]2C[C@H]1c1nc3ccccc3n1C2	253966850	VVGIXYQMZGPIEN-GWCFXTLKSA-N	243.310	2.505	0	3	BFAF	
Clc1cccc2c1C[C@H](C[C@H]1CN=CN1)CC2	13862094	BMPZSZPBZNKNFC-JQWIXIFHSA-N	248.757	2.835	0	1	BFAF	
COc1ccc2c(c1)[C@]1(N)CC=CC[C@H]1CC2	26150077	QBQJGSVGTBUOKQ-WFASDCNBSA-N	229.323	2.762	0	1	BFAF	
CCC(=O)NCCCc1cccc2nc(C)oc12	27213443	NARZQXIFWXMPAP-UHFFFAOYSA-N	246.310	2.595	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O	34172615	SFJOMLIUSIKKRA-RKEKIRQTSA-N	238.371	2.725	0	1	BFAF	
CCC(=O)O[C@@H]1[C@@H]2CC=C(C)[C@H]1C2(C)C	34951167	IRFLZVJYCZYXNP-MVWJERBFSA-N	208.301	2.930	0	1	BFAF	
COc1ccc2[nH]cc(-c3cncn3C)c2c1F	1857602886	SZPZXWFDODZFDU-UHFFFAOYSA-N	245.257	2.716	0	1	BFAF	
CC1=CN([C@H](C)C(=O)O)C=C2[C]1CC[C@H]2C	2356833885	FNLBHKVYBFXXDK-PSASIEDQSA-N	220.292	2.567	0	1	BFAF	
NC[C@@H]1C2CCC(CC2)[C@H]1c1ccc(N)cc1	28003915	PXLQESYVKGYUPE-FBDPFYNOSA-N	230.355	2.747	0	1	BFAF	
COc1ccc([C@@H]2CCc3nc[nH]c3C2)cc1	40877055	XHDKEXKFBSPYHK-LLVKDONJSA-N	228.295	2.691	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@@H]3[C@@H]4C[C@@H]5[C@H]3C[C@H]2[C@@H]5[C@@]41C	195371745	LRNABWCLYGWJSN-BTAZDJDPSA-N	231.383	2.913	0	1	BFAF	
CCCCCC=CC[C@@H](O)[C@@H]1CCCC(=O)O1	2356375041	NQHBRMZRQSNJIZ-OLZOCXBDSA-N	240.343	2.970	0	1	BFAF	
CC1=C2[C@@H]3CC(C)(C)C[C@@H]3C(=O)[C@]2(C)C[C@@H]1O	13411735	DMCWLSNRDNSZJO-DZHLUBAWSA-N	234.339	2.709	0	1	BFAF	biogenic
Fc1cccc2c1C=C(C[C@@H]1CN=CN1)CC2	13862056	WPIIASRYSZGPAA-GFCCVEGCSA-N	230.286	2.546	0	1	BFAF	
C[C@H](O)CCCCCCC/C=C/C(=O)O	31162608	KAAJBSCPZVDDGA-UQSGXBNBSA-N	214.305	2.739	0	1	BFAF	in-vitro
Cc1cnc(N2CCC[C@@H]2C)nc1NCC1CC1	82201624	OKRGUUSKFPNIJJ-NSHDSACASA-N	246.358	2.596	0	1	BFAF	
CCCOC(=O)CSc1cccc(Cl)n1	84154661	KOMRAAAXESMFIF-UHFFFAOYSA-N	245.731	2.780	0	1	BFAF	biogenic,in-vitro
Fc1cncc(-c2nc3ccnc(Cl)c3[nH]2)c1	587176632	BMZGMIFEGDEQTJ-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
Fc1nc(Cl)ccc1-c1nc2cnccc2[nH]1	587178176	TWZRMDFCNDAFKC-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
COC(=O)C=C[C@@H]1c2ccccc2[C@H](OC)[C@@H]1C	1857623097	CMKYBWAWPBVWFW-JRPNMDOOSA-N	246.306	2.837	0	1	BFAF	
C[C@@H](O)[C@@H](Oc1ccccc1O)c1ccccc1	2356284189	RNGCFDHRKNSIIK-IAQYHMDHSA-N	244.290	2.893	0	1	BFAF	
CC=C(C)COc1ccc(CCO)cc1	2356635710	HOGUCXKKVUVUQS-UHFFFAOYSA-N	206.285	2.566	0	1	BFAF	
CC1=C2C[C@]3(C)C(=CCC[C@@H]3C)C[C@]2(O)OC1=O	14450169	WJTUALPSQZTCPQ-LNHVQRHZSA-N	248.322	2.705	0	1	BFAF	biogenic
Cc1cnc(N2CCC[C@H]2C)nc1NCC1CC1	82201626	OKRGUUSKFPNIJJ-LLVKDONJSA-N	246.358	2.596	0	1	BFAF	
COC(=C\C(=O)O)/C=C/C=C\c1ccccc1	169454030	UEXUYEGMVWZTNW-MSRZTINTSA-N	230.263	2.871	0	1	BFAF	
O=C1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]2N1	216143442	PVIFDNDJKTUTKA-MGPQQGTHSA-N	229.323	2.849	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CCC1=O	238755312	IENXBWLABXSOLK-FDRIWYBQSA-N	236.355	2.933	0	1	BFAF	
Cc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1F	587247030	LRSUJTCRZVDPDK-DTWKUNHWSA-N	233.290	2.605	0	1	BFAF	
Cc1cccc2[nH]c(/C=C/C=C/C(=O)O)nc12	587967334	HBWGYVUOFXHPFM-ZESFLVPWSA-N	228.251	2.525	0	1	BFAF	
Cc1cc(O)c(C)c2c1CC[C@@H]1[C@@H]2O[C@H](O)[C@@H]1C	1772647428	JBCANCDJOKSTJJ-BXLXJPJESA-N	248.322	2.597	0	1	BFAF	
CN(C)C(=S)Sn1ccc2ccccc21	1857533794	DRSUQEQZROEYSI-UHFFFAOYSA-N	236.365	2.984	0	1	BFAF	
CC(=CCO)[C@@H]1C=C2C(=CC[C@H](O)C2(C)C)CC1	2356325565	YOAXHSPUOPMCPG-ZFWWWQNUSA-N	248.366	2.979	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@@H]1C[C@@H](O)C=C[C@@H]1O	2356407228	SUVNWYDXCRSEDC-XUXIUFHCSA-N	224.344	2.667	0	1	BFAF	
CC1(C)CCC=C(c2ccc(C(=O)O)cc2)[C@H]1O	13415894	IMLJRZZCCDBCEP-CYBMUJFWSA-N	246.306	2.949	0	1	BFAF	biogenic
CCCCC[C@H]1C/C=C/[C@@H](O)CCCC(=O)O1	14683813	UYQOFPNMJKJWGM-JOVKLMRISA-N	240.343	2.970	0	1	BFAF	
C=C=CCN(C)[C@H](C)Cc1ccccc1	25991804	MGFVNVSRXDEAJK-CYBMUJFWSA-N	201.313	2.891	0	1	BFAF	
COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccccc1)O2	36177598	VEWNLDNSIXATRX-YIYPIFLZSA-N	246.306	2.511	0	1	BFAF	
NC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)O2	40892555	HNOUEKMTZJFLFM-AVJIGQEQSA-N	229.323	2.777	0	1	BFAF	
CC1(C)CN=C2c3ccccc3SC(=N)N2C1	95578958	FAYLTDOEIMSNRK-UHFFFAOYSA-N	245.351	2.815	0	1	BFAF	
Clc1ccc([C@@H]2C[C@@H]3CC[C@@H]2N3)cc1	100913940	ONGUNCXEJINACZ-SRVKXCTJSA-N	207.704	2.948	0	1	BFAF	
Fc1cncc(-n2ncc3cc(F)ccc32)c1	221342945	VODVMLPDFDPARC-UHFFFAOYSA-N	231.205	2.699	0	1	BFAF	
CCC[C@H](c1nc2cnncc2[nH]1)C(C)C	587956800	WPYMWZIXIWBZDM-VIFPVBQESA-N	218.304	2.893	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@H]3NC(=N)NC(=C1CC)[C@@H]23	2356460606	CEMGHQSRVMICPV-DNIRFERGSA-N	247.386	2.993	0	1	BFAF	
CC=CC=C[C@@]1(C)Cc2cc(O)cc(O)c2O1	2356610363	ZFYPJFBTPOWNFW-AWEZNQCLSA-N	232.279	2.924	0	1	BFAF	
CC(C)=CCOc1cc(O)c2ccc(=O)oc2c1	13481531	HOULBXRCMJRUKO-UHFFFAOYSA-N	246.262	2.844	0	1	BFAF	biogenic
Cc1cc2nnc(C)n2nc1-c1ccc(F)cc1	27655239	RWBPLXDOFLCTCC-UHFFFAOYSA-N	242.257	2.547	0	1	BFAF	
CC/C=C1\C[C@H]2CNc3ccccc3C(=O)N2C1	73196189	MGYWULAVXWGTIC-JVOXIWMLSA-N	242.322	2.663	0	1	BFAF	
C[C@@H]1[C@H](O)CCN[C@@H]1/C=C/C=C/c1ccccc1	212221294	BDDSGELKWZUGTC-FJDPMYFWSA-N	243.350	2.615	0	1	BFAF	
CC(=O)c1ccc(-c2nc3ccncc3[nH]2)cc1	299830531	WOBNZDVWZBZDTJ-UHFFFAOYSA-N	237.262	2.828	0	1	BFAF	
CC(C)[C@@H](O)[C@H]1CC[C@]2(C)[C@H]3CC[C@](C)(O3)[C@H]12	1857621477	ASUZIAXIZHBCLL-OJVARPOJSA-N	238.371	2.987	0	1	BFAF	
COc1ccc2c(c1)[C@@H](CN)c1ccccc1C2	40976768	UKAGNBPAZOMJAO-INIZCTEOSA-N	239.318	2.690	0	1	BFAF	in-vivo
Cc1cncc2nc(-c3ccc(F)c(N)c3)[nH]c12	587139319	GLPBMCSHTYISQR-UHFFFAOYSA-N	242.257	2.655	0	1	BFAF	
NO[C@H](c1ccccc1)c1cc(F)cc(F)c1	1857609711	QKVLZYHOAXRKEM-CYBMUJFWSA-N	235.233	2.945	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@]3(C)CCC(CO)=C3[C@@H]2C1	2356324167	HGQHREUJQQAMKD-JRPNMDOOSA-N	234.339	2.711	0	1	BFAF	
CC(CO)=C1C[C@@H]2CC(C)(C)C[C@H](O)C[C@]12C	2356434308	LXJRMEUBHWOKPH-XUJVJEKNSA-N	238.371	2.892	0	1	BFAF	
CC[C@@H](CO)C[C@H]1C=Nc2ccccc21	2356703078	KYMUBSJHMVUNMT-MNOVXSKESA-N	203.285	2.895	0	1	BFAF	
CC1=C(N)N(Cc2cccc(C)c2)[CH]C=C1	2356828971	JHXAKYWFGUMFEN-UHFFFAOYSA-N	213.304	2.719	0	1	BFAF	
CC[C@H]1CCc2c(n(C)c3ccccc3c2=O)O1	345803	QWPPFJOKFAZOGR-JTQLQIEISA-N	243.306	2.642	0	3	BFAF	
CC1(C)O[C@@]2(C)C[C@@H]3CC[C@H](CO)[C@H](C2)[C@@H]31	85543386	AHUCWEUMKLDGDH-XJGUIPMBSA-N	224.344	2.599	0	1	BFAF	biogenic,in-vitro
CCN(Cc1cnc[nH]1)c1ccc(F)c(F)c1	96177493	BKPYZFRTPMOBCU-UHFFFAOYSA-N	237.253	2.714	0	1	BFAF	
C[C@H](Cc1ccccc1Cl)C1=NCCN1	473119496	AYNXDFXUPKGGFC-SECBINFHSA-N	222.719	2.520	0	1	BFAF	
N[C@@H](N=O)c1ccc2nc(C3=CCCC3)[nH]c2c1	586884582	RDJXIGYXFYXLIA-LBPRGKRZSA-N	242.282	2.854	0	1	BFAF	
O=C1CCc2cc3nc(C4CCC4)[nH]c3cc2N1	586884979	TWIKHAHBPPYZIZ-UHFFFAOYSA-N	241.294	2.715	0	1	BFAF	
C[C@H](F)[C@@H](N)c1nc2ccc3c(c2[nH]1)CCCC3	587126062	VKIDCARAZFLJIP-QPUJVOFHSA-N	247.317	2.800	0	1	BFAF	
C(=C1CCC1)c1nc2cc3c(cc2[nH]1)OCO3	587965131	OELRYEIGHROZTQ-UHFFFAOYSA-N	228.251	2.859	0	1	BFAF	
C[C@H]1CC[C@@]2(C)[C@@]3(C)CC[C@@H](C[C@@H]13)[C@]2(O)CO	2356625974	GXIANPKKUSLVEE-WCBJTDJXSA-N	238.371	2.582	0	1	BFAF	
C[C@H](O)C[C@@H]1CCC[C@@H]2C[C@H](C)C[C@H](C)N12	2356812264	BJAAYFAOLGNUCH-HTOAHKCRSA-N	225.376	2.799	0	1	BFAF	
CC(=O)CC[C@H](C(C)C)[C@@H]1[C@@H]2CCC(=O)[C@@H]21	14926690	GDQRIBRXZMXMRL-ZMJPVWNMSA-N	222.328	2.853	0	1	BFAF	biogenic
Clc1ccc2c(n1)CC[C@@H]1[C@@H]2[C@@H]2CC[C@H]1N2	28001386	YFIIBDQLLAQNAF-PYEWSOSRSA-N	234.730	2.515	0	1	BFAF	
Oc1cc2c(cc1Cl)CCN=C(C1CC1)N2	45298383	AVRNGSQFNMEKSG-UHFFFAOYSA-N	236.702	2.822	0	1	BFAF	
CC(C)Oc1[nH]cnc2c3ccccc3nc1-2	101864467	ZQQIQFNCBBPRIK-UHFFFAOYSA-N	227.267	2.850	0	1	BFAF	
COCc1c2occc2cc2ccc(=O)oc12	238789217	PCWZKQSKUXXDDJ-UHFFFAOYSA-N	230.219	2.686	0	1	BFAF	
C[C@@H](c1cc(O)c2ncccc2c1)N(C)C	1857589862	DPGSOVFSLGWHHW-VIFPVBQESA-N	216.284	2.563	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)[C@H](O)C[C@H]2C(C)C)[C@@H](O)C1	2356535935	CPFGTXNXFPHSEY-FQUUOJAGSA-N	236.355	2.667	0	1	BFAF	
Cc1cccn2c(=O)c3c(nc12)CCCCCC3	29338940	LXNVEUMLGBOPIP-UHFFFAOYSA-N	242.322	2.662	0	1	BFAF	
COc1ccc2c(c1)CCC(OC=O)=C2Cl	72170615	DPEIAHVTQZIGMN-UHFFFAOYSA-N	238.670	2.722	0	1	BFAF	
NC(=O)/C=C1/CCc2cc(Cl)cc(Cl)c21	221308331	IPFAAOXZQWBXKA-DAXSKMNVSA-N	242.105	2.808	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2c(C)nccc2[nH]1	586909386	DWPQHCPIJOOJIN-JQWIXIFHSA-N	245.326	2.939	0	1	BFAF	
C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1cncnc1)C2(C)C	1857746426	BMNLISYOTFKAFZ-RUZUBIRVSA-N	245.370	2.637	0	1	BFAF	
Cc1ccc2c(c1)Oc1ccccc1S2(=O)=O	13779743	CBLCADUNWWRLLJ-UHFFFAOYSA-N	246.287	2.934	0	1	BFAF	
COc1ccc2c(c1)CC[C@H]1C[C@@H](O)CC[C@@H]21	29477923	QQFIENYLNLQMEZ-VHRBIJSZSA-N	232.323	2.886	0	1	BFAF	
CCCCNc1nc(N2CCC[C@@H]2C)ncc1C	82201635	KLZZSVXJMRSGKP-LBPRGKRZSA-N	248.374	2.986	0	1	BFAF	
COc1cc(O)cc2c1-c1cccc(O)c1CC2	238742894	VJGTXUJDAADHGJ-UHFFFAOYSA-N	242.274	2.872	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2c(Cl)ncnc2[nH]1	586889657	MJZWEZRCTSOUFW-KBUNVGBDSA-N	236.706	2.910	0	1	BFAF	
CSc1ccc2nc(CC3CC(N)C3)[nH]c2c1	587255573	QVIHGFHPINPBEI-UHFFFAOYSA-N	247.367	2.565	0	1	BFAF	
CC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C	13736137	IXBQQRJVGUUKAO-JJXSEGSLSA-N	243.350	2.842	0	1	BFAF	
Sc1ccnc2cc(-c3ccccc3)nn12	27705175	FZTKLHIDXDSSCW-UHFFFAOYSA-N	227.292	2.685	0	1	BFAF	
C[C@]12CC[C@@H]3CC(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O	29482215	HHPUADWBUUWGBY-QJPDTAOJSA-N	222.328	2.543	0	1	BFAF	
Cc1c(O)ccc2c1CC[C@]1(C)[C@@H](O)CC[C@H]21	29483217	JCOCQDKHVDAJMG-SNPRPXQTSA-N	232.323	2.891	0	1	BFAF	
CNC(=O)c1sc2scc(C)c2c1C	33670174	AMJUDXPKTATKQQ-UHFFFAOYSA-N	225.338	2.939	0	1	BFAF	
CC(=O)N/C(=C/c1ccccc1)c1ccncc1	36382734	ULPZGKIBGCELCI-RVDMUPIBSA-N	238.290	2.716	0	1	BFAF	
CCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C	100704256	ZMAYVLNGIHEQKO-XZJROXQQSA-N	245.366	2.936	0	1	BFAF	
Nc1ccc2c(c1)[C@H]1CN[C@H](C2)c2ccccc21	100740054	PKQWOQOLRMDAHZ-JKSUJKDBSA-N	236.318	2.601	0	1	BFAF	
COc1cccc2ccc(O)c(OC)c12	238783447	LBRYEFANWPVRTK-UHFFFAOYSA-N	204.225	2.563	0	1	BFAF	
CC[C@@H](C)CCc1cc(O)c(C)c(=O)o1	2356795097	IHTSJVCQAKTIMC-MRVPVSSYSA-N	210.273	2.633	0	1	BFAF	
CC1(C)C=Cc2c(O)cc3oc(=O)ccc3c2O1	5302551	BMRPYLPZRMZUOP-UHFFFAOYSA-N	244.246	2.683	0	1	BFAF	biogenic
CCC(=O)O[C@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@H]21	100047366	BLBJUGKATXCWET-JCIQBVFBSA-N	206.285	2.540	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1[C@@H]1C[C@@]1(C)[C@@H](O)CC[C@]2(C)O	100780703	USFOCJBPTUMHRF-OZJAWHRTSA-N	238.371	2.581	0	1	BFAF	endogenous,in-man
Clc1ncc(-c2nc3cnccc3[nH]2)s1	587023102	KAYFPMQAGJQFMC-UHFFFAOYSA-N	236.687	2.735	0	1	BFAF	
COC=Cc1cc2ccc(=O)oc2cc1C	2356485416	GENWIQAWAHKDHA-UHFFFAOYSA-N	216.236	2.719	0	1	BFAF	
Cc1ccc(C)c([C@]2(O)C[C@@H](C)N(C)C[C@@H]2C)c1	1274115	SPCLRIAZWZKWNU-LZWOXQAQSA-N	247.382	2.851	0	3	BFAF	
C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(=O)C(C)C)[C@H]12	14496010	OQRJYRPZPATIRR-ABHRYQDASA-N	236.355	2.955	0	1	BFAF	biogenic
COCc1cc2c(C)cc3c(c2[nH]1)C(=O)CC3	15119204	VFDQVUNDMCTZLN-UHFFFAOYSA-N	229.279	2.752	0	1	BFAF	biogenic
CCC[C@@H](C)c1c(O)nc(=S)n(CC)c1O	16662339	UJUKZIQDACSBRV-SSDOTTSWSA-N	242.344	2.947	0	1	BFAF	
c1ccc(C2=NO[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1	17210373	YNXKJMWFYRXAGQ-SFTQSGBHSA-N	213.280	2.836	0	1	BFAF	
C(=C\c1ccccc1)\CCNCCc1c[nH]cn1	29403614	SITVPGHFCGFCRO-YWEYNIOJSA-N	241.338	2.645	0	1	BFAF	
c1nc([C@H]2C[C@H]2CNCC2CCCCC2)c[nH]1	35033879	SGHHKDMDVKJWOL-STQMWFEESA-N	233.359	2.683	0	1	BFAF	
COc1cccc([C@H]2CCc3nc[nH]c3C2)c1	40875211	PKWGMVNCXHYOBP-NSHDSACASA-N	228.295	2.691	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1C[C@@H]1C4)CC2	587215520	PSUGDTFJFIIZKW-MWLCHTKSSA-N	207.276	2.993	0	1	BFAF	
O=C1c2ccccc2NC2=CCCCCN12	1857538837	HBEJFHWHFIAMAI-UHFFFAOYSA-N	214.268	2.580	0	1	BFAF	
O=C(c1ncoc1-c1ccco1)N1CCCCC1	21642019	QTNVPIZERYDEOZ-UHFFFAOYSA-N	246.266	2.561	0	1	BFAF	
COc1ccc2c(c1)[C@H](c1ccco1)OC2=O	29313382	GLSWWZNOFOCEPJ-GFCCVEGCSA-N	230.219	2.548	0	1	BFAF	
C[C@H](O)CC[C@@H](C)/C=C1/C=C[C@@H]2CCCN2C1	238753663	AYXNBUOZKHOIPL-XVUJZPSYSA-N	235.371	2.744	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@H]1C=CC[C@H]21	253640306	KQEBFIGSBWGPFB-LFIJZLDSSA-N	226.323	2.545	0	1	BFAF	
CCCN1CC[C@@H]2Cc3c(cccc3OC)C[C@@H]21	13826547	HDCVYYTWHHFQGS-HIFRSBDPSA-N	245.366	2.894	0	1	BFAF	
C[C@H](Nc1nc2ccccc2c(=O)[nH]1)C(C)(C)C	26575761	UYFKYHAHTUXZLH-VIFPVBQESA-N	245.326	2.770	0	1	BFAF	
CC[C@H]1c2cc(OC)c(OC)cc2CCN1C	169309108	GMODQPOUSSZBSO-LBPRGKRZSA-N	235.327	2.643	0	1	BFAF	
C[C@@]12Oc3ccc(Cl)cc3[C@@H]1CCOC2=O	169334228	OQRRPPTYQQQKGN-JOYOIKCWSA-N	238.670	2.522	0	1	BFAF	
O=C1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]2C1	587215777	UXLDTFDHYYMEDC-GWCFXTLKSA-N	249.313	2.952	0	1	BFAF	
CC[C@@]1(CSC)NCCc2ccc(O)cc21	963341621	NPJXOSPLVROTFG-ZDUSSCGKSA-N	237.368	2.506	0	1	BFAF	
O=c1cccc(C=Cc2ccc3c(c2)OCO3)o1	2356549854	HVUYPPPEYCNSFQ-UHFFFAOYSA-N	242.230	2.539	0	1	BFAF	
C[C@H]1CC[C@]2(O1)C(C)(C)CCC[C@@]2(C)O	2561199	LJOISVFAMDWVFA-UHTWSYAYSA-N	212.333	2.885	0	1	BFAF	endogenous,in-man
Clc1cc([C@H]2C[C@@H]3CC[C@H]2N3)cnc1Cl	13491716	LYYHSRQOEYGVSA-QXFUBDJGSA-N	243.137	2.996	0	1	BFAF	
CCCN(CCC)[C@H]1CCc2c(ccn2C=O)C1	13642194	XTKNAIQXSUEZPU-AWEZNQCLSA-N	248.370	2.506	0	1	BFAF	
O=C1CCC(=C2C[C@H]3[C@H]4C[C@@H]([C@H]3C2)[C@H](O)C4)CC1	13835456	UNLZEDPWRQTNSP-VLVIQNCWSA-N	246.350	2.853	0	1	BFAF	
C=Cc1c2[nH]c3ccccc3c2c(OC)c[n+]1C	29404812	HALDMLPSECSTJQ-UHFFFAOYSA-O	239.298	2.797	0	1	BFAF	
Cc1ccccc1-n1cc(-c2ccccn2)nn1	72159967	YJTGANTZGGBEDN-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
CC[C@@H]1CN(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)C2	299847205	YGBLHUUAVFIEJK-WWGRRREGSA-N	245.366	2.936	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)F)O2	587381512	GLJYTJVYFLISPM-AMIZOPFISA-N	237.274	2.659	0	1	BFAF	
CC(C)[C@@H](/C=C/[C@H](C)O)CC[C@H](C)CO	1615943	KMASBAKBQVORTA-UIHJGBRISA-N	214.349	2.604	0	1	BFAF	
Cc1cc(O)oc2nnc(-c3ccccc3)c1-2	6507144	BAFZVTPCCHFFND-UHFFFAOYSA-N	226.235	2.855	0	1	BFAF	
CC(C)[C@@H]1C2=CC[C@H](O)CC[C@]2(C)CC[C@H]1O	13398346	XUACVCOTFRNHJS-ZGKBOVNRSA-N	238.371	2.891	0	1	BFAF	biogenic
CCC(=O)[C@H](C)C[C@@H](C)[C@@H](CC)OC(C)=O	14448072	AUERNSKMEZMHFW-GIPNMCIBSA-N	228.332	2.970	0	1	BFAF	biogenic
Cn1c2c(c3ccccc31)CCc1cnoc1-2	96922156	MYLNBUULUBUOTO-UHFFFAOYSA-N	224.263	2.932	0	1	BFAF	
Cn1cncc1-c1cnc(-c2ccccc2)nc1	118621827	QQDLPLQRKLLQGA-UHFFFAOYSA-N	236.278	2.544	0	1	BFAF	
CCCCCOCC(=O)COCCCCC	118880777	YQXJAPQAQZFYIJ-UHFFFAOYSA-N	230.348	2.969	0	1	BFAF	
C=C[S@](=O)c1cc(O)c2ccccc2c1O	169729666	DITPMQLCKMZZNK-INIZCTEOSA-N	234.276	2.502	0	1	BFAF	
COc1ccc2nc(COC(F)(F)F)[nH]c2c1	587124072	LFGXIWDTHGCMLN-UHFFFAOYSA-N	246.188	2.608	0	1	BFAF	
Oc1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967939	UWCRNLXZSSJUMW-IVZWLZJFSA-N	226.279	2.948	0	1	BFAF	
COC(=O)[C@@H](C)CC(=O)c1ccc2[nH]ccc2c1	2356483342	YXIVTEXUSXUMIT-VIFPVBQESA-N	245.278	2.550	0	1	BFAF	
CCCCCC[C@H]([C@H](C)O)n1cccn1	12405529	IJCXQZWAZPGFQK-NWDGAFQWSA-N	210.321	2.775	0	1	BFAF	
O=c1cc(-c2ccco2)c(-c2ccccc2)n[nH]1	13588735	IIQLYJDXBKXFTR-UHFFFAOYSA-N	238.246	2.697	0	1	BFAF	
CC1=C2CC(=C(CO)CO)CC[C@@]2(C)CCC1	15206407	PRRZCMHQUNHRIB-OAHLLOKOSA-N	236.355	2.958	0	1	BFAF	biogenic
CC1(C)Cc2cccc(Cl)c2C=[N+]1[O-]	34516678	NSRXIFDRAWXLCL-UHFFFAOYSA-N	209.676	2.604	0	1	BFAF	
O=C1CCC[C@@H](c2nc3ccc(O)cc3[nH]2)CC1	586883419	BXPLHSYHEMHSOF-SECBINFHSA-N	244.294	2.885	0	1	BFAF	
Cc1nc(N)c2nc(-c3ccccc3)sc2n1	1857554797	ZJNIOCHSLZRXEL-UHFFFAOYSA-N	242.307	2.644	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)C[C@@]2(O)CCC1=O	1854894	IENXBWLABXSOLK-FIXIBIHLSA-N	236.355	2.933	0	1	BFAF	
C[C@H]1C[C@H]1COc1cccc2ccc(N)nc12	28392274	HIZPONGXBADBFM-ONGXEEELSA-N	228.295	2.852	0	1	BFAF	
Nc1cccc(-c2cnc3ccc(Cl)nn23)c1	146316693	QPIYTIVQAQQCFP-UHFFFAOYSA-N	244.685	2.632	0	1	BFAF	
Cc1cccc2nc(C[S@](=O)CC3CC3)[nH]c12	586960142	SSPPNWUFZISMTH-QGZVFWFLSA-N	248.351	2.530	0	1	BFAF	
c1c(-c2nc3cnncc3[nH]2)sc2c1CCC2	587037787	YIMQCJJQKIHFKG-UHFFFAOYSA-N	242.307	2.570	0	1	BFAF	
CN1c2ccccc2[C@@]23CCCC[C@@]12NCC3	2356404883	ZUFLZTBSMIZYAQ-LSDHHAIUSA-N	228.339	2.638	0	1	BFAF	
CC(=CCC[C@]1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1O)CO	2356696097	HXGLSGRFISFKKO-ZQDZILKHSA-N	238.371	2.892	0	1	BFAF	
c1ccc2c(c1)Cc1ccccc1C21CCNC1	1494860	LKSUTFUZSGZMOS-UHFFFAOYSA-N	235.330	2.870	0	1	BFAF	
COc1ccc2c(c1)CCC[C@@H]2c1c[nH]cn1	3826262	PDZOBADSVBKQKE-ZDUSSCGKSA-N	228.295	2.887	0	1	BFAF	
NCc1c(-c2ccccc2)ccc2nc[nH]c12	11687646	IYXQHXUCPDCZDQ-UHFFFAOYSA-N	223.279	2.689	0	1	BFAF	in-vivo
C[C@@]12CCC(=O)NC1=CCc1cc(Cl)ccc12	13861373	VAIZKBFWLGGIEL-AWEZNQCLSA-N	247.725	2.948	0	1	BFAF	
CSc1ccc(C[C@H](C)N(C)O)cc1	49013991	SQRQFCPZJCFFPA-VIFPVBQESA-N	211.330	2.661	0	1	BFAF	
O=c1oc(-c2ccccc2C(F)(F)F)ns1	138964649	UCAHWVSZDRQADM-UHFFFAOYSA-N	247.197	2.782	0	1	BFAF	
CC1=C2C[C@@]3(C)C(=C[C@]2(O)OC1=O)CCC[C@@H]3C	238734865	VCKBXFCIXKWWAI-AMFBXLIHSA-N	248.322	2.705	0	1	BFAF	
Cc1c(CC2=NCCN2)cccc1C(C)C	474607096	JLJIZCWIVJSNPI-UHFFFAOYSA-N	216.328	2.663	0	1	BFAF	
CC(C)C[C@H](O)c1nc2ccc(F)c(F)c2[nH]1	586900613	HPBYTDLDXPNNKO-VIFPVBQESA-N	240.253	2.921	0	1	BFAF	
CCc1cc2c(O)nc(O)nc2nc1[C@H](C)CC	587560715	DRIZXINQDFVKIE-SSDOTTSWSA-N	247.298	2.512	0	1	BFAF	
CC=C[C@@H]1C[C@@H](O)c2cc(C)ccc2O1	2356461827	VQTRDZXQXYYUPP-ZYHUDNBSSA-N	204.269	2.756	0	1	BFAF	
CC1(C)[C@]2(O)CC[C@]1(C)C1=CC[C@](C)(O)[C@@H]1C2	2356511502	CACULIXBSFBBKT-RZFFKMDDSA-N	236.355	2.645	0	1	BFAF	
Cc1ccccc1/C=C/c1cc[n+](C)cc1	3161365	XDOZFXDLAWMPJK-BQYQJAHWSA-N	210.300	2.990	0	3	BFAF	
O=c1ccc2ccc(OCC(F)(F)F)cc2o1	29486064	PNOSORGAWOJCAG-UHFFFAOYSA-N	244.168	2.734	0	1	BFAF	
O=C(O)c1cccc2nc3cccc(F)c3nc12	34165249	DNSUDXZIDIVMGN-UHFFFAOYSA-N	242.209	2.620	0	1	BFAF	
CC1=C(CC2=NCCN2)CCc2ccccc21	100688758	CMFMFKYITXSFQA-UHFFFAOYSA-N	226.323	2.798	0	1	BFAF	
C[C@H]1C(=O)Oc2ccc(C(=O)c3ccco3)cc21	100796752	NBKJBEMAODWPQP-MRVPVSSYSA-N	242.230	2.533	0	1	BFAF	
C[C@H](OCN1C=CN(C)/C1=C\N=O)C(C)(C)C	136840716	ZFCHOIXDYDKFFE-NGPGYTDTSA-N	239.319	2.679	0	1	BFAF	
C[C@@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)CN2C	169317639	GETRQXWXJRSCAP-KCPJHIHWSA-N	231.339	2.764	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cnccc2[nH]1	586893288	XHKFJQDFHTXZBA-QPUJVOFHSA-N	201.273	2.862	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3[C@@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@]12C	169373091	LRNABWCLYGWJSN-NEFOLXTPSA-N	231.383	2.913	0	1	BFAF	
C[C@@H]1C[C@@H](C)O[C@@]2(C1)C(=O)Nc1ccccc12	195426178	PUASAJJEJHCSGU-GPCCPHFNSA-N	231.295	2.669	0	1	BFAF	
Nc1snc2cc(-c3ccccc3)cnc12	223260081	PIXIUHWPNRGQIU-UHFFFAOYSA-N	227.292	2.941	0	1	BFAF	
C/C(N)=C\c1cc2c3c(cccc3n1)CC2	587211106	LUVDAIMDGWXSMF-VQHVLOKHSA-N	210.280	2.653	0	1	BFAF	
CNc1nc2cc(C)sc2n2c(C)cnc12	28950760	NVDHVRGVHGTHNQ-UHFFFAOYSA-N	232.312	2.603	0	1	BFAF	
O=N[C@@H](Cl)C(=O)c1ccc(Cl)cc1	219401531	YDDKWHAMOYIKNP-MRVPVSSYSA-N	218.039	2.854	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@](C)(OC2(C)C)[C@H]3O	238756573	LEPZJUGXJVBWGQ-WZUGGRCDSA-N	238.371	2.987	0	1	BFAF	
CC(C)=CCc1c(O)cc(O)c(C=O)c1C	1911583110	XRGTWRDELUZQAZ-UHFFFAOYSA-N	220.268	2.727	0	1	BFAF	
CC(=CCO)[C@H]1C=C2C(=CC[C@H](O)C2(C)C)CC1	2356325561	YOAXHSPUOPMCPG-HIFRSBDPSA-N	248.366	2.979	0	1	BFAF	
CCC[C@@H]1Cc2ccccc2N1C(C)=O	36387577	AJWLTZWAXIBLDE-GFCCVEGCSA-N	203.285	2.764	0	3	BFAF	
CCCCCc1cc(=O)c2c(O)cc(O)cc2o1	13310852	RRXJAIGMEWAMBV-UHFFFAOYSA-N	248.278	2.937	0	1	BFAF	biogenic
COC(=O)[C@H]1Sc2cccc3[nH]cc(c23)[C@@H]1C	13480038	PPJMAHSZINPUCH-MADCSZMMSA-N	247.319	2.919	0	1	BFAF	biogenic
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	15208196	MOURJLAFUXNWJF-QVHKTLOISA-N	238.371	2.891	0	1	BFAF	
CCC[C@H]1C[C@H]2CCCCN2[C@H]2CCCN12	19328493	LYCOMYYBFDXJFS-BFHYXJOUSA-N	222.376	2.835	0	1	BFAF	
CC(C)OC(=O)CCCCCCCCO	238732184	AAYOMAGHACYWJR-UHFFFAOYSA-N	216.321	2.661	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CC[C@H]2CN3)cn1	299806042	VFQOGPACCHRZIN-GDPRMGEGSA-N	222.719	2.591	0	1	BFAF	
O=NCc1ccc(-c2nc3ncccc3[nH]2)cc1	587189666	DNOFWJSQJJOJDJ-UHFFFAOYSA-N	238.250	2.891	0	1	BFAF	
CCCc1c(O)ccc2c1O[C@H](C)CC2=O	587478617	GTSHZYNKUGXFSK-MRVPVSSYSA-N	220.268	2.698	0	1	BFAF	
CC(C)CN1C(Nc2ccccc2)=NC[C@@H]1C	15924714	MAFSYASCVXATIS-LBPRGKRZSA-N	231.343	2.815	0	3	BFAF	
CCCCN1C(S)=NC[C@@H]1Cc1ccccc1	15952986	LFTIUFQVEXYXLU-ZDUSSCGKSA-N	248.395	2.999	0	3	BFAF	
CCSC(=N)Nc1ccc(N(C)C)cc1	13762703	IJTOEDSMBVFTHY-UHFFFAOYSA-N	223.345	2.852	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1CCC[C@H](O)[C@@H]21	26279804	JPZCKUFDKXCMRK-UHOFOFEASA-N	246.374	2.575	0	1	BFAF	
CCC(=O)NC[C@@H]1CCCc2ccc(OC)cc21	26982107	IITITOBMRLGGSI-LBPRGKRZSA-N	247.338	2.641	0	1	BFAF	
Cc1ccc(N)c(C#Cc2ccc(F)cc2)n1	34217760	PMSIVLUKLPUCEB-UHFFFAOYSA-N	226.254	2.511	0	1	BFAF	
CC1=C2CC[C@]2(C)[C@H]2C[C@@](C)(CO)C[C@H]2[C@@H]1O	35050025	MEVZCEUQLGKJKW-HUGQBSPZSA-N	236.355	2.502	0	1	BFAF	
c1ccc(-c2n[nH]cc2-c2ccncc2)nc1	72116264	BBCZFQGWUUVLBW-UHFFFAOYSA-N	222.251	2.534	0	1	BFAF	
COCCNc1cc(-c2ccc(C)cc2)ncn1	82161052	POYKLPXDFTXJDC-UHFFFAOYSA-N	243.310	2.510	0	1	BFAF	
COC(=O)CC[C@H]1C(=S)N(C)c2ccccc21	100368895	XUVRAMTZZUYTTG-SNVBAGLBSA-N	249.335	2.501	0	1	BFAF	
CN1[C@H]2C=C(c3cccnc3)C[C@H]1CCC2	101075946	APTUPAXCDMGCCK-ZIAGYGMSSA-N	214.312	2.722	0	1	BFAF	
O=C1CCC[C@@H](c2nc3cccnc3[nH]2)CC1	586883736	DHJPTCPLJFQCJO-SECBINFHSA-N	229.283	2.575	0	1	BFAF	
C[C@]12N[C@H](Cc3ccccc31)C1=CC=CC[C@@H]12	26000947	USXOTRZXKQMLJY-XHSDSOJGSA-N	223.319	2.932	0	1	BFAF	
CCCN(CCC)CCc1ccc2nn[nH]c2c1	27328159	FDQPYJACWKLJIS-UHFFFAOYSA-N	246.358	2.622	0	1	BFAF	
O=C1C[C@@H]2c3ccc4ccccc4c3O[C@@H]2O1	98085246	CQZXWMWTIYBXIL-RISCZKNCSA-N	226.231	2.589	0	1	BFAF	
C=CC1=C([C@@H]2CO[C@H]3OC(=O)C[C@@H]32)CC(C)(C)C1	13436821	FZBGHAWOESBUMD-QKCSRTOESA-N	248.322	2.825	0	1	BFAF	biogenic
CCCCN1CCc2cccc(O)c2CC1	13728506	LLOMAHVTVGHSNN-UHFFFAOYSA-N	219.328	2.593	0	1	BFAF	in-vivo
Cc1ccc2[nH]c3c(c2c1)C[C@@H](N(C)C)CC3	39214011	AYXLCWIRNIVYDX-NSHDSACASA-N	228.339	2.895	0	1	BFAF	
CC1=CC(C)(C)NC(=S)N1Cc1ccco1	101108686	CEKFBJXGIHDHDB-UHFFFAOYSA-N	236.340	2.652	0	1	BFAF	
NC(=O)n1ccc2ccc(-c3ccccc3)nc21	103236228	YPDGIAGNYKWFKQ-UHFFFAOYSA-N	237.262	2.630	0	1	BFAF	
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccccc1)O2	261177392	VEWNLDNSIXATRX-IGQOVBAYSA-N	246.306	2.511	0	1	BFAF	
Clc1cc2nc(C3CC4(COC4)C3)[nH]c2cn1	586915464	DJLBFLYGIRNCLX-UHFFFAOYSA-N	249.701	2.505	0	1	BFAF	
c1cnc2c(c1)[C@H](CCn1ccnc1)CCC2	13808188	VPDLANZEXFQJSQ-LBPRGKRZSA-N	227.311	2.788	0	1	BFAF	
Cc1cc2ccc3c(c2oc1=O)CCCC3	13821936	AVQMGXFCHGPPQH-UHFFFAOYSA-N	214.264	2.980	0	1	BFAF	
CC1=CC[C@]2(O)[C@@H](C)CC[C@H](C(C)C)C(=O)[C@@H]12	14454449	AOLHQRLQINUETQ-JLNYLFASSA-N	236.355	2.955	0	1	BFAF	
CNCc1ccc(-c2nn(C)c3ccccc23)o1	73198548	JVWUJLHXHXHUDJ-UHFFFAOYSA-N	241.294	2.553	0	1	BFAF	
CC[C@H](CO)C[C@H]1C=Nc2ccccc21	238771378	KYMUBSJHMVUNMT-QWRGUYRKSA-N	203.285	2.895	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(OC)ncc2[nH]1	586890746	OZXIYLJZIBFUQG-OQPBUACISA-N	231.299	2.870	0	1	BFAF	
c1cnc2ccc3nc([C@@H]4CCOC4)[nH]c3c2c1	586912464	SMGUDQQBXXCMRB-SECBINFHSA-N	239.278	2.615	0	1	BFAF	
N[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)C1CC1	587255870	RMAUPXBCJOGTIP-SECBINFHSA-N	239.681	2.765	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](CCO)[C@H](O)CC[C@H]12	2356395558	RQNYHDXQABTVAQ-RGCMKSIDSA-N	240.387	2.972	0	1	BFAF	
CC(=O)CCCC=CC[C@@H]1OC(=O)C[C@@H]1C	2356486869	HOMZLLIQOYSYNB-JQWIXIFHSA-N	224.300	2.644	0	1	BFAF	
O=c1ccc2c(Cl)sc(Cl)c2[nH]1	1656432	GWNPBGQLUSBVMS-UHFFFAOYSA-N	220.080	2.896	0	1	BFAF	
C[C@H]1[C@@H]2CCCN2O[C@@H]1/C=C/c1ccoc1	5811430	BEQCVWNTRFMCAF-AXRILHOPSA-N	219.284	2.707	0	1	BFAF	
CN1CC=C(Oc2cccc(Cl)c2)CC1	13603022	HHCXXMFSVHDBNV-UHFFFAOYSA-N	223.703	2.938	0	1	BFAF	
Cc1cnc(N2CCCC2)nc1NCCC(C)C	82201793	CJEYUZMZUVXDJE-UHFFFAOYSA-N	248.374	2.843	0	1	BFAF	
CCCOc1ccc2c(c1)CCCc1nncn1-2	103217487	SWZZSGBULJQWAB-UHFFFAOYSA-N	243.310	2.545	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CO	257547805	SYSFCGLKPBVTDQ-KYEXWDHISA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
C[C@H]1C(=O)CC[C@H]1Cc1nc2ccccc2[nH]1	587960940	CTTYFIXXYWUCHT-ZJUUUORDSA-N	228.295	2.721	0	1	BFAF	
CC1=CC[C@]2(C)C[C@H](O)[C@](O)(C(C)C)[C@H]2CC1	14956282	WBVHJGBFCZGJRZ-XQLPTFJDSA-N	238.371	2.891	0	1	BFAF	biogenic
CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C	27084661	ZMAYVLNGIHEQKO-UVBJJODRSA-N	245.366	2.936	0	1	BFAF	
NC(=O)Cc1cccc(F)c1-c1ccccc1F	205720360	XKNQPOAENKUXOG-UHFFFAOYSA-N	247.244	2.660	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cccc(O)c2[nH]1	586914572	WMWOEYLFXKAJPO-CABZTGNLSA-N	246.310	2.941	0	1	BFAF	
Nc1cnccc1-c1cc2c3c(cccc3n1)CC2	587211618	UUJDESGTXOTXEN-UHFFFAOYSA-N	247.301	2.978	0	1	BFAF	
CCCN(C)[C@@H]1CCc2cccc(OC)c2C1	28763307	WRBAAJSAYGTSMA-CYBMUJFWSA-N	233.355	2.894	0	1	BFAF	
CC1=CC[C@H]2C(=O)c3ccccc3[C@@H](O)[C@H]2C1	85924111	VGPZTHUCGDCDIX-VNHYZAJKSA-N	228.291	2.889	0	1	BFAF	
CC(C)CC[C@]1(C)SC(=O)[C@H](C)C1=O	169719262	YGQAILHTORSALQ-KCJUWKMLSA-N	214.330	2.660	0	1	BFAF	
C=C[S@@](=O)c1cc(O)c2ccccc2c1O	169729665	DITPMQLCKMZZNK-MRXNPFEDSA-N	234.276	2.502	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2c(Cl)ncnc2[nH]1	586889672	MJZWEZRCTSOUFW-KSBSHMNSSA-N	236.706	2.910	0	1	BFAF	
Cc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1C	586916527	AFCDAAJCGQOBFT-GZMMTYOYSA-N	202.257	2.640	0	1	BFAF	
Cc1c(F)ccc2nc(C3CC4(COC4)C3)[nH]c12	586918643	ZJARAHVUINUEQU-UHFFFAOYSA-N	246.285	2.904	0	1	BFAF	
C=CC1=C(C(=CC)CO)[C@@](C)(CO)CC1(C)C	2356393134	BHNACKMCMDASDB-OAHLLOKOSA-N	236.355	2.836	0	1	BFAF	
CC1=C2CC(C)(C)C[C@@H]2[C@@](C)(O)CC[C@@H]1CO	2356721634	KKNNDPHMJQUPLA-ZLDLUXBVSA-N	238.371	2.892	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2[C@@H](C)CC[C@H]1CO	2356773936	MUCSQDHAVMOROR-MUYACECFSA-N	238.371	2.750	0	1	BFAF	
c1nc(CCCCN2CCCCCC2)c[nH]1	13685871	FJWJHKWEIJMGPV-UHFFFAOYSA-N	221.348	2.608	0	1	BFAF	
Cc1ccc2c(c1O)CC[C@@H](NC(C)C)C2	27861182	NUAMSJSVWLLANY-GFCCVEGCSA-N	219.328	2.556	0	1	BFAF	
c1ccc(Nc2nc(-c3cn[nH]c3)cs2)nc1	72116372	WIILZWDTWZFGNO-UHFFFAOYSA-N	243.295	2.672	0	1	BFAF	in-vitro
CN1N=C(c2ccccn2)C[C@@H]1c1ccccc1	169328241	UTOVJCIWUJVVMT-OAHLLOKOSA-N	237.306	2.863	0	1	BFAF	
CC1=C2C[C@@]3(C)C(=C[C@@]2(O)OC1=O)CCC[C@@H]3C	238786850	VCKBXFCIXKWWAI-TZTCFGBESA-N	248.322	2.705	0	1	BFAF	
CC1(c2cc3c4c(cccc4n2)CC3)COC1	587215973	QIEXUBKKBGMTDH-UHFFFAOYSA-N	225.291	2.621	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)OC[C@@H]2[C@@H](C)[C@@H](C)O1	2356322709	AAHWXJUQSQBIIS-AXTSPUMRSA-N	224.300	2.514	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2[C@H](O)C[C@H](C)[C@H]2[C@H]1O	2356557158	BUEONAAYGVOTFR-BNESJGNISA-N	240.387	2.683	0	1	BFAF	
C=Cc1cnc2nc(O)n(C(CC)CC)c2n1	114951054	SBJUQVUTJXSWQG-UHFFFAOYSA-N	232.287	2.536	0	1	BFAF	
Cn1cncc1-c1cc2c3c(cccc3n1)CC2	587210766	HKNIWIBFDXXVKZ-UHFFFAOYSA-N	235.290	2.734	0	1	BFAF	
CC(C)(C)[C@H](N)c1nc2cc(Cl)cnc2[nH]1	587258035	UWWMURFRRWDPCE-MRVPVSSYSA-N	238.722	2.657	0	1	BFAF	
CC1=CC2=C(CC(C)(C)[C@@H]2O)[C@H](C)CC[C@H]1O	2356682255	IHFBKYWCINTNIX-OWYVNGRQSA-N	236.355	2.811	0	1	BFAF	
Cc1c(C)n(CCCC(N)=O)c2ccccc12	148553664	PJVCUVMHZSXJKN-UHFFFAOYSA-N	230.311	2.524	0	1	BFAF	
Cc1nccc2[nH]c([C@H](C(C)C)N(C)C)nc12	587198476	FXKVDLGBAZSIAR-LBPRGKRZSA-N	232.331	2.525	0	1	BFAF	
C[C@H](OCN1C=CN(C)C1=CN=O)C(C)(C)C	1857535972	ZFCHOIXDYDKFFE-JTQLQIEISA-N	239.319	2.679	0	1	BFAF	
CC=C(C)[C@H](O)C[Si](C)(C)c1ccccc1	1857622961	ZYNXCXLVQLRELY-CQSZACIVSA-N	234.415	2.929	0	1	BFAF	
COc1ccc(C/C=C(\C)CCO)cc1	1650816	XTFIKARQTNZFOC-QDEBKDIKSA-N	206.285	2.566	0	1	BFAF	
N=C(N)Nc1ccc(Nc2ccccc2)cc1	29133785	UCJKFCYHSPBHPM-UHFFFAOYSA-N	226.283	2.736	0	1	BFAF	
C[C@H]1[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]2(C)CC[C@H]1O	38954072	XALRSJNOMCWQJW-BAYHKCFCSA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
Clc1cc(-c2c[nH]c3ncccc23)ncn1	63539740	YGUMGYOBTNGZKS-UHFFFAOYSA-N	230.658	2.673	0	1	BFAF	
Oc1ccc(/N=c2\ssnc2Cl)cc1	66123328	YHIGZVLSRHEONK-NTMALXAHSA-N	244.728	2.796	0	1	BFAF	
Cc1ccc2c(c1)SC(=S)N1CCCN=C21	138132245	UZLFDAINHMGSAJ-UHFFFAOYSA-N	248.376	2.838	0	1	BFAF	
CCOc1ccnc(-c2cc(OCC)ccn2)c1	145788667	VTWATEMKYKVGHB-UHFFFAOYSA-N	244.294	2.941	0	1	BFAF	
C[C@@]12CC[C@H](C(=O)C1)[C@@]1(C)CCCC(=O)[C@@H]21	169293634	UEPGLNMUFRMDAW-GJQVQUKXSA-N	220.312	2.751	0	1	BFAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@H]1[C@@H](O)C[C@@H](C)[C@@H]1C2	257579930	VWQSEENZNJRXDR-YXJLRHLOSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
CC(C)Oc1c(C(N)=O)ccc2ccccc12	13603780	JROJICVDVUFDHD-UHFFFAOYSA-N	229.279	2.726	0	1	BFAF	
O=C(O)[C@@H](c1ccccc1)[C@@H](O)[C@@H]1CC=CCC1	17147587	UUEPQVJAAMNTBT-RDBSUJKOSA-N	246.306	2.572	0	1	BFAF	
Cc1ccc2c(c1O)CC[C@H](NC(C)C)C2	27861189	NUAMSJSVWLLANY-LBPRGKRZSA-N	219.328	2.556	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@](C)(O)C3=CC[C@](C)(O)[C@H]3[C@@H]21	238789644	QZKYEOSYHRKCOW-SYZWTGEBSA-N	236.355	2.501	0	1	BFAF	
C[C@H](c1cc(O)c2ncccc2c1)N(C)C	1857589861	DPGSOVFSLGWHHW-SECBINFHSA-N	216.284	2.563	0	1	BFAF	
CC=C1C[C@@H]2C=Nc3ccccc3C(=O)N2C1	2356616807	GYUDGZRJHSDPLH-LLVKDONJSA-N	226.279	2.563	0	1	BFAF	
Cc1ccc(NC(=O)[C@@]2(C)CCCN2C)cc1C	61903623	YIZJNDIPDADENL-OAHLLOKOSA-N	246.354	2.726	0	3	BFAF	
c1ccc2c(-c3cnc4cccnn34)cncc2c1	61927871	HMZOVHNPXGUDRK-UHFFFAOYSA-N	246.273	2.945	0	3	BFAF	
CCc1nc2c(=O)oc3ccccc3c2n1CC	6733209	INQOIGPRLMZVLJ-UHFFFAOYSA-N	242.278	2.725	0	1	BFAF	
Fc1ccc(Sc2ncnc3[nH]cnc23)cc1	13608569	MTSKQGGVBOTGLP-UHFFFAOYSA-N	246.270	2.643	0	1	BFAF	in-vivo
Oc1ccc2cccc(NCc3c[nH]cn3)c2c1	13860607	CPPOCROKOZZUJM-UHFFFAOYSA-N	239.278	2.881	0	1	BFAF	
Cc1c2c(cc3c1CCC(C)(C)O3)OC(=O)CC2	14886676	KOGKCTOLCAZFRP-UHFFFAOYSA-N	246.306	2.950	0	1	BFAF	biogenic
c1ccc2c(c1)C1c3ccccc3C2[C@H]2N[C@@H]12	18268161	NIKRFKKUKZETAQ-STONLHKKSA-N	219.287	2.618	0	1	BFAF	
O=Nc1c(O)nc2c(Cl)cccc2c1O	29392570	NEBXKPRGJIMCCZ-UHFFFAOYSA-N	224.603	2.697	0	1	BFAF	
CCN(C1=NC(=O)C(C)(C)S1)c1ccccc1	103168885	IRRAPQVPBWMDBD-UHFFFAOYSA-N	248.351	2.921	0	1	BFAF	
C/C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719286	DGOVNMKGWUFZFR-BOXBWEIHSA-N	224.325	2.746	0	1	BFAF	
NC[C@H]1C[C@]1(F)c1ccccc1Br	1857569556	HYOWGEBRARLVCL-GMSGAONNSA-N	244.107	2.593	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2[C@H]1O	2356553264	SUNRMOIMPOGBOY-GEJOOGBSSA-N	240.387	2.971	0	1	BFAF	
C[C@H]1CCCC2=C[C@@H]3OC[C@@](C)(O)[C@@H]3C[C@]21C	14950157	HCNNHGMVCVVVJS-WCDYYPSBSA-N	236.355	2.909	0	1	BFAF	
COC(=O)C/C=C1/c2ccccc2[C@@H](OC)[C@H]1C	73101361	BAHWNFBCNAWEMW-FTOUUFDHSA-N	246.306	2.970	0	1	BFAF	
CC1=C2C(=CO[C@H](C)[C@@H]2C)C(O)=C(C(=O)O)C1	82047162	JOPGDNKFOCERPE-JGVFFNPUSA-N	236.267	2.542	0	1	BFAF	
Nc1cccc(-c2ccnc(-c3ccccn3)n2)c1	101184862	KPPKSTFUZPJIOM-UHFFFAOYSA-N	248.289	2.788	0	1	BFAF	
NC(=O)c1cccc2c1Nc1ccccc1CC2	169330435	XEBRTKPRHATJJF-UHFFFAOYSA-N	238.290	2.628	0	1	BFAF	
COC(=O)/C=C\[C@@H]1c2ccccc2[C@@H](OC)[C@@H]1C	169355612	CMKYBWAWPBVWFW-PZWCIKHRSA-N	246.306	2.837	0	1	BFAF	
CCCCNc1nc(N)nc2c(F)cccc12	205020804	DOJKSQNNBUQGHL-UHFFFAOYSA-N	234.278	2.563	0	1	BFAF	
CC[C@H](C)[C@H](C)OCN1C=CN(C)/C1=C\N=O	377601363	RYXHWAQIUHASNX-BEICOJSVSA-N	239.319	2.679	0	1	BFAF	
O=C(/C=C/c1ccccc1)N1CCCCCC1=O	473132443	SNMHSTDLHWSWRN-ZHACJKMWSA-N	243.306	2.629	0	1	BFAF	
Oc1cccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12	587092046	AIASKLPAJICIPF-WDSKDSINSA-N	242.200	2.934	0	1	BFAF	
Cc1conc1[C@H]1NCCc2ccc(F)c(C)c21	962087169	CULSGASJJKHIKP-AWEZNQCLSA-N	246.285	2.666	0	1	BFAF	
Cc1nc(N2CCCCC2)c(C)c(C)c1O	1772611455	YIJIDWPRCJJVBD-UHFFFAOYSA-N	220.316	2.703	0	1	BFAF	
CC1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@H](C)[C@]2(O)CC1	2356326736	YSMIVLKCCCKQBB-GZBLMMOJSA-N	238.371	2.748	0	1	BFAF	
CCCN(CCC)[C@@H]1COc2cccc(O)c2C1	3776836	QPVJRLOTNHJYTL-LBPRGKRZSA-N	249.354	2.818	0	1	BFAF	
C=Cc1ccc([C@H]2N[C@@H](C(=O)O)CC[C@@H]2C)cc1	7998538	XKXUUZKFFCNXMC-GDLCADMTSA-N	245.322	2.843	0	1	BFAF	
COc1c2c(cc3cccc(O)c13)C(=O)O[C@H]2C	15150331	IWUVUCGZHFPCHH-ZETCQYMHSA-N	244.246	2.785	0	1	BFAF	biogenic
O=C1CCCC[C@H]1n1cc(-c2ccsc2)nn1	66258413	ANYIPKQKJBXIHJ-LLVKDONJSA-N	247.323	2.691	0	1	BFAF	
C[C@@H](SC[C@@H]1CC[C@@H]2C[C@@H]1C2(C)C)C(N)=O	102953587	NKUFVXRKKRVOQA-YTWAJWBKSA-N	241.400	2.666	0	1	BFAF	
O=C(Nc1ccccc1)O[C@H]1C[C@H]2CCC[C@H]1N2	253632754	BLXVLQQWVJDBTF-UPJWGTAASA-N	246.310	2.518	0	1	BFAF	
COc1nccc2nc(C3=CCCC3)[nH]c12	586885536	VWDBWKGCSCGCOJ-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
CC(=O)NC(C)(C)c1c(C)[nH]c2cc(F)ccc12	587634863	GBDXZVWGMFJQOP-UHFFFAOYSA-N	248.301	2.987	0	1	BFAF	
CCCCc1cccc2[nH]c(C(=O)O)cc(=O)c12	13821165	OTUFFOIAZYYWNO-UHFFFAOYSA-N	245.278	2.569	0	1	BFAF	
Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2NC3)cn1	28455838	JZQKWOHBHFFOKX-MIMYLULJSA-N	222.719	2.591	0	1	BFAF	
C[C@@H]1C(=O)Oc2ccc(C(=O)c3ccco3)cc21	29395503	NBKJBEMAODWPQP-QMMMGPOBSA-N	242.230	2.533	0	1	BFAF	
CC1=C2CC(=O)[C@@H](C)CC/C=C(\C)C[C@H]2NC1=O	70454896	MZVOQYNJEAKDJD-UARNYKMGSA-N	247.338	2.527	0	1	BFAF	biogenic,in-vitro
O=C1CCCc2c1ccn2C(=O)c1ccccc1	71778458	SYZSFOLRLMKJSG-UHFFFAOYSA-N	239.274	2.696	0	1	BFAF	
C/C=C(C)/C=C/c1cc(=O)c(C)c(OC)o1	145739285	UHDRCPRMNIQCES-CQCRHSALSA-N	220.268	2.936	0	1	BFAF	
Cc1nccc2[nH]c([C@@H]3C[C@@H](C)CCO3)nc12	586917311	POPXJCKYCREULB-KWQFWETISA-N	231.299	2.754	0	1	BFAF	
c1nc2ccc3n[nH]cc3c2c2c1CCCC2	1857546674	SVZLXXSOLTUDLS-UHFFFAOYSA-N	223.279	2.990	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2C[C@]2(C)CC[C@]12O	2356696812	SZKPCSUWTGDNTP-RZFFKMDDSA-N	236.355	2.646	0	1	BFAF	
Cc1cc(O)c2c3c1C(=O)OC[C@]3(C)CC2(C)C	2356712621	IUVFAJHMVAFLJE-HNNXBMFYSA-N	246.306	2.810	0	1	BFAF	
C[C@H]1C(=O)CCC(C)(C)[C@H]1C=CC1=CC(=O)OC1	2356713790	RYWMKAMLWXSVJC-PWSUYJOCSA-N	248.322	2.667	0	1	BFAF	
CC1=C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H](O)C[C@@H]1O	13311135	GYYSPLLFNGCFSK-JLNYLFASSA-N	238.371	2.891	0	1	BFAF	biogenic
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(CO)=C[C@@H]12	14918582	IOQSQJRNINOLDG-BYNSBNAKSA-N	238.371	2.748	0	1	BFAF	
CC(C)C[C@@H](C)OC(=O)Cc1ccncc1	26835599	LCGYDQQWQVOYFJ-LLVKDONJSA-N	221.300	2.602	0	1	BFAF	
Cc1cccc2[nH]c3c(c12)C[C@H](N(C)C)CC3	39214050	TZPBUZHOQHUUIU-LLVKDONJSA-N	228.339	2.895	0	1	BFAF	
Cc1cccc2c1c1c(n2C)CC[C@H](N(C)C)C1	39214089	WGORUJLQAFXUII-LBPRGKRZSA-N	242.366	2.906	0	1	BFAF	
Oc1ccc(O)c(/C=C/c2ccccc2O)c1	72114516	MHWWDKYDRGAOCG-AATRIKPKSA-N	228.247	2.974	0	1	BFAF	
Fc1ccc(-c2cnc3[nH]ccc3n2)cc1	473154909	MNSYZTKWNBUEHN-UHFFFAOYSA-N	213.215	2.764	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1	586889080	KWTPUKKJPIJBGW-LKFCYVNXSA-N	243.310	2.565	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2[C@@H](C)CC[C@@H]1CO	2356773937	MUCSQDHAVMOROR-XTWPYSKKSA-N	238.371	2.750	0	1	BFAF	
CC1=NO[C@@]2(C1)N(C)c1ccccc1C2(C)C	4058046	GHTQMJHSIVKCMG-CQSZACIVSA-N	230.311	2.907	0	3	BFAF	
Fc1cccc2c1C=C(C[C@H]1CN=CN1)CC2	13862057	WPIIASRYSZGPAA-LBPRGKRZSA-N	230.286	2.546	0	1	BFAF	
COc1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1	95579001	NHFZXSDWJUYGLY-STQMWFEESA-N	231.295	2.988	0	1	BFAF	
C[C@]12N[C@@H](Cc3ccccc31)c1ccc(O)cc12	100649188	HXZMISWMKKQWQJ-HOTGVXAUSA-N	237.302	2.856	0	1	BFAF	
CNC12C[C@@H]3CC(C[C@@H](C1)c1ccccc13)O2	101924115	WNODDIJNLNFNKE-ZLXYNXDPSA-N	229.323	2.756	0	1	BFAF	
C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@]2(C)OC1(C)C	104098097	ZADVMZUKWWMSLQ-XBDPKTDKSA-N	238.371	2.987	0	1	BFAF	in-man
CCCC=CC=C[C@@H](CCC(=O)O)CC(=O)O	2356358102	NNKOXHKCIDFKIK-NSHDSACASA-N	240.299	2.855	0	1	BFAF	
O=C1CCc2cc(-c3ccncc3)ccc2N1	26490311	MOYDTIQNUAKDII-UHFFFAOYSA-N	224.263	2.633	0	1	BFAF	
Nc1[nH]nc2c(-c3ccccc3)cccc12	63539242	HBTBJELEOZMBDS-UHFFFAOYSA-N	209.252	2.812	0	1	BFAF	
Cc1c(O)c(C)c2c(c1O)CO[C@H](C)[C@H]2C	238761048	WDGGYGTUDYNFNV-HZGVNTEJSA-N	222.284	2.737	0	1	BFAF	
Cc1cccc2nc(-c3c(N)cccc3O)[nH]c12	587251011	WGEMYVIXGBQUKT-UHFFFAOYSA-N	239.278	2.826	0	1	BFAF	
CN1[C]2c3ccccc3CN2c2ccccc2C1=O	2356816064	ABACQJQTKMNJFC-UHFFFAOYSA-N	249.293	2.630	0	1	BFAF	
CC1=C2c3cc(C)ccc3[C@H](C)C[C@@]2(O)OC1=O	14445089	PLJGICLYVCMFRO-RFAUZJTJSA-N	244.290	2.521	0	1	BFAF	biogenic
O=Cc1cc2c(cc1-c1ccc(O)cc1)OCO2	14776443	CJLFWRBPNXIPHA-UHFFFAOYSA-N	242.230	2.600	0	1	BFAF	biogenic,in-vitro
O=C1[C@H]2CC=CC=C[C@H]2N1Cc1ccccc1	28131287	UUCXLVWVLOWJOY-UONOGXRCSA-N	225.291	2.530	0	1	BFAF	
COc1ccccc1/C=C/[C@]1(C)C=CC(=O)O1	96921250	OVANPMAUMGGQLM-RCQQVGEISA-N	230.263	2.580	0	1	BFAF	
COC(=O)/C=C/[C@@H]1c2ccccc2[C@@H](OC)[C@H]1C	299812857	CMKYBWAWPBVWFW-VCEIZSSSSA-N	246.306	2.837	0	1	BFAF	
Cc1cc(F)c2[nH]c(C3=COCC3)nc2c1	586911871	AILFCFRRLDSSQW-UHFFFAOYSA-N	218.231	2.772	0	1	BFAF	
C[C@@H](F)[C@H](N)c1nc2cc(Cl)cc(F)c2[nH]1	587126728	XUKSSKXSJFVMNP-VHWMUFPASA-N	245.660	2.713	0	1	BFAF	
Cc1ccnc2c1CCN[C@H]2[C@@H]1CCC(C)(C)O1	963072881	OVFQPASDTSJSFZ-JSGCOSHPSA-N	246.354	2.534	0	1	BFAF	
CC(C)[C@H]1CC[C@@H](C)C2=C1[C@H](O)[C@@](C)(O)CC2	2356398684	ZFANDKTXWRNRMY-FIXIBIHLSA-N	238.371	2.891	0	1	BFAF	
O=C1c2[nH]c3ccccc3c2CCn2cccc21	2356474549	WRZHDHMHWJPGGV-UHFFFAOYSA-N	236.274	2.757	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@](C)(O)[C@H]2CC1	2356507977	NABFWTUELQMMDP-RMEBNNNOSA-N	238.371	2.747	0	1	BFAF	
C[C@H](O)CC[C@H](C)C=C1C=C[C@@H]2CCCN2C1	2356544743	AYXNBUOZKHOIPL-YDHLFZDLSA-N	235.371	2.744	0	1	BFAF	
CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@H](N)C2	2356743041	VZERVKJEZBMQPH-SCRDCRAPSA-N	223.360	2.852	0	1	BFAF	
Cc1ccccc1-c1nccc(-n2ccnc2)n1	4239471	BYNAUCQSGQARCB-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
O=c1ccc2ccc(-c3cccnc3)cc2[nH]1	5117236	PEUXMBIVSFTKEH-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
C[C@H]1CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O	14487672	QIHMBTNCJUFMCE-UMNHJUIQSA-N	212.333	2.789	0	1	BFAF	endogenous,in-man
CC1(C)[C@@H]2CC[C@]3(C)[C@@H](O)CC[C@](C)(O)[C@H]3[C@@H]21	34507100	KZVQWVBIYAIHQM-NJTCAMEISA-N	238.371	2.581	0	1	BFAF	
COc1cc2cc3ccoc3cc2oc1=O	39416836	SQBBOVROCFXYBN-UHFFFAOYSA-N	216.192	2.548	0	1	BFAF	
COC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587526251	SJDIYFLSJMQUGR-NSHDSACASA-N	246.306	2.546	0	1	BFAF	
Cc1[nH]nc2nc(O)cc([C@@H]3C[C@H]4CC[C@@H]3C4)c12	1911583090	QDBDQCPCCISOSM-IVZWLZJFSA-N	243.310	2.876	0	1	BFAF	
Cc1coc2c1C(=O)[C@]1(C)[C@H](C)CC[C@H](O)[C@@H]1C2	2356469131	AWXFUOOEZGQLHT-DZHLUBAWSA-N	248.322	2.740	0	1	BFAF	
CCO[P@@]1(=O)CC(C)=C(Cl)[C@@H](OC)C1	1637789	WGVMXIBAKCESJT-RTHLEPHNSA-N	238.651	2.842	0	1	BFAF	
CCCCC1=C2NC(=N)N[C@H]3CC[C@@H](C[C@@H]1C)[C@@H]23	3793038	MGZKFJKGMKJURC-XRRVDJEJSA-N	247.386	2.993	0	1	BFAF	
CC1CCN(C[C@@H]2Cc3ccccc3C2=O)CC1	13449577	FBFCEJZVMXVAGL-AWEZNQCLSA-N	243.350	2.774	0	1	BFAF	
CCCN1CCC[C@@H](c2cccc(CO)c2)C1	13738262	BOTMSPLRFWVABA-OAHLLOKOSA-N	233.355	2.768	0	1	BFAF	
C[C@@H]1CN2[C@H](c3ccoc3)CC[C@@H](C)[C@@H]2C[C@@H]1O	14962703	MDQZTPNTPVDOSH-MFHWUAJNSA-N	249.354	2.822	0	1	BFAF	
C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc21	29124786	ASFUPMRJBHSLTR-LURJTMIESA-N	244.125	2.690	0	1	BFAF	
CC(C)N(CCOc1cccc(O)c1)C(C)C	103293383	HBUGDZYIUFMRNX-UHFFFAOYSA-N	237.343	2.890	0	1	BFAF	
Fc1cnc2[nH]c(-c3occ4c3CCC4)nc2c1	586905673	YLKWAKDLMJSPLH-UHFFFAOYSA-N	243.241	2.846	0	1	BFAF	
Cc1cc([C@@H]2NCCc3cc(C)c(F)cc32)on1	962089380	GQMPUJGVOILLLB-CQSZACIVSA-N	246.285	2.666	0	1	BFAF	
C[C@@H]1C[C@@]23[C@@H]4CCCN2CCC[C@H]3[C@@H](CC4)[C@H]1O	2356649133	ANZDCOUFLQZNEJ-ODICJLLRSA-N	249.398	2.658	0	1	BFAF	
Cc1cc(O)c(C(C)C)c2c1C(=O)[C@@H](O)[C@@H](C)C2	13482811	ZQPNXVQVWRIUIH-XPTSAGLGSA-N	248.322	2.560	0	1	BFAF	biogenic
C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@@H]1[C@@H]1[C@@H](CC3)C1(C)C	14443077	KSULFOQPZXMUBZ-HQHREHCSSA-N	232.323	2.930	0	1	BFAF	biogenic
C[C@H]1C[C@@H]2Cc3ncccc3[C@@]3(C1)NCCC[C@@H]23	14583531	JJPMUZRSJKMFRK-ZWUHOBOKSA-N	242.366	2.879	0	1	BFAF	
CC1=C(CC[C@H](C)O)C(C)(C)[C@H](O)CC1	14587803	PCHNRWMSYBNCRR-CMPLNLGQSA-N	212.333	2.645	0	1	BFAF	biogenic
COc1cc(=O)oc(C)c1-c1ccccc1	26579566	FKLHXIRZUWSJQG-UHFFFAOYSA-N	216.236	2.624	0	1	BFAF	
CCCN1C(=O)S/C(=C\c2ccncc2)C1=O	210709870	SGIZZQKMDAUFPA-NTMALXAHSA-N	248.307	2.528	0	1	BFAF	
C[C@H]1CCC[C@]2(CO)CC[C@@H](C(C)(C)O)C[C@@H]12	238767616	MEFMJWLQDLMIAS-SFDCQRBFSA-N	240.387	2.972	0	1	BFAF	
Clc1ccc([C@@H]2C[C@H]3CC[C@H]2CN3)cn1	299806043	VFQOGPACCHRZIN-JMJZKYOTSA-N	222.719	2.591	0	1	BFAF	
Cc1cc2nc([C@@H]3CCOC3)[nH]c2cc1F	586913053	ZPORLFCJGAHXTB-MRVPVSSYSA-N	220.247	2.514	0	1	BFAF	
CO[C@@H]1C=C2Cc3occ(C)c3C(=O)[C@@H]2[C@@H](C)C1	2356406569	ZTQAWNAQPWOWCS-LJUAHTATSA-N	246.306	2.924	0	1	BFAF	
C[C@]12CCC(=O)N1c1ccc(Cl)cc1N2	5810171	UGHLZJRSJACIQQ-LLVKDONJSA-N	222.675	2.609	0	1	BFAF	
CC1=C2[C@@H](O)C(C)(C)C[C@@H]2[C@H](C)CC[C@H]1CO	14769126	XFJROLBQWOPDSD-RFVSLCSESA-N	238.371	2.748	0	1	BFAF	biogenic
C[C@H]1C(=O)C[C@H](c2ccco2)N[C@H]1c1ccco1	19537245	ODBXCYFSKSAVDY-IMSIIYSGSA-N	245.278	2.854	0	1	BFAF	
Cc1ccc(-c2cc3n(n2)CCCC3)nc1	96911185	LETAZDYUWKKYSS-UHFFFAOYSA-N	213.284	2.590	0	1	BFAF	
Fc1ccc(-c2cc3[nH]ccnc-3n2)cc1	101251429	MXSNFBHOVCYTHF-UHFFFAOYSA-N	213.215	2.716	0	1	BFAF	
O=NCc1cc2ncc(Br)cc2o1	957581957	YMZIUQAOEFBASY-UHFFFAOYSA-N	241.044	2.857	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H]3[C@@H]21	5765859	DWNPMJOWAWGIMM-CLMGUBIUSA-N	238.371	2.581	0	1	BFAF	biogenic,in-vitro
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccccc1)O2	13764435	VEWNLDNSIXATRX-FQUUOJAGSA-N	246.306	2.511	0	1	BFAF	
CCCCC/C=C(\NC(=O)CC(C)C)C(=O)O	26027245	NUKVYDGJRBMPMW-FLIBITNWSA-N	241.331	2.698	0	1	BFAF	
CCOc1ccc2c(c1)c(N=O)c(O)n2C	101454892	YVVNIXSVTOQBTQ-UHFFFAOYSA-N	220.228	2.681	0	1	BFAF	
CCc1ccccc1-n1cnc2ccc(O)nc21	118269407	JKEUBFOQXICTMC-UHFFFAOYSA-N	239.278	2.689	0	1	BFAF	
Clc1ccc2oc(-c3ccn[nH]3)nc2c1	138747709	CTLFRZYSQHHTPY-UHFFFAOYSA-N	219.631	2.871	0	1	BFAF	
Cc1cc2c(cc1O)[C@H](C)[C@H](C=CC(C)(C)O)O2	2356781281	IFUZUQKJCKPEIC-GWCFXTLKSA-N	248.322	2.892	0	1	BFAF	
Cc1coc2cc(CO)c3c(c12)C(=O)[C@@H](C)CC3	15161614	SZOPCKPNYNJXGG-QMMMGPOBSA-N	244.290	2.999	0	1	BFAF	biogenic
C[C@H]1C[C@@H]1COc1cccc2ccc(N)nc12	28392261	HIZPONGXBADBFM-GXSJLCMTSA-N	228.295	2.852	0	1	BFAF	
CCCCO[C@@H](CC)O[C@@H](C)CO[C@H](O)CC	95884264	RNFAKTRFMQEEQE-RWMBFGLXSA-N	248.363	2.689	0	1	BFAF	
Cc1ccc([C@H]2C[C@H]3CC[C@@H]4[C@@H]2C(=O)CN34)cc1	100846477	NWRMTPHQJUHLJH-IXYNUQLISA-N	241.334	2.514	0	1	BFAF	
CCc1cnc2cc3c(cc2c1)[C@H]1CNC[C@H]3C1	101032332	RAGYLUOTYIODHC-CHWSQXEVSA-N	238.334	2.971	0	1	BFAF	
NC(=O)[C@H](F)c1ccccc1-c1ccccc1	118798862	ZNKDVIYRVVBCHJ-CYBMUJFWSA-N	229.254	2.850	0	1	BFAF	
COc1cc(O)c(C)c(CC=C(C)C)c1O	223076996	MFZUIDJBSNXVGC-UHFFFAOYSA-N	222.284	2.924	0	1	BFAF	in-vitro
C[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4	587215107	HZFXAXULCMKNRP-VIFPVBQESA-N	237.302	2.952	0	1	BFAF	
CCOn1c(C2CCCCC2)cc(C)cc1=O	1857587982	NJBUDVKKLCITDW-UHFFFAOYSA-N	235.327	2.653	0	1	BFAF	
O=C(O)c1ccc2c(c1)C=COC(=CCl)O2	2356720738	IFAHBGLLMAAYNN-UHFFFAOYSA-N	238.626	2.802	0	1	BFAF	
CC(C)c1c(O)nc2c(c1O)C(=O)CC(C)(C)C2	6564356	PRELSYHXEDYCSZ-UHFFFAOYSA-N	249.310	2.771	0	1	BFAF	
C[C@@H]1C(=O)C=C2[C@@H]1CC(C)(C)C(=O)[C@@H]1C[C@]21C	13308844	JMDSVFSLIQKRFD-GCTGHDABSA-N	232.323	2.773	0	1	BFAF	biogenic
Clc1ccc2c(N3CC3)ccnc2c1	29134997	YQAFYSGUOLZAJC-UHFFFAOYSA-N	204.660	2.708	0	1	BFAF	
N[C@@H]1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	100067079	INLFGRVNSNAIRT-UGKPPGOTSA-N	222.719	2.576	0	1	BFAF	
O[C@@H]1CCC2=C(C[C@@H](CN3CCCCC3)C2)C1	169328684	YRDSGPROQBZPFV-SWLSCSKDSA-N	235.371	2.724	0	1	BFAF	
C[C@@H]1CC[C@@]2(C)[C@@]3(C)CC[C@@H](C[C@@H]13)[C@@]2(O)CO	2356625975	GXIANPKKUSLVEE-XZBVAUNFSA-N	238.371	2.582	0	1	BFAF	
CN(C)c1ccc(-c2ccc(O)cc2O)cc1	5126842	BCKRNINKHITPPS-UHFFFAOYSA-N	229.279	2.831	0	1	BFAF	
Oc1ccc(-c2noc3ccc(O)cc23)c(O)c1	13583543	WMGGLHGABYLPQX-UHFFFAOYSA-N	243.218	2.612	0	1	BFAF	
c1ccc2c(c1)nc(C1CC1)c1cncn12	26570522	BMMAPBWDPKJXJM-UHFFFAOYSA-N	209.252	2.760	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1	586892786	WMXTXMZLOXQDRT-UPONEAKYSA-N	236.706	2.862	0	1	BFAF	
CC[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1	587955873	LOVUYFFERNIDJU-YFKPBYRVSA-N	244.220	2.837	0	1	BFAF	
CC1=CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]12	2356414118	GLJUGKFIAGMAKM-DFBGVHRSSA-N	248.322	2.705	0	1	BFAF	
Cc1ccc2[nH]c3c(c2c1)CCCC[C@@H]3C(N)=O	5418039	BEGPLEUQYHEHLN-NSHDSACASA-N	242.322	2.772	0	1	BFAF	
C1=C(c2cccnc2)N2CCN=C2c2ccccc21	13740234	AOUCELMJZHXMIS-UHFFFAOYSA-N	247.301	2.656	0	1	BFAF	
CC#Cc1ccc(C=C[C@@H]2OCCC[C@@H]2O)s1	14517618	ZFNYLDYKZYWJJE-KBPBESRZSA-N	248.347	2.673	0	1	BFAF	biogenic
CC(C)(C)c1cc(=O)c2cc3c(cc2o1)OCO3	28875417	NCDQRBCIFMHDJR-UHFFFAOYSA-N	246.262	2.819	0	1	BFAF	
COc1ccc2c(c1)Sc1nccnc1N2	34142085	IRFHCOMVZIXDLA-UHFFFAOYSA-N	231.280	2.693	0	1	BFAF	
COc1ccc2c(c1)CC[C@@H]1[C@@H](c3cnc[nH]3)[C@H]21	36088227	SVYVZZUTGJVKNX-CFVMTHIKSA-N	240.306	2.862	0	1	BFAF	
COc1cc2c(c(OC)c1)C(C)=NC(C)(C)C2	40829531	HYBITCVTQFPKTI-UHFFFAOYSA-N	233.311	2.848	0	1	BFAF	
Cc1oc2nc3oc(=O)ccc3cc2c1C	49015711	ONCFOYWAEJKVCO-UHFFFAOYSA-N	215.208	2.551	0	1	BFAF	
COC(=O)[C@H]1CCc2c1ssc2=S	53242986	CMDYQGNCNCPHGR-BYPYZUCNSA-N	232.351	2.742	0	1	BFAF	
O=CN(O)CCCc1ccc(Cl)c(Cl)c1	66101718	PIUOLMKUZNQGCD-UHFFFAOYSA-N	248.109	2.774	0	1	BFAF	
O=C(O)c1cc2ccc(-c3ccoc3)cc2n1O	73163311	JATOEDYHZVJWGM-UHFFFAOYSA-N	243.218	2.837	0	1	BFAF	
C[C@H]1[C@@H]2C[C@@H](C(C)(C)O)CC[C@]2(C)CC[C@H]1O	100783422	XALRSJNOMCWQJW-XOBFJNJYSA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
CCCCN[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@@]12C	195371756	LRNABWCLYGWJSN-LFGPYPTHSA-N	231.383	2.913	0	1	BFAF	
CC1(C)C=C[C@H]2C(=O)Nc3ccccc3[C@@H]2O1	238761929	IMDNUXFWNXWHQT-PWSUYJOCSA-N	229.279	2.661	0	1	BFAF	
CC(C)=CCC[C@@H](C)[C@]12CC[C@@](O)(CO)[C@H]1C2	238788029	WEZSMISXBFOGRL-LXTVHRRPSA-N	238.371	2.892	0	1	BFAF	
COc1ccc(CCc2cc(C)no2)cc1OC	299871448	YONQRCKSENXIPL-UHFFFAOYSA-N	247.294	2.785	0	1	BFAF	
CCSc1cccc2c1CC[C@H]1CNCCN21	1772633902	BMCLYYRLEQNDLP-NSHDSACASA-N	248.395	2.523	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CCC[C@@H]2N3)cn1	4634577	GDSORCYTZJIZHU-MXWKQRLJSA-N	222.719	2.733	0	1	BFAF	in-vivo
COc1ccc2c3c([nH]c2c1)CC[C@H](N(C)C)C3	39214066	YAJGLOLEMGGYRL-JTQLQIEISA-N	244.338	2.595	0	1	BFAF	
CN1C(=S)[C@H](CCCC(=O)O)c2ccccc21	100368902	QHJCJUXULVYEKC-SNVBAGLBSA-N	249.335	2.802	0	1	BFAF	
O=C1COc2cc(F)ccc2N1C1CCCCC1	103212864	CSCUARISOSTUAU-UHFFFAOYSA-N	249.285	2.884	0	1	BFAF	
Clc1cc2c(cn1)[C@@H]1[C@H]3CC[C@@H](N3)[C@@H]1CC2	140779458	HYHQVGSPVWWXJX-BQKRADJCSA-N	234.730	2.515	0	1	BFAF	
c1cc2c3c(cc(-c4cnns4)nc3c1)CC2	587358018	AJVOTZASZMPPOI-UHFFFAOYSA-N	239.303	2.852	0	1	BFAF	
CCCC/C=C\c1ccc2c(O)nc(O)nc2n1	587560783	FVEQTIOXDYZUQH-WAYWQWQTSA-N	245.282	2.639	0	1	BFAF	
CC[C@@H](C)c1nc2cc3c(cc2[nH]1)OCO3	587955432	JBXSVYUZMNIHII-SSDOTTSWSA-N	218.256	2.805	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H]2CCC(=O)[C@@H](C(C)C)[C@H]21	2356651109	CAZUDQZWTAQDDH-WVWOOGAGSA-N	222.328	2.853	0	1	BFAF	
Cc1cc2c3c(coc3c1)[C@H](O)[C@H](O)[C@H]2C(C)C	2356698745	MINGOCHWARMETQ-AEGPPILISA-N	246.306	2.889	0	1	BFAF	
Cc1cc(O)cc(Oc2cc(O)cc(CO)c2)c1	2356716869	ANNILDVZBUGZDJ-UHFFFAOYSA-N	246.262	2.691	0	1	BFAF	
Oc1ccc[n+]2c(O)c(-c3ccccc3)sc12	6116591	LATUNNOOSZTYQB-UHFFFAOYSA-O	244.295	2.565	0	1	BFAF	
Cc1sc(C)c2c1CCCc1nnc(C)n1-2	13537830	PCBQMQXSDSZDCB-UHFFFAOYSA-N	233.340	2.743	0	1	BFAF	
Cc1cccc2oc3occc3c(=O)c12	14591775	KBNUSDIWDFUIEP-UHFFFAOYSA-N	200.193	2.848	0	1	BFAF	biogenic
CCc1ccc(CCN2CCC[C@@H]2C)nc1	29131631	ZSJJIKXUSRBLQB-LBPRGKRZSA-N	218.344	2.671	0	1	BFAF	
Fc1ccc(Nc2n[nH]c3cccnc23)cc1F	166862305	DRSIZRFDCMPTKL-UHFFFAOYSA-N	246.220	2.980	0	1	BFAF	
N=c1[nH]c2ccc(-c3ccccn3)cc2s1	474604669	DLMCPAQNJAIGGJ-UHFFFAOYSA-N	227.292	2.771	0	1	BFAF	
Fc1cc(Cl)cc2nc([C@H]3CCOC3)[nH]c12	586911621	JMXIGYPVIQUDBQ-LURJTMIESA-N	240.665	2.859	0	1	BFAF	
CC(C)=CCc1c(O)cc(O)c(C(=O)O)c1C	1911574549	CIIWXRJVUHOVJQ-UHFFFAOYSA-N	236.267	2.613	0	1	BFAF	
COc1ccc(-c2c(OC)cc(C)oc2=O)cc1	15778856	KUMKNHCGOIQBHH-UHFFFAOYSA-N	246.262	2.632	0	1	BFAF	
C[C@]1(/C=C/c2ccc(F)cc2)C=CC(=O)O1	96921229	NLNFANUFIHGANN-CFNZNRNTSA-N	218.227	2.711	0	1	BFAF	
Clc1ccc2c(n1)CN1[C@H]3CC[C@H]1[C@@H]2C3	101156099	IMTFYHGMSYRWOU-NMLBEHRDSA-N	220.703	2.569	0	1	BFAF	
NC(=O)c1ccc2c(c1)CCc1ccccc1N2	169330440	DNKDKTHJYCMBRY-UHFFFAOYSA-N	238.290	2.628	0	1	BFAF	
CC[C@H](O)c1nc2ccc3c(c2[nH]1)CCCC3	586901700	YGQLFYQGZMPYPS-LBPRGKRZSA-N	230.311	2.885	0	1	BFAF	
Nc1ccnc2[nH]c(/C=C\c3ccsc3)nc12	587026874	ZWOLVSLQRAVWEE-UPHRSURJSA-N	242.307	2.772	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)C)O2	587405515	LSTWXPKZHHAKBW-GFCCVEGCSA-N	219.284	2.567	0	1	BFAF	
COC(=O)/C=C/[C@@H]1c2ccccc2[C@H](OC)[C@H]1C	7992507	CMKYBWAWPBVWFW-SWXIQPLWSA-N	246.306	2.837	0	1	BFAF	
C[C@@H](O)c1ccc2oc(C(C)(C)O)cc2c1	13306530	AITBGMUAMIDJRC-MRVPVSSYSA-N	220.268	2.714	0	1	BFAF	biogenic
CCCCCCNc1[nH]ccc2ncnc1-2	100787880	UTDNTPSJMUNMKA-UHFFFAOYSA-N	218.304	2.902	0	1	BFAF	
C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(O)c1)C2	101256390	JKOWKYCFCWDUJV-CORIIIEPSA-N	231.339	2.907	0	1	BFAF	
CCCC1(c2nc3cnncc3[nH]2)CCC1	586877819	QYCYRKSTESNSIK-UHFFFAOYSA-N	216.288	2.575	0	1	BFAF	
Cc1cc(F)c2[nH]c([C@H]3CCOC3)nc2c1	586911355	HMCODAQJDQMORY-QMMMGPOBSA-N	220.247	2.514	0	1	BFAF	
Cc1ccc2nc(C3=COCC3)[nH]c2c1C	586913591	QXEBHRARDOZDBE-UHFFFAOYSA-N	214.268	2.941	0	1	BFAF	
N[C@H]1CCCc2c1[nH]c1cc(F)c(F)cc21	1857571118	MVJHTYJTQAZZJL-JTQLQIEISA-N	222.238	2.782	0	1	BFAF	
CC(=O)CC[C@H]1[C@H](C)CC(=O)CC1(C)C	2356485653	OMYHSWJSASVYAR-SKDRFNHKSA-N	210.317	2.997	0	1	BFAF	
C1CCN=C(/N=c2\[nH]c3c(s2)CCCC3)CC1	6613404	GHUOKLVMULNZKL-UHFFFAOYSA-N	249.383	2.828	0	3	BFAF	
CC(C)[C@H](N)c1csc(Nc2ccccn2)n1	61908017	ZVTZBOJVXHDEJS-NSHDSACASA-N	248.355	2.938	0	3	BFAF	
N#CN1CCC=C(c2cc3ccccc3[nH]2)C1	1630756	RNRBMXLCGSJRAR-UHFFFAOYSA-N	223.279	2.738	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1C[C@H](O)CC[C@@H]21	26277039	JBJOLGADJZFNKD-BFHYXJOUSA-N	246.374	2.575	0	1	BFAF	
c1ccn2c3c(nc2c1)CCN[C@@H]3CCC1CC1	962984304	MTDRJXGGEIBFIS-GFCCVEGCSA-N	241.338	2.711	0	1	BFAF	
NC(=S)c1cccc(-c2ccc(O)cc2)c1F	1857608043	FZDQDRGDBXBZOC-UHFFFAOYSA-N	247.294	2.833	0	1	BFAF	
CC(=CCC[C@]1(C)[C@@H]2C=C(CO)CC[C@H]21)CO	2356777687	BOEUJLMNWCJKHN-KFWWJZLASA-N	236.355	2.670	0	1	BFAF	
S=C1N=CC=CC1=C1Nc2ccccc2N1	139139269	FTCDZCSSJQMUEB-UHFFFAOYSA-N	227.292	2.704	0	3	BFAF	
CCOC(=O)c1ccc(-c2cccs2)n1C	1857107	CAXHDNDTNFKHBA-UHFFFAOYSA-N	235.308	2.930	0	1	BFAF	
C=C[C@@H]1O[C@H](C)[C@@H]2C[C@H](C(C)C)C(=O)[C@@H]2C1=C	14439967	OINXAOWZYHLIMO-PEBLQZBPSA-N	234.339	2.993	0	1	BFAF	biogenic
Cc1nss/c1=N\c1ccccc1	40466713	ZDJKGAFGIIBWLB-KTKRTIGZSA-N	208.311	2.745	0	1	BFAF	
CCc1cc(O)c(Oc2cccnc2N)cc1F	95579936	MRIHADBFHMLZBI-UHFFFAOYSA-N	248.257	2.863	0	1	BFAF	
C[C@@H]1[C@@H]2C[C@@H](C(C)(C)O)CC[C@]2(C)CC[C@H]1O	100783424	XALRSJNOMCWQJW-NLRWUALESA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
NC(=O)c1cc(C2=CCCC2)c2ccccc2n1	221621921	ONFZHRZTMRGDRC-UHFFFAOYSA-N	238.290	2.901	0	1	BFAF	
CC[C@@H](O)Cn1nc2cc1Oc1ccc(F)cc1-2	587875059	MNLDUICUYGIETP-SECBINFHSA-N	248.257	2.566	0	1	BFAF	
C[C@H](C(=O)O)c1cccc(C(=O)c2ccco2)c1	28711081	IQUJSERCOKJJHL-VIFPVBQESA-N	244.246	2.699	0	1	BFAF	
C[n+]1ccc(-c2ccc(Cl)cc2)cc1	29135498	SLZRQJWFZIWLCQ-UHFFFAOYSA-N	204.680	2.832	0	1	BFAF	
C[C@@]12N[C@H]([C@H]3CCCC[C@@H]31)[C@H](O)c1ccccc12	100659807	QUUVVNAADCNVJY-QAQUCLOOSA-N	243.350	2.727	0	1	BFAF	
CC(=O)CC[C@H]1[C@@H]2[C@H](C(C)C)C(=O)CC[C@@H]21	238743501	CAZUDQZWTAQDDH-OXHZDVMGSA-N	222.328	2.853	0	1	BFAF	
CC1=C2[C@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]2(C)C(=O)CC1	238770469	RSDQBPGKMDFRHH-FMRSBHEDSA-N	248.322	2.644	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(N)c(N)cc2[nH]1	586893905	ZQZDLXKNWVFDRU-CPFSXVBKSA-N	230.315	2.631	0	1	BFAF	
CCCc1cc(O)cc2oc(C)cc(=O)c12	2356796073	MTUIMYFLUWYOLY-UHFFFAOYSA-N	218.252	2.760	0	1	BFAF	
CCCN1CC[C@H]2c3c(O)cccc3CC[C@H]21	13826515	UVOXCNCVSFLEPX-CHWSQXEVSA-N	231.339	2.906	0	1	BFAF	
CC(C)C1=CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@@H]2C1	15265060	FNMDHMSGEIODFP-KBUPBQIOSA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
CCCN[C@@H]1CCc2c(ccc(C)c2O)C1	27860321	QBQZYWZPEHRKCJ-GFCCVEGCSA-N	219.328	2.558	0	1	BFAF	
CC(C)(N)n1ccc2cc(F)c(F)cc21	89456432	SOUHBAHPWUGOGG-UHFFFAOYSA-N	210.227	2.571	0	1	BFAF	
CCC/C=C1\NC(=O)C(c2ccccc2)=C1O	101254974	GFPAFIYZDRKICP-LUAWRHEFSA-N	229.279	2.770	0	1	BFAF	
Cc1ccc2nc3c(nc2c1C)C(O)=C3O	101588733	PUCYQVUEWZOHOJ-UHFFFAOYSA-N	214.224	2.502	0	1	BFAF	
CCCCC[C@H]1O[C@@H](CC(=O)CC)CC[C@@H]1O	199940940	QHNVOXATDFDTNG-HZSPNIEDSA-N	242.359	2.844	0	1	BFAF	
Cc1cnn(C(=O)OCCCc2ccccc2)c1	299826190	FXJZVIWXBJPYRE-UHFFFAOYSA-N	244.294	2.809	0	1	BFAF	
CC1=CC2=C(CC(C)(C)[C@@H]2O)[C@@H](C)CC[C@H]1O	2356682253	IHFBKYWCINTNIX-CUOATXAZSA-N	236.355	2.811	0	1	BFAF	
CC(C)C=C1CN2CCCC[C@H]2[C@@](C)(O)C1	2356744765	IDHCJVREQNIIJH-KBPBESRZSA-N	223.360	2.578	0	1	BFAF	
CC(C)Sc1ccccc1NCC1=NCCN1	13473760	RREJZKOLYMUBNO-UHFFFAOYSA-N	249.383	2.601	0	1	BFAF	
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	14452647	MSSWKGZMPUXALD-ASHKBJFXSA-N	236.355	2.955	0	1	BFAF	endogenous,in-man
CC1=C2CC(=C(CO)CO)CC[C@]2(C)CCC1	15206410	PRRZCMHQUNHRIB-HNNXBMFYSA-N	236.355	2.958	0	1	BFAF	biogenic
O=C1N[C@H]2CCCc3ccc(Cl)cc3[C@@H]2O1	26643335	ITKXZBDTKKDOPI-QWRGUYRKSA-N	237.686	2.826	0	1	BFAF	
CCCCN[C@@H]1CCc2cc(OC)ccc2C1	28865147	SCGPXLLBWYLOQS-CQSZACIVSA-N	233.355	2.942	0	1	BFAF	
CNC/C=C(/c1ccc(F)cc1)c1cccnc1	29317271	YANMJSIUFVFKQR-NVNXTCNLSA-N	242.297	2.872	0	1	BFAF	
Cc1c/c(=N\c2ccccc2)n2ccsc2n1	102886947	BBPBQRNTVWLARS-NTCAYCPXSA-N	241.319	2.937	0	1	BFAF	
C[C@H]1[C@@H](O)C[C@@H]2C[C@@]3(OC2(C)C)[C@H]1CC[C@H]3C	238767170	YEHOSOZZRKVZEO-CGNPOWQISA-N	238.371	2.987	0	1	BFAF	
C[C@H](O)Cc1nc2cc(Cl)c(Cl)cc2[nH]1	586892575	RVRAMBYFIRGWMK-YFKPBYRVSA-N	245.109	2.793	0	1	BFAF	
Cc1ccc(-c2cccc3ncnn23)cc1	1239479456	NKKSLQNLGGIJOH-UHFFFAOYSA-N	209.252	2.705	0	1	BFAF	
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCC1CC1	1772627725	NMXXDUVHNZCKGY-YPMHNXCESA-N	249.329	2.937	0	1	BFAF	
CCC=C(C)c1cc(OC)c(C)c(=O)o1	2356521767	KZSUTXHYJQMHKM-UHFFFAOYSA-N	208.257	2.770	0	1	BFAF	
Cc1c(O)cc(O)c2c1[C@H](C)[C@H](C)CC2=O	2356528120	QRGKYMHXCFTJJI-RNFRBKRXSA-N	220.268	2.732	0	1	BFAF	
C=CC1=C(C)[C@]2(C)C[C@H](O)[C@@H](C)[C@]2(C)[C@H](O)C1	14657506	PDROKIQEFJBKSQ-MYBUGEPTSA-N	236.355	2.667	0	1	BFAF	
C/C=C/CCC(=O)c1cc(C)c(O)cc1O	14710941	PZLKKLWFFFEJHP-ONEGZZNKSA-N	220.268	2.945	0	1	BFAF	
CC(C)Cc1ccc([C@@H](C)c2nnn[nH]2)cc1	33648711	OBYHXVBZLQODNI-SNVBAGLBSA-N	230.315	2.550	0	1	BFAF	
Nc1n[nH]c2ccc(-c3cccc(Cl)n3)cc12	40412852	AKDXHLKQWLSKFV-UHFFFAOYSA-N	244.685	2.861	0	1	BFAF	
C[C@H](O)CCc1cnc2cccc3c2c1CC3	587216038	RAJAUQDJWOQNOU-JTQLQIEISA-N	227.307	2.647	0	1	BFAF	
Cc1cc(F)c2[nH]c(CC3CC3)nc2c1	587959886	RUIKFWZQUUBOIV-UHFFFAOYSA-N	204.248	2.963	0	1	BFAF	
CCOC(=O)c1conc1-c1sccc1C	4031250	REJLBNHAGGQIIV-UHFFFAOYSA-N	237.280	2.888	0	1	BFAF	
CSc1cc(=O)oc2cccc(C)c12	14592426	ZYPOGPAECURRGL-UHFFFAOYSA-N	206.266	2.823	0	1	BFAF	biogenic
COc1ccc2c(c1)[C@H](CNC(C)=O)CCCC2	26995803	KVNZIXQURKBZBY-ZDUSSCGKSA-N	247.338	2.641	0	1	BFAF	
COc1cc2c(cc1-c1ccccc1)OC(=O)C2	29249215	WURGJCMSSAIUFF-UHFFFAOYSA-N	240.258	2.824	0	1	BFAF	
Cc1cccc(-c2cc3n(n2)CCCC3)n1	96911188	VCYMOBHLOMQHOX-UHFFFAOYSA-N	213.284	2.590	0	1	BFAF	
C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](CC)C1=O	169693620	PALFIRWEIHKIOY-GVMXVVJYSA-N	224.325	2.746	0	1	BFAF	
COc1cc2nc(CC3CC3)[nH]c2cc1C	587959380	MNRSYXKWTYHGTJ-UHFFFAOYSA-N	216.284	2.832	0	1	BFAF	
COC(=O)C/C=C1\c2ccccc2[C@H](OC)[C@@H]1C	7992505	BAHWNFBCNAWEMW-JQVNHUOHSA-N	246.306	2.970	0	1	BFAF	
Cc1cc2sc3nnnc-3c(O)c2cc1C	26382925	DYCKBTXJCZHOBH-UHFFFAOYSA-N	231.280	2.514	0	1	BFAF	
O=C(O)C1(C(=O)O)CCC2(CCCCCC2)C1	27408930	GVGFPDRYVNARSQ-UHFFFAOYSA-N	240.299	2.667	0	1	BFAF	
CC(C)Cc1oc2ccccc2c(=O)c1O	28875446	OGUCWRGVKQHIHJ-UHFFFAOYSA-N	218.252	2.697	0	1	BFAF	
C[C@H]1C=C(CO)C(CO)=C[C@@H]2CC(C)(C)C[C@@H]12	32183483	YFVJPBYYCUEIKS-WDMOLILDSA-N	236.355	2.526	0	1	BFAF	
CN1[C@@H]2CC[C@@H]1[C@H](c1ccc(F)cc1)C2	100913626	BXGWCQDCHRVLAK-FRRDWIJNSA-N	205.276	2.776	0	1	BFAF	
COc1cc(F)ccc1-c1nc2cc[nH]cc-2n1	100964614	MGSWYEXITMIOAE-UHFFFAOYSA-N	243.241	2.724	0	1	BFAF	
CCc1cnc2cc3c(cc2c1)[C@@H]1CNC[C@@H]3C1	101032333	RAGYLUOTYIODHC-STQMWFEESA-N	238.334	2.971	0	1	BFAF	
C(=C1\CCC2=NCCCN21)\c1ccccc1	114634126	CFUYSDDKCDEGRB-ACCUITESSA-N	212.296	2.926	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@]21C	299814536	LRNABWCLYGWJSN-ANZHJJKQSA-N	231.383	2.913	0	1	BFAF	
CCC(C)(C)C(=O)N(C)[C@H](CO)c1ccccc1	1772650800	FXNBMRDWJAXUSP-CYBMUJFWSA-N	249.354	2.615	0	1	BFAF	
Cc1ccc2c(c1)C(=CC(C)C)C[C@@]2(O)CO	2356712377	AKXHNODNODMVJN-OAHLLOKOSA-N	232.323	2.618	0	1	BFAF	
CC1(C)C[C@@H]2C=C(CO)[C@]3(O)CC[C@@]3(C)[C@@H]2C1	14680884	GYJKRLXBILQJJZ-MMMKDXCPSA-N	236.355	2.502	0	1	BFAF	biogenic
Cc1ccc(C(C)C)c2c1[C@H](O)[C@H](O)[C@@H](C)C2	14918365	OEBHZESREHLVQJ-VQISRLSMSA-N	234.339	2.705	0	1	BFAF	biogenic
CCCN[C@H]1COc2ccccc2[C@@H]1C	27550117	NNHPDNXLURWZJE-JQWIXIFHSA-N	205.301	2.551	0	1	BFAF	
CCC[C@@H](CC)OCN1C=CN(C)/C1=C\N=O	219803656	UKWOTEFPMKWCEL-LWMMSDEHSA-N	239.319	2.823	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(OC)ncc2[nH]1	586890421	OZXIYLJZIBFUQG-AMIZOPFISA-N	231.299	2.870	0	1	BFAF	
O=NCc1cc2cc(Br)cnc2o1	957581958	YVUWTWJYBDPWAR-UHFFFAOYSA-N	241.044	2.857	0	1	BFAF	
CC1=C[C@@H](OCC2=C[C@H]3C[C@@H](C2)C3(C)C)OC1=O	1857582607	XLVPZGHKEFPDOL-XQQFMLRXSA-N	248.322	2.825	0	1	BFAF	
c1cnc(-c2nc(-c3ccncc3)cs2)nc1	1857641613	OQRWVNZZKORFKR-UHFFFAOYSA-N	240.291	2.662	0	1	BFAF	
CC1(CN)c2ccccc2Cc2ccccc21	13473109	MUKXLBPADGZYIK-UHFFFAOYSA-N	223.319	2.856	0	1	BFAF	
CN(C)[C@H]1[C@@H]2CC[C@@H](CC2=O)[C@@H]1c1ccccc1	13802283	ZZMFVOLMDOEQOA-XRGAULLZSA-N	243.350	2.699	0	1	BFAF	
CC1=CC[C@@H]2C(=O)c3ccccc3[C@H](O)[C@H]2C1	14723778	VGPZTHUCGDCDIX-YDHLFZDLSA-N	228.291	2.889	0	1	BFAF	biogenic
CC1=C2C[C@@H]3O[C@]3(C)[C@@H]2[C@@H]2OC(=O)C(C)=C2CC1	15160873	UHDFWCWSGUBZKZ-XPCVCDNBSA-N	246.306	2.516	0	1	BFAF	biogenic
CC(=O)N(c1ccccc1)[C@@H]1CCC[C@@H]1N(C)C	28242556	GGZSBGCCQOBQNS-LSDHHAIUSA-N	246.354	2.522	0	1	BFAF	
CCCCN[C@@H]1CCc2ccc(O)cc2C1	28865185	DQNYYQHCWYAOPC-CYBMUJFWSA-N	219.328	2.639	0	1	BFAF	
CN(C)C[C@@H]1C[C@H]1c1cnc2ccccc2c1	28960129	IRSPOVOLBHRLDQ-KBPBESRZSA-N	226.323	2.900	0	1	BFAF	
CCCCC(=O)O[C@H](C)C[C@H]1NCC(C)=C1C	33818217	WVKNDJSJSSMXDJ-DGCLKSJQSA-N	239.359	2.807	0	1	BFAF	
Fc1ccc2c(c1)-c1n[nH]cc1CS2	63539566	UCEVASZFLAMHAD-UHFFFAOYSA-N	206.245	2.822	0	1	BFAF	
CCCCC[C@H]1[C@@H]2Cc3c(n[nH]c3C(=O)O)[C@H]12	84712898	LRSWOBPCCZMIMT-OYNCUSHFSA-N	234.299	2.574	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1CCCN[C@@H]2C1	100925534	UQJJRYFXFFOINV-NOZJJQNGSA-N	203.285	2.607	0	1	BFAF	
O=C1c2ccc(Cl)cc2CN1c1cccnc1	223965796	MMJCDUBUESXINV-UHFFFAOYSA-N	244.681	2.895	0	1	BFAF	
Cc1cnn(Cc2cc3c4c(cccc4n2)CC3)c1	587211371	QDJWTBKIAAMJTH-UHFFFAOYSA-N	249.317	2.887	0	1	BFAF	
N[C@@H](N=O)c1ccc2nc(C=C3CCC3)[nH]c2c1	587965785	XOQRFTZCZUYCLL-ZDUSSCGKSA-N	242.282	2.854	0	1	BFAF	
C[C@@H]1CC=C2[C@@H]3[C@@H]1C[C@@H](O)[C@@]3(C=O)CC2(C)C	14506943	PDQCQIKOOSJLFX-TUJOMHJISA-N	234.339	2.565	0	1	BFAF	biogenic
CCc1ccc(O)c(C(=O)c2cccn2C)c1	28762155	SUHMPXDSLXFVCA-UHFFFAOYSA-N	229.279	2.524	0	1	BFAF	
Fc1cccc(-c2nc3cc[nH]cc-3n2)c1	100970126	HTJGBILMZZRVGG-UHFFFAOYSA-N	213.215	2.716	0	1	BFAF	
COc1cc(CC(C)C)cc(OC)c1OC	169302905	KSAIXMUSQQWFQM-UHFFFAOYSA-N	224.300	2.911	0	1	BFAF	
CC1=CO[C@@H](c2ccccc2)[C@@H](C)[C@@H]1O	169348011	ZCZKWXJIPYYHIU-CYZMBNFOSA-N	204.269	2.659	0	1	BFAF	
CC(C)[C@](C)(O)c1nc2cc(F)cc(F)c2[nH]1	586891180	TYMSAQYQEDHMLD-LBPRGKRZSA-N	240.253	2.705	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2[C@H](C)CC[C@@H]1CO	2356773934	MUCSQDHAVMOROR-BPGGGUHBSA-N	238.371	2.750	0	1	BFAF	
C[C@H]1C[C@H]2CC[C@@]34CCCN5CCC[C@@]23[C@@]5(C1)N4	2356784319	OAZOHRGEPYRUQB-NPJQDHAYSA-N	246.398	2.741	0	1	BFAF	
Oc1cccc(OCCNCc2ccccc2)c1	12355952	VBTFJGYCISLKEQ-UHFFFAOYSA-N	243.306	2.561	0	1	BFAF	in-vivo
C[C@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C	15160890	ZADVMZUKWWMSLQ-MRWSCNBVSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
Cc1cccc(-c2cnn3c(C)nc(C)nc23)c1	26501978	WAPVLWMYZQAEME-UHFFFAOYSA-N	238.294	2.717	0	1	BFAF	
Sc1ccnc2c(-c3ccccc3)cnn12	27709430	NMEXOVWWNBEALI-UHFFFAOYSA-N	227.292	2.685	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@](C)(O)[C@@H]2C[C@@H]1O	238787306	DGZPYTSARMEKSO-QRTUWBSPSA-N	238.371	2.747	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)[C@H]1CC[C@@H](C4)N1)CC2	587213141	YLBQCCLHZNMRHQ-IINYFYTJSA-N	236.318	2.683	0	1	BFAF	
Cc1cc2[nH]c(C3CCC(N)CC3)nc2c(C)n1	587256956	WZECBPJIJHGUNY-UHFFFAOYSA-N	244.342	2.560	0	1	BFAF	
C(CCc1nn[nH]n1)CCC1CCCCC1	5413317	LRIXYEILEFBHJG-UHFFFAOYSA-N	222.336	2.883	0	3	BFAF	
CCO[C@H](c1ccc(Cl)cc1)C1CNC1	95553335	FWXVMQKDWPKVIN-GFCCVEGCSA-N	225.719	2.637	0	1	BFAF	
Cc1[nH]c2c(C(=O)O)cccc2c1N=O	587637730	GXVARQDBHGNOPM-UHFFFAOYSA-N	204.185	2.572	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H](C1)OC(C)(C)C[C@]2(C)O	1857638394	KDKZKKFLICQAAI-UZWSLXQKSA-N	212.333	2.741	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@@H]1C[C@@H](O)C=C[C@H]1O	2356407227	SUVNWYDXCRSEDC-XDQVBPFNSA-N	224.344	2.667	0	1	BFAF	
CC=CC=C[C@@H]1Cc2cc(O)cc(O)c2O1	2356618506	WTFIFQXTQCYJKU-LLVKDONJSA-N	218.252	2.534	0	1	BFAF	
CCCN1CCC2=C(C1)c1nc(N)sc1CC2	13824114	MMQVSXNDUIHJLN-UHFFFAOYSA-N	249.383	2.541	0	1	BFAF	
CSC(C)=C=C=Cc1cccc(=O)o1	14593663	UHKQQAVHSXDUBK-UHFFFAOYSA-N	206.266	2.674	0	1	BFAF	biogenic
CC(C)(C)COc1ccc2c(N)[nH]nc2c1	45202601	JTNMSXOXPRODCB-UHFFFAOYSA-N	219.288	2.570	0	1	BFAF	
CN(C)[C@H]1[C@H](c2ccccc2)[C@H]2CC[C@H]1C(=O)C2	253649322	ZZMFVOLMDOEQOA-WMHQRMGPSA-N	243.350	2.699	0	1	BFAF	
C=CC(=O)NCc1cc(C2CCCCC2)no1	618018170	UTGSTKLJSNGEEA-UHFFFAOYSA-N	234.299	2.525	0	1	BFAF	
CC(C)=C[C@H](O)C[C@@](C)(O)c1ccc(C)cc1	2356605599	LWSUCBOVPPLFKU-LSDHHAIUSA-N	234.339	2.920	0	1	BFAF	
CCCCC[C@](O)(C(=O)O)c1ccccc1	13586406	ATFAPMGQRYMYCT-CYBMUJFWSA-N	222.284	2.539	0	1	BFAF	
Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1	40896210	LMGLVWVNPWWAAK-OAHLLOKOSA-N	245.297	2.857	0	1	BFAF	
CN1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]3C1	40981218	YXIUYPRXQHZXHQ-VZANTVGXSA-N	205.345	2.764	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2O	86047915	HPRWPDWDPFHVBC-MHDGFBEUSA-N	226.360	2.725	0	1	BFAF	
O=C1Oc2ccc(O)cc2/C1=C/c1ccccc1	53296989	AVCRNUXURMRLGP-JYRVWZFOSA-N	238.242	2.852	0	1	BFAF	
CC(C)CN(CC(C)C)C(=S)n1ccnc1	199244531	YACUGIZGYDSHCK-UHFFFAOYSA-N	239.388	2.630	0	1	BFAF	
CC(C)=CC[C@@H](O)[C@]1(C)[C@@H]2CC[C@@H](C2)[C@]1(C)O	238731087	VORYVMSYLVEJBA-SEBNEYGDSA-N	238.371	2.891	0	1	BFAF	
N=c1cc[nH]cc1-c1cc2c3c(cccc3n1)CC2	587211192	NCFDWIKSNVHRGP-UHFFFAOYSA-N	247.301	2.808	0	1	BFAF	
CO[C@H]1Cc2c1nc1cccc3c1c2CC3	587214225	OVCIWEGKLWNRFW-LBPRGKRZSA-N	211.264	2.577	0	1	BFAF	
CC(=O)Nc1cc(O)cc(Cc2ccccc2)c1	1857655175	SDPATFDQTCOGIJ-UHFFFAOYSA-N	241.290	2.941	0	1	BFAF	
O=C1C=CC[C@@H]2[C@@H]3CCC[C@@H]4CCC[C@H](CN12)[C@@H]43	2356573283	IGXQFUGORDJEST-OJKRMQCYSA-N	245.366	2.990	0	1	BFAF	
Cc1ccc2c(c1)CCC1=C2CCC(=O)N1C	5664	RBPQCPHSUIBFFS-UHFFFAOYSA-N	227.307	2.905	0	1	BFAF	
C[C@@H]1C(=O)C2=C(CC(C)(C)C2)[C@@](C)(O)C12CC2	14455574	DNFFXGIQBVWGGT-YMTOWFKASA-N	234.339	2.853	0	1	BFAF	biogenic
C[C@H]1CC[C@@H](C(C)(C)O)C[C@@H]2C1=C[C@H](O)[C@@H]2C	28642883	HOIPKOPJTJSELQ-AXMVNOCNSA-N	238.371	2.747	0	1	BFAF	
C/C=C/c1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3	29253607	LXWRAORBASKIQA-SNAWJCMRSA-N	241.294	2.826	0	1	BFAF	
Cc1cc(C)cc(C(=O)OC2CCN(C)CC2)c1	29322280	WRAJCDXYMPHKDL-UHFFFAOYSA-N	247.338	2.554	0	1	BFAF	
COCc1ccc(F)c2c1CC[C@H]2c1ncc[nH]1	40936743	XRQKVZIMSYVCGI-LLVKDONJSA-N	246.285	2.773	0	1	BFAF	
CCC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C=CC[C@@H]21	100051218	ZPFJBPIFMMENKC-HHHUOAJASA-N	206.285	2.540	0	1	BFAF	
C[C@H]1CC[C@@H]2[C@@](C)(CO)C[C@@]3(C)CC[C@H]1[C@]23O	238780897	IXPRLIUGGYJMBP-QFEQQRJNSA-N	238.371	2.582	0	1	BFAF	
Cc1nccc2[nH]c(-c3ncccc3Cl)nc12	587065628	UOQLBGROMYELOB-UHFFFAOYSA-N	244.685	2.982	0	1	BFAF	
Cc1sc2c(c1C)CCN[C@]2(C)CF	963031038	SQZYFUZMPPLAEL-LLVKDONJSA-N	213.321	2.695	0	1	BFAF	
CSC=CC(=O)N(C)C=Cc1ccccc1	2356555261	NSAAZPOVMULKTO-UHFFFAOYSA-N	233.336	2.992	0	1	BFAF	
FC(F)(F)C1=CC(c2cccs2)=NCCN1	189550	UTVTXTYRRBFSLK-UHFFFAOYSA-N	246.257	2.587	0	1	BFAF	
C/C(=C\c1ccccc1)n1c(=O)cc(C)n1C	5849854	XLJINAIHKBMISS-FMIVXFBMSA-N	228.295	2.513	0	1	BFAF	
c1nc(CC2CCN(C3CCCCC3)CC2)c[nH]1	13612853	WAOQTMYPIGWOBD-UHFFFAOYSA-N	247.386	2.997	0	1	BFAF	
C[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C	15160889	ZADVMZUKWWMSLQ-YZDFOLFKSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
CCCCN[C@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]5C[C@@H]([C@H]24)[C@]1(C)[C@@H]35	27982665	LRNABWCLYGWJSN-MULOTGRVSA-N	231.383	2.913	0	1	BFAF	
CCCn1cnc2cc3c(cc21)[C@H]1CNC[C@@H]3C1	28527415	WBYFNWHZLPPQST-WDEREUQCSA-N	241.338	2.620	0	1	BFAF	
N#C/C=C\n1cnc(-c2cccc(Cl)c2)n1	115890544	YWGXCTCLIWNYDN-KXFIGUGUSA-N	230.658	2.593	0	1	BFAF	
CCN[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@@]12CC	195097794	JWACGMVTPOOTMF-KXYOQKSKSA-N	217.356	2.523	0	1	BFAF	
CC1(C)C[C@H]2[C@@H](C1=O)[C@@]1(C)CCC[C@@]2(C)C1=O	195428794	JADJNAKWESLSIG-NBLIUIFLSA-N	234.339	2.997	0	1	BFAF	
CN1CCCC[C@H]1CC(=O)c1cccs1	13554217	KNONMNIXSVWCFB-JTQLQIEISA-N	223.341	2.805	0	1	BFAF	
c1nc(NC2CC2)c2ncn(C3CCCC3)c2n1	26947930	GDWATTMWDHKATQ-UHFFFAOYSA-N	243.314	2.516	0	1	BFAF	
CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@@](C)(O)CC1	238774276	IWQURBSTAIRNAE-QPSCCSFWSA-N	238.371	2.891	0	1	BFAF	
CCN1CCC[C@H]2c3cccc(O)c3CC[C@H]21	261103171	GVOROUDOZOBZIC-GXTWGEPZSA-N	231.339	2.906	0	1	BFAF	
O=[S@](Cc1ccccc1)c1ccccc1O	653851560	OHCBXXLHWRALFL-MRXNPFEDSA-N	232.304	2.700	0	1	BFAF	
CC1=CC[C@H]2CO[C@@H](C3=CN(C)[CH]C=C3)[C@H]1C2	2356839927	WIRBGWWBHDAHTD-SNPRPXQTSA-N	230.331	2.905	0	1	BFAF	
C1=C(c2ccncc2)N2CCN=C2c2ccccc21	13740235	MFVYQGMRRKNURM-UHFFFAOYSA-N	247.301	2.656	0	1	BFAF	
CSc1ccccc1OC(=O)C(F)(F)F	13782073	LEZWNOGJVIFLIU-UHFFFAOYSA-N	236.214	2.876	0	1	BFAF	
CCCN1CC[C@H]2Cc3c(O)cccc3C[C@@H]21	13826573	DYVLYWKEJHHXOH-JSGCOSHPSA-N	231.339	2.591	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@@H]1[C@@H]1C=CC[C@@H]12	58501842	KQEBFIGSBWGPFB-MAWWSGROSA-N	226.323	2.545	0	1	BFAF	
Cc1cc(C)cc(CC2CC(=O)CC(=O)C2)c1	102928173	CVMDGPUVOMWKCU-UHFFFAOYSA-N	230.307	2.784	0	1	BFAF	
NC(=O)/C=C1/CCc2c(Cl)cc(Cl)cc21	142031585	SYAJJMQOXYOIRW-UTCJRWHESA-N	242.105	2.808	0	1	BFAF	
CC(=O)CCC/C(C)=C/[C@@H]1CC(C)=CC(=O)O1	238787167	WJGICUNWMSIRJO-UTSBKAFOSA-N	236.311	2.954	0	1	BFAF	
CCCCCC[C@@H](O)c1oc(C)cc(=O)c1O	1857770929	ZBRWWPRAZVSPIU-SNVBAGLBSA-N	240.299	2.658	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)C(=O)[C@]3(C)C[C@H](O)[C@]12C3	13382502	DDUWSZBURGHFEW-CDYMVBJSSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
CC(=O)C[C@@H]1c2ccccc2N=C2CCCN21	14638353	YMTAZHNVFUVLKW-CYBMUJFWSA-N	228.295	2.846	0	1	BFAF	biogenic
CCC[C@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1	230514529	ZQWCTWAOPTYJIS-AUQWCNHSSA-N	237.387	2.968	0	1	BFAF	
CC1(C)C[C@@H]2[C@H](CC[C@]2(C)O)[C@@]2(CO)C[C@H]2C1	2356732877	COJSYKXSLPADGO-FMKNKJFCSA-N	238.371	2.582	0	1	BFAF	
FC[C@H]1Cc2ccc(C(F)(F)F)cc2CN1	13517644	WQBSOLCCDPNBIT-SNVBAGLBSA-N	233.208	2.689	0	1	BFAF	
CC(C)(C)Sc1cccc2nc(N)nc(N)c12	84708200	BCCAINIRPDAEBO-UHFFFAOYSA-N	248.355	2.685	0	1	BFAF	
CCC1(CC)[C@@H](C(=O)O)C1(Cl)Cl	103186924	GCRSJMPLMDOCLE-RXMQYKEDSA-N	211.088	2.681	0	1	BFAF	
COc1cc(C(C)=O)cc2c(=O)c(C)c(C)oc12	143641161	QVHWRCXJIIASOF-UHFFFAOYSA-N	246.262	2.621	0	1	BFAF	
CN1C[C@@H]2C=C(c3cncc(F)c3)C[C@@H](C2)C1	169294576	ZMEGTXPZASMCHV-WDEREUQCSA-N	232.302	2.576	0	1	BFAF	
C[C@H]1N=C2[C@H](CC[C@@H]3CCCC[C@@]23C)OC1=O	653833318	ARIFBDSSNHUDMS-YAMSLAJTSA-N	235.327	2.732	0	1	BFAF	
CC(=CCC[C@@](C)(O)c1ccc(C)cc1)CO	2356632671	GIBUWLSTZDPUEL-OAHLLOKOSA-N	234.339	2.921	0	1	BFAF	
CC1(C)CCC[C@](C)(O)[C@@H]2CCC(CO)=C[C@@H]21	2356652808	QRYPQTUSGXZGNH-IPYPFGDCSA-N	238.371	2.892	0	1	BFAF	
CCCCO[C@@H](OCC(C)C)C(C)(C)O	13380437	XDNTYWKFQWLSGQ-NSHDSACASA-N	218.337	2.573	0	1	BFAF	biogenic
CCCCCCOCC(=O)C(F)(F)F	13492590	LYFHIZKUSAXSSM-UHFFFAOYSA-N	212.211	2.715	0	1	BFAF	
O=C(O)c1ccc([C@H]2CCCc3cncn32)cc1	13820306	KLIYHHIBTVVFPB-CYBMUJFWSA-N	242.278	2.507	0	1	BFAF	
Cc1cc(-c2cccnc2)cc2ccc(=O)[nH]c12	26174214	KNFMHTSIOZRZKU-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
C[C@H]1CCCN1CCc1ccc(N(C)C)cc1	29131442	KKFGTYGYVFMBON-ZDUSSCGKSA-N	232.371	2.779	0	1	BFAF	
CC(=O)N[C@@H]1CCCc2c1c1ccccc1n2C	29330789	OWFHNPOVFVIYAY-GFCCVEGCSA-N	242.322	2.692	0	1	BFAF	
Cc1ccc(C2=NC(C)(C)C(C)(C)N2[O])cc1	101096685	UNGGKVROOOKLKH-UHFFFAOYSA-N	231.319	2.960	0	1	BFAF	
CC(C)(C)/C(O)=C/C(=N)c1ccncc1	101927987	CGUGZKNUIIJITA-OPWQAUHBSA-N	204.273	2.937	0	1	BFAF	
Cc1cc(F)ccc1-n1cnc2ccc(O)nc21	118269908	PLGYSFDJDYWWCG-UHFFFAOYSA-N	243.241	2.574	0	1	BFAF	
Cc1cc(C)cc(-n2cnc3ccc(O)nc32)c1	118271414	PQSCMLUDPHAYNY-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
Cc1c(C(=O)O)ccc2cc(C(=O)O)ccc12	138058110	RSZZOYYYZOWNCO-UHFFFAOYSA-N	230.219	2.545	0	1	BFAF	
CC(C)[C@@H]1CCC(CO)=C2CC[C@@](C)(O)C[C@@H]21	2356494987	AEIGTUFAPRNEKB-NWANDNLSSA-N	238.371	2.892	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@](C)(CO)C[C@]3(C)CC[C@H]1[C@@]23O	2356684056	IXPRLIUGGYJMBP-PMXAPFLYSA-N	238.371	2.582	0	1	BFAF	
CC1(C)[C@@H]2C=C[C@@]1(C)C1(CC2)OCCO1	1636245	PUAQBSTWKFCNRV-ZYHUDNBSSA-N	208.301	2.742	0	1	BFAF	
NC1=N[C@H](c2ccccc2F)Cc2ccccc21	25976124	XVFZTEAZCMAZMP-AWEZNQCLSA-N	240.281	2.828	0	1	BFAF	
COC(=O)c1ccc(OC=C(C)C)c(OC)c1	40881387	IXBPVFGRYOFBHM-UHFFFAOYSA-N	236.267	2.784	0	1	BFAF	
Cc1ccccc1C[C@]1(C)SC(=O)[C@@H](C)C1=O	169719268	GRWPBKZKPSWYDU-HZMBPMFUSA-N	248.347	2.775	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(C(N)=O)cc2[nH]1	586889085	KWTPUKKJPIJBGW-OTYXRUKQSA-N	243.310	2.565	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(O)cc2[nH]1	586911109	KOHKWMBGBLCTPO-GWCFXTLKSA-N	246.310	2.941	0	1	BFAF	
Cc1[nH]c2cccc(F)c2c1Cn1cccn1	587636346	XITJNAHOYYLKHE-UHFFFAOYSA-N	229.258	2.860	0	1	BFAF	
CC(C)c1cc(Cc2ccccc2)n(O)c(=O)c1	96270372	ZGKKGFUQIAVMLN-UHFFFAOYSA-N	243.306	2.800	0	1	BFAF	
COc1cc(CC=C(C)C)c(O)c(OC)c1	223107205	DLLRROVHIODGPI-UHFFFAOYSA-N	222.284	2.918	0	1	BFAF	
Fc1cncc(-c2nc3ccc(Cl)nc3[nH]2)c1	587176886	ILMWSYKQPBTSDH-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
CC1=C2[C@H](O)[C@H]3CC[C@H](C)[C@@]2(C[C@H]1O)C3(C)C	2356536345	JWRIVMKRTJGBEB-ZVNHADLESA-N	236.355	2.501	0	1	BFAF	
C[C@H]1CC[C@@]2(O1)C(C)(C)CCC[C@@]2(C)O	2020094	LJOISVFAMDWVFA-CYZMBNFOSA-N	212.333	2.885	0	1	BFAF	endogenous,in-man
COc1nncc2[nH]c(-c3ccccc3)cc12	6483459	XBUJBNGRWIIGKJ-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
N[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1	13642468	VIARWTMQSXHGDS-UKRRQHHQSA-N	243.281	2.547	0	1	BFAF	
C[C@@H]1CCC=C2CCC([C@](C)(O)CO)=C[C@]21C	15200440	IHQKZXXEUOQSEW-BYCMXARLSA-N	236.355	2.813	0	1	BFAF	biogenic
Cc1sc2ncc(Cl)cc2c1NC(=N)N	28713360	AQQLSYXPJWOVDE-UHFFFAOYSA-N	240.719	2.563	0	1	BFAF	
CC[C@@H](C)Oc1nccc2c1C(C1CC1)=NC2	96175969	KTTXKGSCLQOCIK-SECBINFHSA-N	230.311	2.972	0	1	BFAF	
C[C@@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@@](C)(O)O2	2356592802	KWEHQSJHTLFZSW-VPCRRHSYSA-N	224.344	2.946	0	1	BFAF	
CCCCC[C@@]1(OC)OC(=O)C(C)=C1C	14589543	QDIFXAAXCWCFQE-GFCCVEGCSA-N	212.289	2.803	0	1	BFAF	biogenic
O=C1[C@H]2CC=C[C@H]2[C@@H]1Sc1ccccc1	39325806	CRPULFVUVYYWLO-LOWVWBTDSA-N	216.305	2.922	0	1	BFAF	
CC(C)C[C@@H](N)[P@@](=O)(O)Oc1ccccc1	49793957	OHFJDOMHHDRJIU-NSHDSACASA-N	243.243	2.582	0	1	BFAF	
CC1(C)[C@@H]2C=C[C@]1(C)C1(CC2)OCCO1	102953920	PUAQBSTWKFCNRV-PWSUYJOCSA-N	208.301	2.742	0	1	BFAF	
Cc1ncc2c(n1)-c1ccccc1CCC2	142645977	BFONXSXNZPAXPS-UHFFFAOYSA-N	210.280	2.941	0	1	BFAF	
CCC(CC)n1cc(C(=O)C(F)F)cn1	473114672	OMWCMVDBFIANLH-UHFFFAOYSA-N	216.231	2.692	0	1	BFAF	
COC(=O)[C@@H](F)c1[nH]c2cccc(F)c2c1C	587634353	VQTXYZYDYGFGMR-JTQLQIEISA-N	239.221	2.799	0	1	BFAF	
CC(C)=CCc1cc(C=CC(=O)O)c(O)cc1O	2356657804	UQFQTWXORYDYFG-UHFFFAOYSA-N	248.278	2.704	0	1	BFAF	
Cc1ccccc1OC1=CCN(C)CC1	13603038	AYLNWCAKXDPUDM-UHFFFAOYSA-N	203.285	2.593	0	1	BFAF	
Cc1cccc2c(=O)oc(C(F)(F)F)nc12	27547281	GLILAGGVEKCBNO-UHFFFAOYSA-N	229.157	2.515	0	1	BFAF	
CCn1c(-c2cccnc2)nc2cnccc21	28397603	TVQQGZOEKRYAIO-UHFFFAOYSA-N	224.267	2.513	0	1	BFAF	
NC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1	36177481	GELSJFZDHVLESJ-CRWXNKLISA-N	201.313	2.775	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CC[C@@H](O)C[C@H]21	40441904	ZXASUIFTYKJPOW-GUTXKFCHSA-N	246.374	2.575	0	1	BFAF	
C[C@@]1(c2ccccc2)C[C@@H]1NC1CCC(N)CC1	149628325	YCAWTMXHBSTPQD-CKUJCDMFSA-N	244.382	2.576	0	1	BFAF	
c1ccc2[nH]c(CCOCC3CC3)nc2c1	587783276	LUCXSYZTFPQIEX-UHFFFAOYSA-N	216.284	2.532	0	1	BFAF	
CCCC/C=C/c1nc2ncc[nH]c-2n1	587964677	AXFHQDRDSQGIHF-AATRIKPKSA-N	202.261	2.508	0	1	BFAF	
COc1ccc2c(c1)cc1c(=S)[nH]ncn12	25984094	YYFNCXVBRAYWJA-UHFFFAOYSA-N	231.280	2.554	0	1	BFAF	
Oc1n[nH]c2cccc(-c3ccccc3)c12	63539510	ILQIGZWJHNZUGE-UHFFFAOYSA-N	210.236	2.936	0	1	BFAF	
C=Cc1nccc2c3ccccc3n(CO)c12	238781481	UXNDEPVXXDIZQU-UHFFFAOYSA-N	224.263	2.782	0	1	BFAF	
CSC(=S)/C=C(\O)c1ccco1	1911573953	BBSMOTVGHWITSO-WAYWQWQTSA-N	200.284	2.869	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(CC1=O)C[C@@H]1C[C@]12C	2356417391	ZUTBZJSJTAUXPB-DTFMEENKSA-N	236.355	2.789	0	1	BFAF	
CC=Cc1c(OC)cc(OC)cc1OC	2356562613	YBMDBMYALSGVCL-UHFFFAOYSA-N	208.257	2.746	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1CCN(C)C[C@@H]1CC2	13455424	FEUJDFQHFVSOTK-GXTWGEPZSA-N	231.339	2.677	0	1	BFAF	
N=C(N)c1cccc(Cc2ccccc2)c1	39191567	UUOXQMXMHGATBL-UHFFFAOYSA-N	210.280	2.561	0	1	BFAF	
CCNc1nc(SCC)nc2ncccc12	72177461	KFAWTRZXNMSVKI-UHFFFAOYSA-N	234.328	2.569	0	1	BFAF	
CC(C)=CCc1c(O)ccc2oc(=O)c(O)cc12	202230480	QAPXWASIQPCVJH-UHFFFAOYSA-N	246.262	2.713	0	1	BFAF	
Cc1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2n1	586917061	KRTBMWGAUBPXDV-KWQFWETISA-N	231.299	2.754	0	1	BFAF	
Cc1[nH]c2cccc(F)c2c1CN(C)C	587635320	JWRUMRFUWUWPHH-UHFFFAOYSA-N	206.264	2.677	0	1	BFAF	
C1=CC[C@H](CN2CC[C@H](c3cc[nH]n3)C2)CC1	621431811	OBAPYLMKIHNJHU-STQMWFEESA-N	231.343	2.555	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(CO)=C[C@H]12	2356387102	HMMDOUGSSLPXAX-MHEUCROKSA-N	238.371	2.748	0	1	BFAF	
CCC=CC1=C2NC(=N)N[C@@H]3CC[C@H](C[C@H]1C)[C@H]23	2356757255	YSZQKSLEUOCOPD-WFFHOREQSA-N	245.370	2.769	0	1	BFAF	
CCCCc1cccc(OC(=O)NC)c1	84757189	CSNQXJKXPIKCCA-UHFFFAOYSA-N	207.273	2.747	0	1	BFAF	
COc1ccc2cc3ccoc3nc2c1OC	206377934	WMSUFRYDRCCPOM-UHFFFAOYSA-N	229.235	2.998	0	1	BFAF	
CC1=CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12	238784194	GLJUGKFIAGMAKM-GLQYFDAESA-N	248.322	2.705	0	1	BFAF	
O=[S@@](CCC(F)=C(F)F)c1nccs1	299855857	BSWXOXSBCUIOOV-AWEZNQCLSA-N	241.259	2.718	0	1	BFAF	
Oc1ncnc2[nH]c(CC3CCCCCC3)nc12	587959998	DOYLUPLYXBPBOV-UHFFFAOYSA-N	246.314	2.571	0	1	BFAF	
Fc1cc(-c2c[nH]c3cnccc23)ccn1	1245394640	JWPRBWJPSBXQOO-UHFFFAOYSA-N	213.215	2.764	0	1	BFAF	
CSCc1cc2ccccc2oc1=O	1857569597	UZVAHXXSTGNTCM-UHFFFAOYSA-N	206.266	2.656	0	1	BFAF	
O=C1CCCc2nnc(-c3ccccc3)cc21	13781199	ZVINFTUPZUDNAA-UHFFFAOYSA-N	224.263	2.663	0	1	BFAF	
Cc1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1	586912160	UWVDVCJPVHEKRY-SECBINFHSA-N	244.294	2.680	0	1	BFAF	
C[C@@H]1CO[C@@H]2[C@@H]1CC[C@@H](C)[C@@]21C=C(CO)CC1	2356635481	ZJJLCEATKJINRL-OKNSCYNVSA-N	236.355	2.766	0	1	BFAF	
CN1CCCC2=C(N)c3cc(Cl)ccc3N[C]21	2356810296	DEAFNYQKUDMVHK-UHFFFAOYSA-N	248.737	2.650	0	1	BFAF	
Cc1cccc2c1[C@@]1(CO1)c1c(C)coc1C2=O	13434540	DYOFXTJBWMHBJN-HNNXBMFYSA-N	240.258	2.715	0	1	BFAF	biogenic
Cc1coc2c1C(=O)[C@@H]1O[C@]1(C)[C@@H]1CCC[C@]21C	15194625	KEGTZXGAJODURK-JUTUQKRISA-N	246.306	3.000	0	1	BFAF	biogenic
C[C@@H]1CCC=C2C[C@H](O)[C@@H](C(C)(C)O)C[C@]21C	15200779	YBQVGPHSOFTBIG-HTUGSXCWSA-N	238.371	2.891	0	1	BFAF	biogenic
Cc1cccc(C)c1S[C@H](C)C1=NCCN1	27657710	XBMQJGKDOSYXPA-LLVKDONJSA-N	234.368	2.786	0	1	BFAF	
COc1ccc2c(c1)NC(=O)/C2=C\C=C(C)C	139677148	ACAYJUFAIJJELS-SDQBBNPISA-N	229.279	2.997	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2cncc(C)c2[nH]1	586908715	CXJPUYAHXHUQRI-ZYHUDNBSSA-N	245.326	2.939	0	1	BFAF	
Cc1ccc(C)c2c1C[C@@H](C(C)(C)O)CC2=O	2356341848	YSQRFFYEEJPEGR-LLVKDONJSA-N	232.323	2.819	0	1	BFAF	
C[C@@H]1O[C@@]23C[C@H]1CC[C@]2(C)CCC[C@H]3CO	2356371234	XPOUZYSXHNCNEA-ZUWCUPBKSA-N	224.344	2.743	0	1	BFAF	
Cc1ccc(C)c(-n2cnc3ccc(O)nc32)c1	118270283	KBKPLFKDLKTYTR-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
CO[C@@H]1C=C[C@@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@]12O	2356365791	RVTBEMIQJSHHIE-XGCIFYDCSA-N	248.366	2.765	0	1	BFAF	
Cc1nc(N2CCCCC2)c2[nH]c(C)cc2n1	13834968	SQABYMMOHPZPCW-UHFFFAOYSA-N	230.315	2.565	0	1	BFAF	
CC[C@H]1Oc2c(O)cccc2C12CCN(C)CC2	29479095	LQACPCZDXSYESU-CYBMUJFWSA-N	247.338	2.527	0	1	BFAF	
CC(C)c1ccc(CN2CCCNC2=S)cc1	45315045	IOUGXVLSJCYVEA-UHFFFAOYSA-N	248.395	2.890	0	1	BFAF	
[O-][n+]1onc2ccc(/C=C/c3cccs3)cc21	66252598	UNOBNUGJUPDBCO-HWKANZROSA-N	244.275	2.693	0	1	BFAF	
O=c1cc(Cc2cccnc2)oc2ccccc12	653702466	ZOJRPINUUBMRNJ-UHFFFAOYSA-N	237.258	2.779	0	1	BFAF	
C/C(=C\c1nc(-c2ccccc2)cs1)C(N)=O	653741157	GXFOMSGEFVKPRG-VQHVLOKHSA-N	244.319	2.699	0	1	BFAF	
COc1cccc([C@@H](C)CCN(C)C)c1	1772599142	DDLANMHZUBIFMS-NSHDSACASA-N	207.317	2.750	0	1	BFAF	
Fc1cc(C2=NCCO2)ccc1C(F)(F)F	1772632774	HUSGHAKQCRNCES-UHFFFAOYSA-N	233.164	2.621	0	1	BFAF	
C[C@H]1c2c([nH]c3ccccc23)CC[C@H]1C(=O)O	366959	CLRAKOGNZHAAMR-RKDXNWHRSA-N	229.279	2.918	0	3	BFAF	
C[C@H]1c2c([nH]c3ccccc23)CC[C@@H]1C(=O)O	366964	CLRAKOGNZHAAMR-BDAKNGLRSA-N	229.279	2.918	0	3	BFAF	
NC1=N[C@@H](c2ccc(F)cc2)Cc2ccccc21	3959790	KWMGDJOVVNCHIR-CQSZACIVSA-N	240.281	2.828	0	1	BFAF	
COC1=CC(=O)O[C@H](/C=C/C2=CCCC=C2)C1	4097414	OMNGEVNATYFZGG-ABZNLYFFSA-N	232.279	2.665	0	1	BFAF	world
Cc1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[S@](=O)N2	13135536	SNZUAMJDPKNTCJ-VENUWKOOSA-N	247.363	2.966	0	1	BFAF	
CN1CCc2c(Cl)ccc3c2[C@H](CC3)C1	27713550	HSVQHQJUIUIWCQ-SNVBAGLBSA-N	221.731	2.858	0	1	BFAF	
CSc1nnnc2c1sc1nc(C)ccc12	29398202	VKLUMQAWLRGKNS-UHFFFAOYSA-N	248.336	2.665	0	1	BFAF	
Oc1cccc(/C=C/c2ccc(O)cc2O)c1	38392546	NAAOQSKJMNPWMU-SNAWJCMRSA-N	228.247	2.974	0	1	BFAF	
CC1=CC[C@@H]2[C@H]3[C@H](CC[C@H]2C)C(=O)O[C@H]13	85487932	VXAMURHMZFPMIP-GQCVWLSPSA-N	206.285	2.540	0	1	BFAF	biogenic,in-vitro
CCCCN[C@H]1[C@@H]2[C@H]3C[C@H]4[C@H]5C[C@@H]([C@@H]42)[C@]1(C)[C@@H]35	195371751	LRNABWCLYGWJSN-STJOZSDMSA-N	231.383	2.913	0	1	BFAF	
Cc1ccc(-c2nc3ccnc(O)c3[nH]2)c(F)c1	587146277	HELTWVOIIXQBRD-UHFFFAOYSA-N	243.241	2.778	0	1	BFAF	
Cc1[nH]c2cc(F)ccc2c1-n1cccn1	587635672	KXKMDQHBVFFEBL-UHFFFAOYSA-N	215.231	2.801	0	1	BFAF	
N=C1SCCCN1Cc1ccc(Cl)nc1	13798225	WTXOYJSHACXCAI-UHFFFAOYSA-N	241.747	2.609	0	1	BFAF	
Clc1ccc2c(n1)CC[C@H]1[C@H]3CC[C@@H](N3)[C@@H]21	140779820	YFIIBDQLLAQNAF-KDCCTQTISA-N	234.730	2.515	0	1	BFAF	
O=C1OCC(O)=C1c1cccc(C(F)(F)F)c1	148095765	IBXUFTQDUDRXSE-UHFFFAOYSA-N	244.168	2.531	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]1O	169312833	WIKOGZYEVQUKEV-RQVRSSQJSA-N	236.355	2.789	0	1	BFAF	
CCN(CC)[C@H](c1ccccc1)C1COCOC1	169322998	XWRXUSADUIWSPA-OAHLLOKOSA-N	249.354	2.690	0	1	BFAF	
N[C@H](N=O)C(c1ccccc1)c1ccccc1	957756792	PWELACGTUMMAFP-CQSZACIVSA-N	226.279	2.870	0	1	BFAF	
COc1cc(/C=C/C2CCCC2)oc(=O)c1	1772601345	QWHXCVAVFGVROO-VOTSOKGWSA-N	220.268	2.852	0	1	BFAF	
COc1cc2c(cc1OC)[C@H]1CCCN1C=C2	2356810641	AZXHNUOCOBOLST-GFCCVEGCSA-N	231.295	2.825	0	1	BFAF	
CN1[C@H]2CC[C@@H]1C[C@H]2c1ccc(Cl)nc1	13479025	HLNPMOXPJPCMLY-VWYCJHECSA-N	222.719	2.685	0	1	BFAF	
CN1C[C@]23Cc4ccc(O)cc4[C@](C)(CC[C@@H]12)C3	13755911	HUBOTCKKRXYMHW-BZUAXINKSA-N	243.350	2.690	0	1	BFAF	
CC1=C2C[C@]3(C)C(=C[C@@]2(O)OC1=O)CCC[C@@H]3C	14450180	VCKBXFCIXKWWAI-ULKVUYOBSA-N	248.322	2.705	0	1	BFAF	biogenic
Cc1c2c3c(ccc(C)c3oc1=O)[C@@H](C)CO2	14586763	XDQBVBQWEZQCBG-QMMMGPOBSA-N	230.263	2.906	0	1	BFAF	biogenic
CCCCCn1nc2oc(=O)cc(C)c2c1C	27624194	PYLYHYRCFUARSO-UHFFFAOYSA-N	234.299	2.797	0	1	BFAF	
CC1=C[C@@H]2Cc3nc4[nH]ncc4c(N)c3[C@@H](C1)C2	100093002	DAJQGVGIMGGYKT-IUCAKERBSA-N	240.310	2.536	0	1	BFAF	
CCNc1nc(NC(C)C)nc2ccccc12	169337302	FNATWVVIIJOXSH-UHFFFAOYSA-N	230.315	2.882	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H]2C1	257417378	FNMDHMSGEIODFP-CBBWQLFWSA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
COc1ccc(O)c(-c2cncn2C2CC2)c1	653845380	HZBDRDBPQHGBCU-UHFFFAOYSA-N	230.267	2.599	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H](C)[C@H]3[C@@H](O)OC[C@H]2[C@@H]13	2356756062	PMGGLXDFTHYNGV-NDZBRYDHSA-N	238.371	2.906	0	1	BFAF	
CCN1C(=O)c2cccnc2Nc2ccccc21	5843250	NJFAYUFRHYLWIF-UHFFFAOYSA-N	239.278	2.805	0	1	BFAF	
C[C@H]1SCCc2nc3ccccc3n21	13213626	CJAPKFLFKHWZOA-MRVPVSSYSA-N	204.298	2.844	0	1	BFAF	
Cc1cccc(-n2nncc2-c2ccncc2)c1	26159098	HLYJSQCAOWBNLX-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
O=C1c2ccccc2[C@H](O)[C@H]1c1ccccc1	28761160	BOFWHEVYJRKXQB-KGLIPLIRSA-N	224.259	2.700	0	1	BFAF	
C[C@]12N[C@H]([C@H]3CCCC[C@@H]31)[C@H](O)c1ccccc12	36011781	QUUVVNAADCNVJY-MXRKXNECSA-N	243.350	2.727	0	1	BFAF	
CCC[C@H](C)COC(=O)c1cccc(CO)c1	40829516	QEKHMMLKOXALKS-NSHDSACASA-N	236.311	2.772	0	1	BFAF	
C[C@H]1CC[C@]2(C)C(=CCC[C@H]2O)C=C1C(=O)O	72320440	MZLPVRHRFDXNNU-MRCXROJRSA-N	236.311	2.515	0	1	BFAF	
CC(C)CCC(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C	238772421	UWZOLNFVSNGDOA-ITGUQSILSA-N	239.359	2.591	0	1	BFAF	
COC(=O)CC=C1c2ccccc2[C@H](OC)[C@@H]1C	1857623107	BAHWNFBCNAWEMW-MEBBXXQBSA-N	246.306	2.970	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](CO)[C@H]2C[C@H]1O	2356323807	OAOAEDGPQMILBW-XLWJZTARSA-N	238.371	2.604	0	1	BFAF	
O=C1C=CC[C@@H]2[C@@H]3CCC[C@@H]4CCC[C@@H](CN12)[C@@H]43	2356573281	IGXQFUGORDJEST-GRYWWWGRSA-N	245.366	2.990	0	1	BFAF	
CC1=CO[C@H](c2ccccc2)[C@@H](C)[C@@H]1O	27179558	ZCZKWXJIPYYHIU-UHTWSYAYSA-N	204.269	2.659	0	1	BFAF	
CCN1CCc2cccc3c2[C@@H](CCC3)C1	27711261	RFWMNHZVQCPFAH-AWEZNQCLSA-N	215.340	2.985	0	1	BFAF	
COc1ccccc1C1=NO[C@H]2CCCC[C@@H]12	95580611	JETSYCZGLULXST-YPMHNXCESA-N	231.295	2.988	0	1	BFAF	
C[C@H](/C=C/c1ccc2c(c1)OCO2)N=O	169722626	MBWVJRUNXSZBCS-UFUPEUMYSA-N	205.213	2.583	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21[C@H](O)C[C@@]3(C)O	238744501	SWFQSMGZEMSQMJ-JCJKHTMNSA-N	238.371	2.581	0	1	BFAF	
CC[C@H](O)c1nc2cc(Cl)c(F)c(F)c2[nH]1	586901767	ZRZHAKJHBSKXAI-LURJTMIESA-N	246.644	2.938	0	1	BFAF	
CC[C@H](C)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446435	WUATVEADBMHNOO-AVZKPZGTSA-N	246.306	2.857	0	1	BFAF	
CCC[C@@H](c1nc2cnnc(O)c2[nH]1)C(C)C	587954710	BDRSXVNEGBIBQK-MRVPVSSYSA-N	234.303	2.598	0	1	BFAF	
C/C(=C\c1cc(-c2ccccc2)co1)C(N)=O	653740637	ITDJSEUEYLKOSS-JXMROGBWSA-N	227.263	2.835	0	1	BFAF	
CCCc1ccncc1-c1ccc(CN)o1	1857537974	KRLAVZKZJIVVOU-UHFFFAOYSA-N	216.284	2.753	0	1	BFAF	
CC(CO)=C1C[C@@H]2CC(C)(C)C[C@H](O)C[C@@]12C	2356434307	LXJRMEUBHWOKPH-TYNCELHUSA-N	238.371	2.892	0	1	BFAF	
C[C@@]12CCCC(=O)[C@H]1[C@]1(C)CC[C@H]2C(=O)C1	105184000	UEPGLNMUFRMDAW-WTDIUWLJSA-N	220.312	2.751	0	3	BFAF	
COc1c2c(c(OC)c3ccccc13)OCO2	14612261	TYUZNCUSMBTHNZ-UHFFFAOYSA-N	232.235	2.586	0	1	BFAF	biogenic
C[C@@H]1CCCC[C@@H]1n1cnc2ccc(O)nc21	118263815	MEHLUSUYFBXKDG-KOLCDFICSA-N	231.299	2.888	0	1	BFAF	
C[C@H]1CCC[C@@]2(C)CC=C([C@@](C)(O)CO)C[C@H]12	238739425	RDBMSERFRDSITF-ATGSNQNLSA-N	238.371	2.892	0	1	BFAF	
Nc1ccc(/C=C\c2nc3cnccc3[nH]2)cc1	587251714	LZROBAQYZUPEIJ-UTCJRWHESA-N	236.278	2.711	0	1	BFAF	
C/C=C/c1cccc2nc(OCC)oc(=O)c12	27547260	ZJICXJVSOKTMJJ-ZZXKWVIFSA-N	231.251	2.620	0	1	BFAF	
CCCN1CC[C@H](c2cccc(OC)c2)C1	29246661	FWJGHQRTPNUZIV-ZDUSSCGKSA-N	219.328	2.895	0	1	BFAF	
CCCNCCc1c[nH]c2ccc(F)cc12	66252278	PMEDGACUJJCVSG-UHFFFAOYSA-N	220.291	2.849	0	1	BFAF	
C/C(CO)=C1/CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]13	257561798	VCKNBYBUMOAFMV-GTMLZNCESA-N	236.355	2.502	0	1	BFAF	endogenous,in-man
CC(C)(O)[C@@H]1CC[C@]2(C)C=CC[C@@](C)(O)[C@@H]2C1	2356656675	XLMZJOLBMYRLCZ-RJZRQDKASA-N	238.371	2.891	0	1	BFAF	
COc1ccc2[nH]cc([C@@H]3CCN(C)C3)c2c1	13801318	ISLZNKXLIRVSJS-SNVBAGLBSA-N	230.311	2.596	0	1	BFAF	
COc1cc(O)c(C(=O)C(C)C)c(OC)c1C	14593834	YIQOFYKWUSYQAJ-UHFFFAOYSA-N	238.283	2.557	0	1	BFAF	biogenic
CCN(Cc1cnc[nH]1)c1cc(F)cc(F)c1	96177550	LMJXHSZVMYNLIW-UHFFFAOYSA-N	237.253	2.714	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1[C@H]1C[C@@]1(C)[C@@H](O)CC[C@]2(C)O	100780698	USFOCJBPTUMHRF-HAJOPNNUSA-N	238.371	2.581	0	1	BFAF	endogenous,in-man
C[C@@H]1CCC[C@@H]2C[C@@H]3OCC4=C3[C@H](OC4)[C@@]12C	2356616878	JNYRITJWRVKNCG-FWTMIXAASA-N	234.339	2.927	0	1	BFAF	
CCCCC[C@H](O)C=CC(OCC)OCC	2356625425	MHUXURLVOJXADV-LBPRGKRZSA-N	230.348	2.883	0	1	BFAF	
Cc1cccc(N[CH]c2ccccc2C(=O)O)n1	2356821017	KBCOEWCOUOOYSQ-UHFFFAOYSA-N	241.270	2.710	0	1	BFAF	
CC(C)c1ccccc1O[C@@H](C)C1=NCCN1	13805982	DAEHQHNTEAMXQC-NSHDSACASA-N	232.327	2.579	0	1	BFAF	
c1c[nH]c(-c2ccc3c(c2)[C@H]2CNC[C@@H]3C2)c1	28527657	IVLQQMFRRZESBS-NWDGAFQWSA-N	224.307	2.856	0	1	BFAF	
CCN(CC)[C@H]1Cc2ccc(OC)c(OC)c2C1	29225547	ZCPJBDBWYJIAEQ-LBPRGKRZSA-N	249.354	2.513	0	1	BFAF	
CC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@@H]1N2C	169364190	IXBQQRJVGUUKAO-FZKCQIBNSA-N	243.350	2.842	0	1	BFAF	
COc1ccc([C@@H](C)O)cc1C(=O)CC(C)C	238765313	YHYRBUCCRJARNJ-SNVBAGLBSA-N	236.311	2.977	0	1	BFAF	
O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5	587215779	UXLDTFDHYYMEDC-GXFFZTMASA-N	249.313	2.952	0	1	BFAF	
Cc1ccccc1C(=O)Oc1ccc(O)cc1	1613640	BOONETDXYXMSMD-UHFFFAOYSA-N	228.247	2.920	0	1	BFAF	
O[C@]12CCC[C@H](C1)SC(c1ccccc1)=N2	6579171	MXTATNQMWUVGBS-DGCLKSJQSA-N	233.336	2.811	0	1	BFAF	
CCN1CCc2cc3ccccc3n2CC1	13535375	IVJKWFBLKKLOKL-UHFFFAOYSA-N	214.312	2.519	0	1	BFAF	
c1nc(CCCCCNC2CCCC2)c[nH]1	13685897	ZHNRRDSCSQZYAU-UHFFFAOYSA-N	221.348	2.655	0	1	BFAF	
CC1=C2CC(C)(C)[C@H](O)[C@@H]2C[C@@]2(C)CC[C@@]12O	14715738	SDDDDLJOCMWSOQ-QHSBEEBCSA-N	236.355	2.645	0	1	BFAF	biogenic
COc1cc2ccccc2c2c1C[C@H](N)CC2	26165310	QLIIOZINQKDPNC-LLVKDONJSA-N	227.307	2.664	0	1	BFAF	
CN[C@]1(C)CC12C1CC3CC(C1)CC2C3	72190048	LMLBGVHUFCZMCI-RVARXAPGSA-N	205.345	2.811	0	1	BFAF	in-vivo
Nc1cccc2c(=O)[nH]c(-c3ccccc3)cc12	96282484	RGSDXZQBZQATQJ-UHFFFAOYSA-N	236.274	2.777	0	1	BFAF	in-vitro
CC[C@]1(C)C[C@@H]1c1nc2ccc(CO)cc2[nH]1	586890827	PKDGNOQSWOSXLK-QMTHXVAHSA-N	230.311	2.959	0	1	BFAF	
O=C1OCC/C1=C\c1ccc2ncsc2c1	653727981	FMOOGIYSVBVFIT-WEVVVXLNSA-N	231.276	2.627	0	1	BFAF	
O=C(C1CCC1)N1N=CC[C@@H]1c1ccccc1	1857535263	BULOQKINPKUMDS-CYBMUJFWSA-N	228.295	2.746	0	1	BFAF	
CCc1c(O)nc2ccc(F)cc2c1OC(C)=O	1857751603	BWBQEILFEWEIPJ-UHFFFAOYSA-N	249.241	2.567	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@H](O)[C@@]2(C)[C@H]1C3	2356466410	FIVPPSZIBGBQNB-ABBQYLIMSA-N	238.371	2.581	0	1	BFAF	
CC(C)[C@H]1CC[C@H]2O[C@@]3(C)CC[C@H]2[C@H]3[C@H]1O	2356760285	VCHKQGGIARQOQS-TVQXOTEMSA-N	224.344	2.597	0	1	BFAF	
CSc1nnc2n1-c1ccccc1SCC2	1634560	KINGPNKWXBFFNY-UHFFFAOYSA-N	249.364	2.637	0	1	BFAF	
Cc1ccc(C(C)C)c2c1[C@@H](O)[C@H](O)[C@H](C)C2	13381498	OEBHZESREHLVQJ-VCTAVGKDSA-N	234.339	2.705	0	1	BFAF	
CCCCc1noc(C2=CCCN(CC)C2)n1	13820187	OQMXEDWAPMFRMV-UHFFFAOYSA-N	235.331	2.521	0	1	BFAF	
COc1cc2ccccc2c2c1C[C@@H](N)CC2	26165315	QLIIOZINQKDPNC-NSHDSACASA-N	227.307	2.664	0	1	BFAF	
C[C@@]1(N2CCCCC2)c2ccccc2CC[C@@H]1O	28767737	RKIZBVCWHHPLCS-JKSUJKDBSA-N	245.366	2.695	0	1	BFAF	
CCCN[C@H]1CCc2c(OC)ccc(OC)c2C1	29213334	PSNOMAGNYXMJBT-NSHDSACASA-N	249.354	2.561	0	1	BFAF	
COc1ccc2c(c1)CCC[C@H]2OC(C)=O	34079585	RRRLBOAFPIYXRF-CYBMUJFWSA-N	220.268	2.636	0	1	BFAF	
Cc1noc(C)c1[C@H]1CN(C)Cc2ccccc21	473220515	IEHDEVXKWOALDJ-AWEZNQCLSA-N	242.322	2.869	0	1	BFAF	
CC(C)(C)[C@H](N)c1nc2ccc(Cl)nc2[nH]1	587257791	NALRWJBFQSEEPL-MRVPVSSYSA-N	238.722	2.657	0	1	BFAF	
CC(C)Cn1c(O)c(N)c2ccccc21	957968165	BOMKSKIZNYPMHT-UHFFFAOYSA-N	204.273	2.585	0	1	BFAF	
CCCCCC(=O)c1c(O)cc(OC)cc1O	14817870	XQQUKAGHLDAJGO-UHFFFAOYSA-N	238.283	2.869	0	1	BFAF	biogenic
Cc1cc2nnc(-c3ccc(F)cc3)n2c(C)n1	42921850	IKJWLCGNPRMTLZ-UHFFFAOYSA-N	242.257	2.547	0	1	BFAF	
CC(C)C(=O)Nc1ccccc1OC(=O)C(C)C	199086202	RQIQCGXODZVPON-UHFFFAOYSA-N	249.310	2.843	0	1	BFAF	
C[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@@H](CO)CC[C@H]13	238758080	ABYYDYWFVSHNAX-BGPZULBFSA-N	238.371	2.989	0	1	BFAF	
CC1(C)C[C@@H]2[C@H](CC[C@]2(C)O)[C@@]2(C)C[C@H]2[C@@H]1O	238770601	BFAVGMXYYRUDRR-XUGXRQAHSA-N	238.371	2.581	0	1	BFAF	
COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1	5452	MKEGUJPBCIXABO-LBPRGKRZSA-N	244.338	2.813	0	1	BFAF	
CC1(C)C[C@@]23C(=O)CC[C@H](O)[C@]2(C)CC[C@@H]13	13298581	UHRWOVVMQAASAO-TXFQPVFDSA-N	222.328	2.543	0	1	BFAF	
CC(C)=CCOc1c(O)ccc2ccc(=O)oc12	13481607	RXAAPTWRRVWOCA-UHFFFAOYSA-N	246.262	2.844	0	1	BFAF	biogenic
CC(=O)OCCCCCCC/C=C/C(=O)O	14447638	GUZMIGKKNGIWRT-VQHVLOKHSA-N	228.288	2.531	0	1	BFAF	
C[C@@H]1C(=O)C=C[C@]2(C)CC[C@@H]3C(=C12)OC(=O)[C@H]3C	14619374	UJAUGIJBYGGHNV-OFYUCFFLSA-N	246.306	2.625	0	1	BFAF	biogenic
COc1ccc2[nH]c3c(c2c1)C[C@@H](N(C)C)CC3	26964499	KOGRUJJHBIUTRH-JTQLQIEISA-N	244.338	2.595	0	1	BFAF	
C[C@H]1C[C@]2(C)C[C@@H](Cc3ccccc32)N1C	29477297	UUIHLUKORNVGJW-NJZAAPMLSA-N	215.340	2.983	0	1	BFAF	
CCc1nc2cc3cn[nH]c3cc2nc1CC	64448526	HARAYTBEHWJNOR-UHFFFAOYSA-N	226.283	2.631	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@@H](O)[C@@H]31	102486395	VWMGBHVRRNKOAE-XGTBMDPHSA-N	238.371	2.581	0	1	BFAF	
COC(=O)c1ccc(O)c(OCC=C(C)C)c1	138833954	WCSWEIGUCUJIQI-UHFFFAOYSA-N	236.267	2.524	0	1	BFAF	
C[C@H]1c2cc(CC(=O)O)cc(Cl)c2O[C@@H]1C	169345386	SCZDGNHGDDSKQC-RNFRBKRXSA-N	240.686	2.852	0	1	BFAF	
CNc1ncnc2[nH]cc(-c3cccc(C#N)c3)c12	210720496	KUPZVVVTRUKMHE-UHFFFAOYSA-N	249.277	2.538	0	1	BFAF	
Oc1nccc2nc(-c3ccoc3C3CC3)[nH]c12	586901590	NYOGGRTVDKUYCI-UHFFFAOYSA-N	241.250	2.801	0	1	BFAF	
N[C@@H](c1ccsc1)c1nc2cccc(F)c2[nH]1	587024936	HCDXWBZFVSXVOH-JTQLQIEISA-N	247.298	2.812	0	1	BFAF	
Cc1ncsc1CCc1nc2cccnc2[nH]1	587028117	OJCTUWIXKARBIF-UHFFFAOYSA-N	244.323	2.508	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1[C@H](O)C[C@]1(C)CCC[C@@]2(O)C1	2356340177	IWQJLGOXTOKUGR-MYYUVRNCSA-N	238.371	2.725	0	1	BFAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H]3CO[C@H](O)[C@@H]([C@H]13)[C@H]2C	2356756063	PMGGLXDFTHYNGV-SGASCXMQSA-N	238.371	2.906	0	1	BFAF	
Cc1cccc2c1NC(=O)c1cccnc1N2	5931323	GXHCCZBZTJWGDT-UHFFFAOYSA-N	225.251	2.699	0	1	BFAF	
c1ccc(Cn2cnc(-c3cccnc3)c2)cc1	13607172	CWPOROUIZKNJHY-UHFFFAOYSA-N	235.290	2.993	0	1	BFAF	
C[C@@]1(C[C@@H]2CN=CN2)CCc2ccccc2C1	13862144	FSAVOJFESJPQEK-HUUCEWRRSA-N	228.339	2.572	0	1	BFAF	
CC1=C(C(=O)O)C(=O)[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@]132	14509424	GVYNVUXBKXMTRQ-VFTLWLRUSA-N	248.322	2.803	0	1	BFAF	biogenic
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@@H]2C[C@H]1O	14918483	DGZPYTSARMEKSO-AHDPXTMNSA-N	238.371	2.747	0	1	BFAF	
CCCCC[C@@H]1CCC[C@@H]2CC(=O)OCCN12	14919311	RUEUOZBKUCFMFL-CHWSQXEVSA-N	239.359	2.737	0	1	BFAF	biogenic
COc1ccc2c3c1CCN(C)C[C@H]3CCC2	27726641	VYZKHVKGWWRBAL-GFCCVEGCSA-N	231.339	2.603	0	1	BFAF	
COc1cc(C(F)(F)F)cc2[nH]ccc(=O)c12	27875686	JRADSHVWXIAYQQ-UHFFFAOYSA-N	243.184	2.556	0	1	BFAF	
Fc1ccc2c(c1)CC[C@H]1[C@@H]2N=C2SCCN21	28770745	HDQBMBJLYOGRAR-NWDGAFQWSA-N	248.326	2.600	0	1	BFAF	
FC(F)(F)c1nnc(Nc2ccccc2)o1	35076136	KTTDHQRWHMAKOH-UHFFFAOYSA-N	229.161	2.832	0	1	BFAF	
CC1=CC[C@@H](C)O[C@]2(C1)C(=O)Nc1ccccc12	66136599	LWPFZBGVRKZALW-ABAIWWIYSA-N	243.306	2.979	0	1	BFAF	
CCCCNc1cc2ccccc2n(C)c1=O	84620007	PIHHOSKILDWTPJ-UHFFFAOYSA-N	230.311	2.751	0	1	BFAF	
CCC(CC)c1cc(OC(=O)N(C)C)no1	299861223	HXAHKDNCBVIKII-UHFFFAOYSA-N	226.276	2.639	0	1	BFAF	
C[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)N(C)C	587190277	GYYNTRAYTWBKQI-QMMMGPOBSA-N	237.734	2.709	0	1	BFAF	
CC1=CC[C@@]23C[C@H]1C[C@](C)(O)[C@@H]2[C@@H](O)C[C@H]3C	2356718910	KCUAHALVFZQCSG-UMBPPFEGSA-N	236.355	2.501	0	1	BFAF	
CC1=CC(=O)[C@@H]2[C@@H](CC1)C(C)=CC[C@@]2(C)C(=O)O	14709699	DCINKRWBIUZLJK-CORIIIEPSA-N	248.322	2.969	0	1	BFAF	biogenic
CCC[n+]1cccc2c1CC[C@H]1[C@@H](O)CCC[C@H]21	26271193	QVONKCBUMIKHBA-XPKDYRNWSA-N	246.374	2.575	0	1	BFAF	
C[C@H]1CN(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)C2	253710529	WRTHKCNGTIHYHI-WBIUFABUSA-N	231.339	2.546	0	1	BFAF	
CC1(C)CCC[C@](C)(O)[C@@H]2CCC(CO)=C[C@H]21	2356652809	QRYPQTUSGXZGNH-NFAWXSAZSA-N	238.371	2.892	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](C(=O)O)CC(=O)C[C@H]12	2356831576	JQOPEEXVTUOURL-MISXGVKJSA-N	238.327	2.883	0	1	BFAF	
CC(C)(C(=O)O)c1c[nH]c2c(F)cc(F)cc12	103197844	HEXZERJMHSJOKB-UHFFFAOYSA-N	239.221	2.808	0	1	BFAF	
CCSC(=O)c1cc(OC)cc(OC)c1	103212965	GPYQSKZHIXQBMV-UHFFFAOYSA-N	226.297	2.597	0	1	BFAF	
CCCC(=O)c1cnn([C@H]2CC[C@H](N)CC2)c1C	299829686	KZYMKRMSJIRNLG-HAQNSBGRSA-N	249.358	2.617	0	1	BFAF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C)nc2[nH]1	586913759	SGSVZYGJNHAIQZ-JQWIXIFHSA-N	245.326	2.939	0	1	BFAF	
CC1=C2C[C@](C)(CO)C[C@@H]2[C@H](C)CC[C@H]1CO	2356773935	MUCSQDHAVMOROR-CQROYNQRSA-N	238.371	2.750	0	1	BFAF	
Cc1ccc(Cc2c(C)nc(C)[nH]c2=O)c(C)c1	5044875	TWRCABJOQANJPQ-UHFFFAOYSA-N	242.322	2.594	0	1	BFAF	
CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21	13826411	GNIVTAIHBFVOJN-UKRRQHHQSA-N	245.366	2.981	0	1	BFAF	
CCN(CC)[C@@H]1Cc2ccc(OC)c(OC)c2C1	29225541	ZCPJBDBWYJIAEQ-GFCCVEGCSA-N	249.354	2.513	0	1	BFAF	
CC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1	35090556	IYNBYQDXVFMDGE-ZIAGYGMSSA-N	217.312	2.501	0	1	BFAF	in-vivo
Oc1cccc(-c2cncc(-c3cccnc3)n2)c1	45367989	FOFYXZFDRJCQRL-UHFFFAOYSA-N	249.273	2.911	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@H]2[C@](C)(C[C@H]1O)C[C@@H]1C[C@]21C	73298308	QRDWGAFJTAQHKE-ACBLYQCWSA-N	238.371	2.581	0	1	BFAF	
CC(C)CC1=NNC(=O)[C@@H]1Sc1ccccc1	101879276	QSTWDOHWCRILQE-GFCCVEGCSA-N	248.351	2.679	0	1	BFAF	
CC1=CCC2=C(C)C[C@@H]3OC(=O)C=C3C[C@@H]12	238739911	AKXVCCDILASKIZ-STQMWFEESA-N	216.280	2.915	0	1	BFAF	
CC(C)[C@]1(O)CC[C@@H](C)[C@@H]2CCC(CO)=C[C@H]21	238748149	LJOBBESYNHPUGI-FAAHXZRKSA-N	238.371	2.748	0	1	BFAF	
CCC(=O)CC[C@H]1CC[C@H](C(=O)OC)CC1	238750590	GHZNRTXUTGFTAC-PHIMTYICSA-N	226.316	2.725	0	1	BFAF	
C[C@H]1CC[C@H]2[C@H]1C[C@H]1CC[C@]2(C)O[C@@]1(C)CO	238766675	FXNFQZVVVKRJEG-IWTMDLJTSA-N	238.371	2.989	0	1	BFAF	
Fc1cnc(Cl)c2[nH]c(CC3CC3)nc12	587959265	MDPCBFRZMOMHJK-UHFFFAOYSA-N	225.654	2.703	0	1	BFAF	
C[C@@H]1CC(=O)c2c(cc3ccccc3c2O)O1	1772647214	QEPJAUUBXXHCLO-MRVPVSSYSA-N	228.247	2.899	0	1	BFAF	
Cc1c(-c2ccccc2)ccc2c1CCNC2=O	1857595519	ZZFIVVAQPLYJOE-UHFFFAOYSA-N	237.302	2.948	0	1	BFAF	
Oc1noc2c1C1C[C@@H]3CC2C[C@@H](C1)C3	1857654537	KEINNTVAKNHZOH-PZYMCFGQSA-N	205.257	2.771	0	1	BFAF	
CC1=C(N)N(Cc2ccccc2C)[CH]C=C1	2356813593	FSXSPPVYMXWEKK-UHFFFAOYSA-N	213.304	2.719	0	1	BFAF	
Cc1cccc2nc(C(F)(F)F)oc(=O)c12	13528148	NMGDXCBZTVNKBJ-UHFFFAOYSA-N	229.157	2.515	0	1	BFAF	
COC(=O)C1=C(c2ccc(C(C)=O)cc2)CCC1	28714359	LGPCFMYKDFHTOT-UHFFFAOYSA-N	244.290	3.000	0	1	BFAF	
CC1(C)C=Cc2c(cc(O)c3oc(=O)ccc23)O1	95910133	WWIADKJQMICWCE-UHFFFAOYSA-N	244.246	2.683	0	1	BFAF	biogenic,in-vitro
CN1C=CN(COC2CCCCC2)/C1=C\N=O	136851698	KBVAQVFKLSOLAQ-XFXZXTDPSA-N	237.303	2.577	0	1	BFAF	
Oc1cc2c(cc1Cl)C[C@@H]1CCCN[C@H]21	299832894	XHDNAIUOGWZVTP-MADCSZMMSA-N	223.703	2.642	0	1	BFAF	
Cn1cc(Cc2cc3c4c(cccc4n2)CC3)cn1	587210741	GEDAYFVEKCAQOR-UHFFFAOYSA-N	249.317	2.658	0	1	BFAF	
Cc1cc(-c2ccccc2)c2c(O)n[nH]c2n1	343693	UXATUFBQXDNQDH-UHFFFAOYSA-N	225.251	2.639	0	3	BFAF	
CCn1cc(C2=NC[C@@H](C)O2)c2ccccc21	3029686	GQWYLTGFQWRGBL-SNVBAGLBSA-N	228.295	2.827	0	3	BFAF	
Cc1oc2nc(N(C)C)nc(Cl)c2c1C	1650416	XFJDQRNARUDJLO-UHFFFAOYSA-N	225.679	2.559	0	1	BFAF	
CC(=O)Nc1ncc(SCC(C)C)s1	13490958	GVNMXZVKIFCTPL-UHFFFAOYSA-N	230.358	2.850	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C3=C(CC(=O)[C@H]12)C(=O)OC3	14449301	UIFPOMHZPDKLLM-DOMZBBRYSA-N	248.322	2.645	0	1	BFAF	biogenic
CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC(=O)[C@@]2(C)CCC1	14452292	FQTNFDVQCCTDIM-UOJCWERNSA-N	248.322	2.644	0	1	BFAF	
Cc1ccc2c(c1)O[C@@]1(C)[C@@](C)(O)CC[C@@]21C	14854566	UUTNFVHOXZVUMX-SOUVJXGZSA-N	232.323	2.949	0	1	BFAF	
Cc1nonc1-c1nc2ccccc2s1	40866990	SVULFRORVOSVQX-UHFFFAOYSA-N	217.253	2.655	0	1	BFAF	
Cc1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1	587025640	PFIMAAOQZFXCOV-GFCCVEGCSA-N	243.335	2.981	0	1	BFAF	
c1cc2c3c(cc([C@@H]4CCCN4)nc3c1)CC2	587212831	VWENNBHKEHXYHM-LBPRGKRZSA-N	224.307	2.758	0	1	BFAF	
Cc1ccnc2c1CCN[C@@]21C=C(Cl)CC1	963072809	ODPYFMGULFCBLB-ZDUSSCGKSA-N	234.730	2.648	0	1	BFAF	
CC(C)Cc1nncn1Cc1ccccc1	1857559434	IUFIJMIBDNSFIH-UHFFFAOYSA-N	215.300	2.525	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1C[C@H](O)[C@@]1(C)CCC[C@@]2(O)C1	2356415217	DLQCYNDJQGMHRX-CUZKYEQNSA-N	238.371	2.725	0	1	BFAF	
CCCCCC[C@H]([C@@H](C)O)n1ccnc1	3814301	NEUJWNIPOOBBPG-VXGBXAGGSA-N	210.321	2.775	0	1	BFAF	
CCO[C@@H]1NC(=O)Oc2cc3ccccc3cc21	5840324	RKAJAMTWZXNAJC-ZDUSSCGKSA-N	243.262	2.977	0	1	BFAF	
Oc1cccc([C@@H]2COc3cc(O)ccc3C2)c1	6092478	BMWNMQFETMHGID-LBPRGKRZSA-N	242.274	2.817	0	1	BFAF	biogenic
c1ccc(-c2ccno2)c(OCc2c[nH]cn2)c1	13860599	SZASDYKMOXPMCV-UHFFFAOYSA-N	241.250	2.644	0	1	BFAF	
COc1cc(C)oc(=O)c1-c1ccccc1	26641413	QWCGWPBKJDCSGH-UHFFFAOYSA-N	216.236	2.624	0	1	BFAF	
CCN1CCc2cccc3c2[C@H](CCC3)C1	27711265	RFWMNHZVQCPFAH-CQSZACIVSA-N	215.340	2.985	0	1	BFAF	
O=S1C=C(N2CCCCC2)c2ccccc21	34822059	VJMTVDSAEXZNLY-UHFFFAOYSA-N	233.336	2.592	0	1	BFAF	
CCCn1cnc2cc3c(cc21)[C@@H]1CNC[C@@H]3C1	101032572	WBYFNWHZLPPQST-QWRGUYRKSA-N	241.338	2.620	0	1	BFAF	
COc1cc2c(cc1OC)[C@H](N(C)C)C(C)=C2	169318020	JHGCVNLHWVXBIZ-CQSZACIVSA-N	233.311	2.723	0	1	BFAF	
c1ccc(-c2nc3cnc4ccccc4n3n2)cc1	299821940	COQJCZSSQVFNRJ-UHFFFAOYSA-N	246.273	2.945	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2ccc(Cl)cc2[nH]1	586917995	ZECLEBLVHDPWPE-SSDLBLMSSA-N	208.648	2.676	0	1	BFAF	
O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5	587215784	UXLDTFDHYYMEDC-ZWNOBZJWSA-N	249.313	2.952	0	1	BFAF	
Oc1ccc(-c2nncn2-c2ccccc2)cc1	13126432	NLPCXGNYSQCLOF-UHFFFAOYSA-N	237.262	2.640	0	1	BFAF	
COc1cc2c(c3ccccc13)CCC(=O)O2	13560929	NAPYBKPEYOLTNK-UHFFFAOYSA-N	228.247	2.700	0	1	BFAF	
CN[C@@]12CCCC[C@@H]1CC(=O)c1ccccc12	29571796	VBXDXDDQEIUQGX-ABAIWWIYSA-N	229.323	2.878	0	1	BFAF	
Clc1cncc(C2=C[C@H]3CNC[C@H](C2)C3)c1	101576982	PQBYYZBQJKBZMS-UWVGGRQHSA-N	234.730	2.748	0	1	BFAF	
Cc1cc(F)c2[nH]c([C@@](C)(O)C(C)C)nc2c1	586891129	STZJJWJJBNIDOZ-ZDUSSCGKSA-N	236.290	2.874	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C=C[C@@]3(C)OCCC(=O)[C@H]23)C1	2356324559	RMXWBAZVHFTPRY-MYYUVRNCSA-N	234.339	2.973	0	1	BFAF	
CC1=CCC[C@H](C)C(=O)CC2=C(C)C(=O)N[C@H]2C1	2356374083	MZVOQYNJEAKDJD-GWCFXTLKSA-N	247.338	2.527	0	1	BFAF	
C[C@H](O)CC[C@@H](C)C=C1C=C[C@H]2CCCN2C1	2356544742	AYXNBUOZKHOIPL-VNHYZAJKSA-N	235.371	2.744	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@@](O)(CO)[C@@H]1C2	2356579259	WEZSMISXBFOGRL-GBJTYRQASA-N	238.371	2.892	0	1	BFAF	
O=c1ccc2c(-c3ccc(F)cc3)nccc2[nH]1	13731314	CVXFNDOAPZULEK-UHFFFAOYSA-N	240.237	2.729	0	1	BFAF	
CN(C)[C@H]1CCc2[nH]c3ccc(F)cc3c2C1	39214020	MYSBSINOEPDQMP-JTQLQIEISA-N	232.302	2.726	0	1	BFAF	
COc1ccc(/C=C/[C@H]2CC=CC(=O)O2)cc1	84708906	OQUNGMASRRVTIG-UTSBKAFOSA-N	230.263	2.580	0	1	BFAF	
Fc1ccccc1-n1nnc2cc(Cl)cnc21	169321749	DMHXPZWNZGLPGE-UHFFFAOYSA-N	248.648	2.608	0	1	BFAF	
COC(/C=C\C=C/c1ccccc1)=C/C(=O)O	223738491	UEXUYEGMVWZTNW-FJLRYUAWSA-N	230.263	2.871	0	1	BFAF	
Cc1cncc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c12	586917888	XUXLOLWQKGEBEU-KWQFWETISA-N	231.299	2.754	0	1	BFAF	
N[C@@H]1[C@H]2Cc3cc(-c4ccccc4)ccc3[C@H]21	1857536793	BKDNKKSJJGMOLF-ARFHVFGLSA-N	221.303	2.950	0	1	BFAF	
CC1(C)CN=C(c2ccc3ccccc3c2O)N1	1861991	OBZPVHMPXUURJN-UHFFFAOYSA-N	240.306	2.674	0	1	BFAF	
COc1cccc(-c2cc3nccnc3[nH]2)c1	13492946	MFDLPDIVXMMWSI-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
CC1=C[C@@H](O)CC(C)(C)[C@H]1CC[C@@H](C)O	14587641	QKABGCVKXNSYJM-UTUOFQBUSA-N	212.333	2.501	0	1	BFAF	
Oc1cc2c(cc1Sc1ccncc1)OCC2	25976166	PEURVWNJXMRRHV-UHFFFAOYSA-N	245.303	2.873	0	1	BFAF	
CSCC(C)(C)c1nc2ccc(C)nc2[nH]1	586969798	YOZAJNDIKNOZCO-UHFFFAOYSA-N	235.356	2.907	0	1	BFAF	
CC(C)[C@@H](c1nc2cccc(F)c2[nH]1)N(C)C	587198998	URXYHHMOHKGRKD-LBPRGKRZSA-N	235.306	2.961	0	1	BFAF	
COc1cc(O)c2c(c1C(C)=O)OC(C)(C)C=C2	1857751474	QWDBLAFTHZKKSX-UHFFFAOYSA-N	248.278	2.788	0	1	BFAF	
Cc1c(O)cc(O)c2c1[C@H](C)[C@@H](C)CC2=O	2356528119	QRGKYMHXCFTJJI-NKWVEPMBSA-N	220.268	2.732	0	1	BFAF	
COC1=CC(=O)O[C@H](c2cccc(Cl)c2)C1	39642752	LHTQFBMXTJCJCX-NSHDSACASA-N	238.670	2.858	0	3	BFAF	
c1ccc2c(c1)-c1ccccc1C2Cc1nnn[nH]1	13735069	GLRQSOKWHSQWBA-UHFFFAOYSA-N	248.289	2.555	0	1	BFAF	
CSCC(C)(C)c1nc2cnccc2[nH]1	586968353	CIMJNCDBJJXVDX-UHFFFAOYSA-N	221.329	2.599	0	1	BFAF	
CC(=O)NC(C)(C)c1c(C)[nH]c2cccc(F)c12	587635036	GJGPANDKYTUKGJ-UHFFFAOYSA-N	248.301	2.987	0	1	BFAF	
Cc1c2c3c(ccc(C)c3oc1=O)[C@H](C)CO2	14586761	XDQBVBQWEZQCBG-MRVPVSSYSA-N	230.263	2.906	0	1	BFAF	biogenic,in-vitro
CCC[C@H](C)c1oc(=O)cc(OC)c1C	14658876	DCIVCXJJSXPMID-QMMMGPOBSA-N	210.273	2.860	0	1	BFAF	biogenic
CC1=CCOc2c1c(=O)oc1cccc(C)c21	14823606	NVVIMDIUKCPJBI-UHFFFAOYSA-N	228.247	2.897	0	1	BFAF	biogenic
CCCN1CCC=C2c3ccccc3OC[C@@H]21	27849151	RJOQHKDARNLTBC-AWEZNQCLSA-N	229.323	2.947	0	1	BFAF	
COc1ccc2c(c1)[nH]c1c(O)cc(C=O)cc12	66113219	KVGOXKTZYBQADZ-UHFFFAOYSA-N	241.246	2.848	0	1	BFAF	
Cc1cnc2[nH]nc(N)c2c1-c1ccccc1	299822531	AFZSLQHJZTZVIJ-UHFFFAOYSA-N	224.267	2.516	0	1	BFAF	
Cc1c(F)ccc2nc([C@@H](N)C(C)C)[nH]c12	587258748	JXJIIBYFJLSTPM-JTQLQIEISA-N	221.279	2.666	0	1	BFAF	
O[C@H]1CCCc2[nH]c(=Nc3ccccc3)sc21	1857773529	ZZRAXWMLZZDYDV-NSHDSACASA-N	246.335	2.678	0	1	BFAF	
CCC(=O)NCCSc1c[nH]c2ccccc12	2601599	YTBRZKAOHUJNPO-UHFFFAOYSA-N	248.351	2.786	0	3	BFAF	
CCN[C@@H]1CCCc2nc3ccccc3c(N)c21	3802311	ASJZMSBXFBKBDW-GFCCVEGCSA-N	241.338	2.804	0	1	BFAF	
CCN(CCO)C[C@H]1CCC[C@@H]2CCCC[C@@H]21	13099557	OMNYFBVXUCYWNL-ZNMIVQPWSA-N	239.403	2.907	0	1	BFAF	
CC(=O)CCCc1cc2c(cc1C)[C@@H](C)[C@@H](O)O2	14694230	HZTYYHWPJHBADJ-ABAIWWIYSA-N	248.322	2.721	0	1	BFAF	biogenic
CC(C)N(c1nc2ccccc2c(=O)o1)C(C)C	27527063	VZVOLFPUJZTOGM-UHFFFAOYSA-N	246.310	2.811	0	1	BFAF	
CC(C)Cc1cc(=O)c2cc3c(cc2o1)OCO3	28875422	OINXYIUQDPNNSU-UHFFFAOYSA-N	246.262	2.720	0	1	BFAF	
OCc1ccc2nc(C3=CCCC3)[nH]c2c1	586882993	FCYNPCXGOMSLCR-UHFFFAOYSA-N	214.268	2.623	0	1	BFAF	
CC(C)[C@@](C)(O)c1nc2cc(F)c(F)cc2[nH]1	586885389	BIGGRWMFZBFQRN-GFCCVEGCSA-N	240.253	2.705	0	1	BFAF	
CC=CC=C(C)C(=O)N[C@@H](COC)CC(C)C	2356325252	WSESSQIXKXIOEF-CYBMUJFWSA-N	239.359	2.686	0	1	BFAF	
C[C@@H]1CCC[C@@H]2C=C[C@H]([C@](C)(O)CO)C[C@]12C	2356774520	ZZHXTFNRDOZNKC-UXXRCYHCSA-N	238.371	2.748	0	1	BFAF	
COc1cc2c(cc1Cl)[C@H](C)CNCC2	6733302	SJJIKXOJEDKQRJ-MRVPVSSYSA-N	225.719	2.598	0	1	BFAF	
CC1=C[C@@H]2[C@H](C[C@@H]1O)[C@@](C)(O)CCCC2(C)C	14439377	DKDSGYSHJKYLBQ-OSFYFWSMSA-N	238.371	2.891	0	1	BFAF	biogenic
Cc1ccc2c(c1)oc(=O)n2Cc1ccccc1	64541106	HYWGUCHKPHXSGZ-UHFFFAOYSA-N	239.274	2.951	0	1	BFAF	in-vivo
CC(C)N(Cc1cnc[nH]1)c1ccc(F)cc1	95558860	VRTRCQWZSDTCHC-UHFFFAOYSA-N	233.290	2.964	0	1	BFAF	
CCCSc1n[nH]c2c3ccccc3nc-2n1	104090089	BDOHOGPYIWLJLS-UHFFFAOYSA-N	244.323	2.960	0	1	BFAF	
C[C@H](c1nccs1)c1ccc(O)cc1O	147041835	SXJUUBNAKFAGIA-ZETCQYMHSA-N	221.281	2.706	0	1	BFAF	
C[C@H]1C(=O)CC[C@]12NCCc1cccc(Cl)c12	963390184	GNTJDGPAHUGRKQ-XPTSAGLGSA-N	249.741	2.680	0	1	BFAF	
CC12C[C@@H]3CC(C[C@H](C3)C1)[C@]21CCCN1	1772639651	WACQHRBCONRFMC-HRDMENRUSA-N	205.345	2.955	0	1	BFAF	
CC(C)c1ccc(C2[N@]3CCC[N@@]23)cc1	1857622147	CGTOAJWVPYVTAM-GJZGRUSLSA-N	202.301	2.745	0	1	BFAF	
C[C@H](CO)c1cc2c(cc1O)CCC[C@H]2C	2356563903	DKBQCOYMWZZNQT-NXEZZACHSA-N	220.312	2.928	0	1	BFAF	
C[C@H](O)CC=C1C(C)(C)[C@H]2CC[C@@]1(C)O2	2356739535	HQLPIWZTDPELBP-UFGOTCBOSA-N	210.317	2.661	0	1	BFAF	
CC[C@@H](C)n1nnc2c(=O)oc3ccccc3c21	176873	QBGFQEMBIAXCGJ-MRVPVSSYSA-N	243.266	2.509	0	3	BFAF	
Cc1cccc(/C=C2/C(=O)Nc3ccccc32)n1	5931283	LFWFCMAIFMJWAX-UKTHLTGXSA-N	236.274	2.883	0	1	BFAF	
O=C1Nc2ccccc2N(c2ccccc2)N1	9775229	DRRJWRGLJJDCNJ-UHFFFAOYSA-N	225.251	2.875	0	1	BFAF	
C[C@H]1CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O	14487668	QIHMBTNCJUFMCE-HOSYDEDBSA-N	212.333	2.789	0	1	BFAF	endogenous,in-man
CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1C	27080649	ISGTZPWVTFLQFM-UHFFFAOYSA-N	249.701	2.957	0	1	BFAF	
COc1ccccc1[C@@H]1[C@@H](CN)[C@H]2CC[C@@H]1C2	27993732	TWQYJZHCEIXHSD-YODMDTAWSA-N	231.339	2.784	0	1	BFAF	
CC[C@@H](OC(C)=O)c1ccc(OC(C)=O)cc1	28334975	UAWHZODFGAHJCC-CYBMUJFWSA-N	236.267	2.626	0	1	BFAF	
COc1ccccc1CCN1CCC[C@H]1C	29130804	KDVUGYDZNTZESD-GFCCVEGCSA-N	219.328	2.722	0	1	BFAF	in-vivo
Cc1noc(C)c1-c1ccc2nc[nH]c2c1	169322568	JNUFDOAGGSSJSL-UHFFFAOYSA-N	213.240	2.835	0	1	BFAF	
COc1c(C)cc2c(C(C)C)cc(=O)oc2c1O	238789045	YUDKCHUOSDKDSU-UHFFFAOYSA-N	248.278	2.939	0	1	BFAF	
C[C@H]1[C@@H]2C[C@@H]3CC[C@]2(C)[C@@](O)(C[C@H]1O)C3(C)C	2356476261	GILFHGQCINVCMC-FCNPYSRZSA-N	238.371	2.581	0	1	BFAF	
C=CC=CCC[C@@H](O)[C@@H](O)CCC=CC	2356532476	MJLQEGJBMARMTJ-QWHCGFSZSA-N	210.317	2.587	0	1	BFAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)C=C3C[C@H]12	2356561575	AKXVCCDILASKIZ-CHWSQXEVSA-N	216.280	2.915	0	1	BFAF	
N#[N+]/C=C(\O)c1ccnc(/C(O)=C/[N+]#N)c1	4340011	YEONCZYIBIRMQW-XEQVNJCQSA-P	217.188	2.501	0	3	BFAF	
CC1=C(O)C=C[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12	4095916	KTZIVFXVIOPPCI-ACSNOGEASA-N	248.322	2.982	0	1	BFAF	in-vitro
CN[C@]12CCCC[C@H]1CCc1ccc(O)cc12	13831974	NUNUKMHQMWIAIX-SWLSCSKDSA-N	231.339	2.943	0	1	BFAF	
Fc1ccc2[nH]cc(CCN3CCCC3)c2c1	66166128	ORCITSDDHKMOSI-UHFFFAOYSA-N	232.302	2.945	0	1	BFAF	
C[C@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)CN2C	169317640	GETRQXWXJRSCAP-NILFDRSVSA-N	231.339	2.764	0	1	BFAF	
COc1ccc(C)cc1/C(O)=C/[n+]1ccccc1	238758814	QOMNXYYTARITGR-KAMYIIQDSA-O	242.298	2.805	0	1	BFAF	
CC(C)[C@H]1CC[C@](C)(O)[C@H]2CC[C@@](C)(O)C[C@@H]21	238770822	PNPPFTXWBZJPGW-QMIVOQANSA-N	240.387	2.971	0	1	BFAF	
CCCCCC[C@H]1CC(=CN(C)C)C(=O)O1	1857622094	RGMUXVLMWFRSEK-LBPRGKRZSA-N	225.332	2.718	0	1	BFAF	
C[C@@H]1CC[C@H](c2ccoc2)N2C[C@@](C)(O)CC[C@@H]12	14962696	DZKOJPWTBVWCGX-BEAPCOKYSA-N	249.354	2.966	0	1	BFAF	biogenic
Cc1ccc2c3c([nH]c2c1)CC[C@H](N(C)C)C3	39214052	CHPRTJOTBLXXLN-NSHDSACASA-N	228.339	2.895	0	1	BFAF	
CC(C)Cc1cnc(N)n1Cc1ccccc1	72105908	FNYDLYCGNAHZTG-UHFFFAOYSA-N	229.327	2.712	0	1	BFAF	
N=C(N)Nc1ccc(-c2ccccc2Cl)cn1	1857633861	TXSQPDIXTPKMRT-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
CC(=CCC[C@](C)(O)c1ccc(C)cc1)CO	2356632670	GIBUWLSTZDPUEL-HNNXBMFYSA-N	234.339	2.921	0	1	BFAF	
Cc1cc(C(C)(C)C)ccc1CC1=NCCN1	13779806	JLVBPZLGXWLQKB-UHFFFAOYSA-N	230.355	2.837	0	1	BFAF	
C[C@@H]1CCC=C2CCC([C@@](C)(O)CO)=C[C@]21C	15200436	IHQKZXXEUOQSEW-UGFHNGPFSA-N	236.355	2.813	0	1	BFAF	biogenic
CC1=C[C@@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2C[C@H]1O	38675361	DGZPYTSARMEKSO-ZQNQSHIBSA-N	238.371	2.747	0	1	BFAF	biogenic,in-vitro
CCCO[C@]1(C)C[C@@H]2OCC3=CCCC[C@]32O1	73310177	XWWSLHBNTBSDJH-IHRRRGAJSA-N	238.327	2.797	0	1	BFAF	
C[C@@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC=C2[C@@]34C1	154126965	XZMYQBCMWCZCML-DSPQJCBJSA-N	245.366	2.786	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2ccnc(OC)c2[nH]1	586893839	YYBVAAQOEPNNGG-ISVAXAHUSA-N	231.299	2.870	0	1	BFAF	
Oc1ccc([C@H]2CCC[C@@H](O)CC2)cc1	1857764692	WESQYXJYCPRDGX-CMPLNLGQSA-N	206.285	2.801	0	1	BFAF	
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@@]12O	1658843	AZKRCCHLNBJNOK-UKRRQHHQSA-N	248.322	2.666	0	1	BFAF	biogenic
Cc1cc(F)cc2c1CC/C2=C\C(=O)NC1CC1	27408024	FTUVQKPMGTUIPN-JXMROGBWSA-N	245.297	2.742	0	1	BFAF	
c1ccc2c(c1)CC[C@@H]1[C@H](c3cc[nH]n3)[C@H]21	27982535	FIORVGNTSODCHF-IACUBPJLSA-N	210.280	2.853	0	1	BFAF	
FC(F)(F)c1cccc2c1[C@H]1CNC[C@@H]2C1	28527665	YLTIOICAHCAKID-JGVFFNPUSA-N	227.229	2.880	0	1	BFAF	
CC(=O)C[C@H](O)/C=C/c1ccc(Cl)cc1	29473260	QUCWVWLWAOCEJD-RPTYSRGTSA-N	224.687	2.693	0	1	BFAF	
COc1cccc([C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CN)c1	100822712	LHKRTBGXNVJRCO-HQRZJTNHSA-N	231.339	2.784	0	1	BFAF	
CCCOc1cccc(OCCC)c1CN	103267463	WBJSFNLJWDAPGF-UHFFFAOYSA-N	223.316	2.723	0	1	BFAF	
Cc1n[nH]c(N)c1-c1nc2c(F)cccc2s1	114397903	ALALFTRMHTVSLL-UHFFFAOYSA-N	248.286	2.716	0	1	BFAF	
CC[C@@H](C(C)C)[C@H]1c2c(cnn2C)CCN1C	963953621	BMGZDMSIDUCWDD-JSGCOSHPSA-N	235.375	2.631	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@H]([C@@](C)(O)CO)CC1	2356717321	OUYSUIFFVMUYNC-NEBZKDRISA-N	238.371	2.892	0	1	BFAF	
CCCC(=O)CC=CC[C@H]1OC(=O)C[C@H]1C	2356721507	GVXCZAWBYHCYJS-ZYHUDNBSSA-N	224.300	2.644	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@@H]3NC(=N)NC(=C23)[C@@H]1CC	2356802311	SCBTVUSKBJXZBF-KXNHARMFSA-N	247.386	2.993	0	1	BFAF	
O=C(O)c1[nH]nc2c1C[C@@H](C1CCCCC1)CC2	36387419	UJNZWNGXQYJJGP-JTQLQIEISA-N	248.326	2.793	0	3	BFAF	
NC1=N[C@H](Cc2ccccc2)[C@H](C(F)(F)F)C1	13781181	UQPONPWAJJACRG-NXEZZACHSA-N	242.244	2.537	0	1	BFAF	
C[C@H]1C[C@]2(C)C[C@@H](Cc3ccc(O)cc32)N1C	29483444	BTVUINDNYSENMC-JVLSTEMRSA-N	231.339	2.689	0	1	BFAF	
Cc1ccccc1-n1nncc1-c1ccncc1	73222138	HSOKTKATJFFUFV-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
CC[C@H](C)C[C@]1(C)SC(=O)[C@@H](C)C1=O	169719222	DGCWGCBTVBOIST-LAEOZQHASA-N	214.330	2.660	0	1	BFAF	
OCCCCn1nc2cc1Oc1ccc(F)cc1-2	587876097	ZAUBYIXSGDJVRP-UHFFFAOYSA-N	248.257	2.567	0	1	BFAF	
COC(=O)c1ccc(OC=C(C)C)cc1	1772646692	GJXVTTHRPLFJHS-UHFFFAOYSA-N	206.241	2.776	0	1	BFAF	
CC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]2NC1	2356330465	KNXQMYAIQXBYHZ-OCCSQVGLSA-N	224.307	2.726	0	1	BFAF	
C[C@@H]1C[C@@H](O)C2=C(CO)C(C)(C)[C@H]3CC[C@]21C3	2356476092	APRWDYJEUYMHQR-KVQFHVITSA-N	236.355	2.502	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@H]([C@](C)(O)CO)CC1	2356717320	OUYSUIFFVMUYNC-MYZSUADSSA-N	238.371	2.892	0	1	BFAF	
C[C@@H](O)CC=C1C(C)(C)[C@H]2CC[C@@]1(C)O2	2356739534	HQLPIWZTDPELBP-IRUJWGPZSA-N	210.317	2.661	0	1	BFAF	
Cc1cc(C)c2c(=O)oc(NC(C)C)nc2c1	27547156	GZCGRERTNIKHLF-UHFFFAOYSA-N	232.283	2.625	0	1	BFAF	
C[C@]12N[C@H](Cc3ccccc31)c1ccc(O)cc12	27890044	HXZMISWMKKQWQJ-CVEARBPZSA-N	237.302	2.856	0	1	BFAF	
CCNc1cccnc1Nc1cccc(C)n1	28527409	DPOZSDIHFQRUEB-UHFFFAOYSA-N	228.299	2.960	0	1	BFAF	
CN1C(=O)CC[C@]2(C)c3ccc(F)cc3CC[C@H]12	40503790	RCEBVKVYLHBTNY-DZGCQCFKSA-N	247.313	2.650	0	1	BFAF	
C[C@@]1(/C=C/c2ccccc2)C=CC(=O)O1	96921224	QESCCKFXSFDWHF-BUUCAEBMSA-N	200.237	2.572	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@@H]3[C@@H](O)C[C@]2(C)[C@@H](O)[C@H]31	169303710	VWMGBHVRRNKOAE-FIPALRBNSA-N	238.371	2.581	0	1	BFAF	
CC(=O)CC[C@@H](/C=C\C(C)(C)O)C(C)C	198923907	ONFMWCGMHFLYNV-LAUAKBEESA-N	212.333	2.955	0	1	BFAF	
Oc1ccn(CSc2ccc(Cl)cc2)n1	95553688	QJZUJHIDWKRANS-UHFFFAOYSA-N	240.715	2.992	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CO	139039273	XSJRCXSSXUHOHN-SLEUVZQESA-N	236.355	2.957	0	1	BFAF	
CC[C@@H]1c2cc(OC)c(OC)cc2CCN1C	169309107	GMODQPOUSSZBSO-GFCCVEGCSA-N	235.327	2.643	0	1	BFAF	
CN1C[C@H]2c3c(N)cccc3[C@H]1[C@@H]1CCC[C@H]21	253640194	JOOBQJINBSHFNJ-PETRGTFGSA-N	228.339	2.769	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2c(C)ccnc2[nH]1	586914799	YBOZUHPKBZOJQS-MNOVXSKESA-N	245.326	2.939	0	1	BFAF	
Cc1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1	587025643	PFIMAAOQZFXCOV-LBPRGKRZSA-N	243.335	2.981	0	1	BFAF	
O=C(C1CCC1)N1N=CC[C@H]1c1ccccc1	1857535264	BULOQKINPKUMDS-ZDUSSCGKSA-N	228.295	2.746	0	1	BFAF	
C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@@]34C1	121660	BCZFSDNVXODRAJ-PAURTPPISA-N	247.382	2.866	0	1	BFAF	
CC(=O)N[C@@]1(C)[C@H]2C[C@@H]([C@H]1C)C(C)(C)[C@H]2C	13510219	NUMKLBYYJZQOGT-BMOFAUNVSA-N	223.360	2.829	0	1	BFAF	
CN[C@]12CCCC[C@@H]1CCc1ccc(O)cc12	26152916	NUNUKMHQMWIAIX-IUODEOHRSA-N	231.339	2.943	0	1	BFAF	
Cc1ncccc1-c1ccc2[nH]c(=O)ccc2c1	26168763	HNLCYOBIONMGBU-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
CCc1cccc2c(=O)oc(NC(C)C)nc12	27527225	MNIVYGCGMDAMJD-UHFFFAOYSA-N	232.283	2.571	0	1	BFAF	
O[C@H]1CCc2cc(-c3cccnc3)ccc2C1	40393495	ROYVUWJYYRTBSK-HNNXBMFYSA-N	225.291	2.598	0	1	BFAF	in-vivo
CN1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	101047339	HLNPMOXPJPCMLY-GMTAPVOTSA-N	222.719	2.685	0	1	BFAF	
CC(=O)NCc1ccc(-c2scnc2C)cc1	103250392	PLCJTEQSRQOJTH-UHFFFAOYSA-N	246.335	2.755	0	1	BFAF	
CN1[C@@H]2CC[C@@H](C(=O)c3ccccc3)[C@H]1CC2	139374612	FKBXXVPBVMWIDS-MGPQQGTHSA-N	229.323	2.742	0	1	BFAF	
COC1=C(C)C(=O)O[C@@H](/C=C/c2ccccc2)C1	169521687	CSMBYJHAWMUEKM-XEHSLEBBSA-N	244.290	2.936	0	1	BFAF	
CC(C)C[C@H](O)c1nc2cc(Cl)cnc2[nH]1	586900580	HAKFTUFETZVHHV-VIFPVBQESA-N	239.706	2.691	0	1	BFAF	
C[C@H](F)[C@H](N)c1nc2cc(Cl)cc(F)c2[nH]1	587126724	XUKSSKXSJFVMNP-NVNXEXLPSA-N	245.660	2.713	0	1	BFAF	
CC1=C[C@H](OCC2=C[C@H]3C[C@@H](C2)C3(C)C)OC1=O	1857582608	XLVPZGHKEFPDOL-YNEHKIRRSA-N	248.322	2.825	0	1	BFAF	
CC1=CC[C@@]2(CC1)[C@@H]([C@@](C)(O)CO)CC[C@H]2C	2356407146	QYMRVKAANPSQAP-KBXIAJHMSA-N	238.371	2.892	0	1	BFAF	
COc1ccc(C[C@@H]2NC(O)=C(O)C2(C)C)cc1	2356871127	XXSMGIGAXQTTGY-NSHDSACASA-N	249.310	2.521	0	1	BFAF	
COc1ccc(C=O)c(N(C)C(=O)C(C)(C)C)c1	1613166	GNPPRXBOBKZACL-UHFFFAOYSA-N	249.310	2.517	0	1	BFAF	
Cc1sc2c(c1C)C(=O)c1cccn1-2	1649472	QKWHUSBKSMUXHP-UHFFFAOYSA-N	203.266	2.700	0	1	BFAF	
CC1=CC[C@]23O[C@@]2(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]13	15264854	FBMFZUVWPCVTSM-PAPYEOQZSA-N	246.306	2.516	0	1	BFAF	
CCc1n[nH]c(N)c1-c1nc2ccccc2s1	19721142	IXSYRRSIOMPVHT-UHFFFAOYSA-N	244.323	2.831	0	1	BFAF	
COc1ccc([C@H]2[C@@H](CN)[C@H]3CC[C@@H]2C3)cc1	27997814	KMHOEPPHTBTLAR-MYZSUADSSA-N	231.339	2.784	0	1	BFAF	
CC[C@@H](OC(C)=O)c1ccccc1OC(C)=O	28342851	DZRMDXUCPXGJPT-GFCCVEGCSA-N	236.267	2.626	0	1	BFAF	
CC1(C)[C@@H]2CC[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H]3[C@@H]21	59587526	DWNPMJOWAWGIMM-XZSFVTMWSA-N	238.371	2.581	0	1	BFAF	biogenic,in-vitro
CCCO[C@@]1(C)C[C@@H]2OCC3=CCCC[C@]32O1	73310181	XWWSLHBNTBSDJH-MJBXVCDLSA-N	238.327	2.797	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1CO	257547804	SYSFCGLKPBVTDQ-JLNYLFASSA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
COc1ccc([C@@H]2CN3CCCC[C@H]3CO2)cc1	299847177	VBWZSTYUCACGIZ-ZFWWWQNUSA-N	247.338	2.621	0	1	BFAF	
O=C1CCC[C@H](c2nc3cccnc3[nH]2)CC1	586883737	DHJPTCPLJFQCJO-VIFPVBQESA-N	229.283	2.575	0	1	BFAF	
Cc1cnc2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2c1	586917669	UXUUKPLWIWOZJJ-KWQFWETISA-N	231.299	2.754	0	1	BFAF	
N[C@@H](N=O)c1ccc2[nH]c(-c3ccco3)nc2c1	957950703	RKHUHLNJPZTSOW-NSHDSACASA-N	242.238	2.547	0	1	BFAF	
COC(=O)CC=C1c2ccccc2[C@@H](OC)[C@H]1C	1857623106	BAHWNFBCNAWEMW-BONVTDFDSA-N	246.306	2.970	0	1	BFAF	
CC=C[C@H]1C[C@H](O)c2cc(C)ccc2O1	2356461825	VQTRDZXQXYYUPP-JQWIXIFHSA-N	204.269	2.756	0	1	BFAF	
Cc1ccc2cc3c(cc2n1)[C@H]1CNC[C@@H]3C1	28528892	ZESXLBONCPGUND-NWDGAFQWSA-N	224.307	2.717	0	1	BFAF	
CCCCCOC(=O)N1N=C(C)N=N[C@@H]1C	40505958	DNGLDWGAAUPFGW-VIFPVBQESA-N	226.280	2.760	0	1	BFAF	
C[C@@H]1C(=O)C[C@@H]2[C@H]3[C@@H]1[C@]2(C)CCC(=O)C3(C)C	100775946	PZYLIQGFDJFRCZ-CRTLLFTMSA-N	234.339	2.853	0	1	BFAF	endogenous,in-man
CCN(CC)[C@@H](c1ccccc1)C1COCOC1	169322995	XWRXUSADUIWSPA-HNNXBMFYSA-N	249.354	2.690	0	1	BFAF	
CN1[C@H]2CC[C@H]1[C@@H](c1ccc(F)cc1)C2	253643373	BXGWCQDCHRVLAK-XQQFMLRXSA-N	205.276	2.776	0	1	BFAF	
O=C1NCCc2cc(-c3cccc(F)c3)ccc21	1239535055	DXOKCWHJLBVPQY-UHFFFAOYSA-N	241.265	2.779	0	1	BFAF	
COc1ccc(F)cc1[C@@H]1C[C@H]1CNCC1CC1	1772627724	NMXXDUVHNZCKGY-WCQYABFASA-N	249.329	2.937	0	1	BFAF	
CCCc1cc(C)c2c(c1O)C(=O)O[C@H](C)C2	1857543155	SEHYVGNPTXZXHD-SECBINFHSA-N	234.295	2.755	0	1	BFAF	
N=C1NCc2ccc(-c3ccccc3)cc2N1	1857751940	XNNQPDDYLKUXSK-UHFFFAOYSA-N	223.279	2.803	0	1	BFAF	
CCCc1ccc([C@H]2CCCN2C)cn1	13819447	PRZWMEZZLSVZHL-CYBMUJFWSA-N	204.317	2.801	0	1	BFAF	
CC1(C)CCC[C@@]2(C)C3=C(CC(=O)[C@@H]12)C(=O)OC3	14449304	UIFPOMHZPDKLLM-WFASDCNBSA-N	248.322	2.645	0	1	BFAF	biogenic
CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CO	85661926	SYSFCGLKPBVTDQ-RGCMKSIDSA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
O=c1nc(-c2ccccc2)[nH]c2cscc12	146077053	RFIQJVUSTQQSCZ-UHFFFAOYSA-N	228.276	2.652	0	1	BFAF	
COc1cc(-c2ccc(O)cc2)cc(C=O)c1O	169699569	FDPOOWMZVZJADG-UHFFFAOYSA-N	244.246	2.586	0	1	BFAF	
C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](CC4)[C@H]1O	238763203	ANZDCOUFLQZNEJ-SDSMMKDESA-N	249.398	2.658	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cnccc2[nH]1	586893290	XHKFJQDFHTXZBA-UFBFGSQYSA-N	201.273	2.862	0	1	BFAF	
CC[C@H](O)c1nc2ccc(OC(C)C)cc2[nH]1	586901623	UYCXQLSCQDECJR-LBPRGKRZSA-N	234.299	2.794	0	1	BFAF	
CC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)CC2	587213456	SRWOHZAHHPQTLJ-AWEZNQCLSA-N	240.262	2.730	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)C)O2	587405281	KGLNAEWMFPPIHU-GFCCVEGCSA-N	233.311	2.957	0	1	BFAF	
CC1=C2[C@H]3O[C@@]2(C[C@@H]2CCC[C@@H](C)[C@@]23C)OC1=O	2356544084	BXSYDOYJFXURHI-QJLGLGQJSA-N	248.322	2.801	0	1	BFAF	
CO[P@]1(=O)C[C@H]2C(Cl)(Cl)[C@@]2(C)C1	1617624	QRKRKVKQGRLRPQ-ZWBHMBAVSA-N	229.043	2.735	0	1	BFAF	
Cc1oc2ccc3c(C)cc(=O)oc3c2c1CO	6069650	DTBIDLAVTVPMJJ-UHFFFAOYSA-N	244.246	2.648	0	1	BFAF	
NCC12CC(c3ccccc31)c1ccccc12	13473103	IZUFWQBEJCIXMX-UHFFFAOYSA-N	221.303	2.780	0	1	BFAF	
Cc1cc2[n+](cc1-c1ccc(O)cc1)CCC2	14556608	PTGFJAXMSHAWHR-UHFFFAOYSA-O	226.299	2.601	0	1	BFAF	
CCCN1CCO[C@H]2c3ccsc3CC[C@@H]21	26822556	GRHVCLHQXSTVGR-AAEUAGOBSA-N	237.368	2.846	0	1	BFAF	
C[C@H]1N[C@@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@H]21	38674446	FMBYQEIJDWNYNT-PVUIZZSESA-N	228.339	2.815	0	1	BFAF	
COc1ccc(C)c(OCc2ccncc2)c1	53683042	MBHBRRBLXCXQKV-UHFFFAOYSA-N	229.279	2.978	0	1	BFAF	in-vivo
COC1=Cc2nc3cccc4c3c(c2C1)CC4	587215024	YVCTXBARUIRDNB-UHFFFAOYSA-N	223.275	2.877	0	1	BFAF	
Fc1ccc(-n2nnc3cnc(Cl)cc32)cc1	1857655889	YQXHFXPALTZTJE-UHFFFAOYSA-N	248.648	2.608	0	1	BFAF	
Cc1ccc2c(c1)O[C@]1(CO)[C@@H](C)CC[C@]21C	13370967	YPYIICNUEFDNGL-NILFDRSVSA-N	232.323	2.806	0	1	BFAF	biogenic
C=C1CCC(=O)[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]12C	14619315	ACJFMILVVPRTRP-WHOFXGATSA-N	246.306	2.564	0	1	BFAF	biogenic
CCc1cc(Cl)ccc1Nc1cn[nH]n1	98176646	ZNXJSDXTMPJVED-UHFFFAOYSA-N	222.679	2.764	0	1	BFAF	
CC(=O)[C@H](O)C[C@@H]1[C@@H]([C@@H]2[C@H]3CC[C@@]23C)C1(C)C	101589761	JKXJYVRJLPSTSD-CZYNCPRBSA-N	236.355	2.645	0	1	BFAF	
CCc1cc2c(O)nc(O)nc2nc1[C@@H](C)CC	587560718	DRIZXINQDFVKIE-ZETCQYMHSA-N	247.298	2.512	0	1	BFAF	
C[C@H](O)C=C[C@H]1[C@H](C)CC(=O)CC1(C)C	2356582154	WFSOPDPEWLYCRX-SCVCMEIPSA-N	210.317	2.565	0	1	BFAF	
C=C[C@@H]1O[C@H](C)[C@@H]2C[C@@H](C(C)C)C(=O)[C@H]2C1=C	14439965	OINXAOWZYHLIMO-QMVSFRDZSA-N	234.339	2.993	0	1	BFAF	biogenic
COc1cccc([C@]23CCCN[C@H](CC2)C3)c1	29246465	PRVRSSVEGMFFPB-UKRRQHHQSA-N	231.339	2.869	0	1	BFAF	
COc1ccc2c(C=O)c(SC)[nH]c2c1	140040098	QTGIHGJBFQOXDY-UHFFFAOYSA-N	221.281	2.711	0	1	BFAF	
CCN1CC[C@@]2(c3cccc(O)c3)CC[C@H]1C2	255979472	IRGGMTQKLTZNPN-ZFWWWQNUSA-N	231.339	2.908	0	1	BFAF	
CCOC(=O)[C@H](C)[C@H](O)c1ccccc1Cl	299828134	GXYPYZDAMQRICZ-KCJUWKMLSA-N	242.702	2.573	0	1	BFAF	
CC[C@@H](C)CC[C@@H]1CC(O)=C(C)C(=O)O1	2356603901	OSWJYTAYRCLDMA-PSASIEDQSA-N	212.289	2.960	0	1	BFAF	
CC1(C)O[C@]2(C)C[C@H]3CC[C@@H](CO)[C@@H](C2)[C@H]31	2356614593	AHUCWEUMKLDGDH-GHMOJZLGSA-N	224.344	2.599	0	1	BFAF	
CC(C)CCNC[C@@H]1CCc2ccc(O)cc2O1	3959256	QUTOZVVXGBXVSP-AWEZNQCLSA-N	249.354	2.722	0	1	BFAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)C[C@@H]12	14918263	PNPPFTXWBZJPGW-AHDPXTMNSA-N	240.387	2.971	0	1	BFAF	biogenic
Cc1ccc(-n2sc3ncccc3c2=O)cc1	34088047	QCEHZHUIONMGOY-UHFFFAOYSA-N	242.303	2.756	0	1	BFAF	
Oc1cc(O)c2c(c1)CCc1ccccc1O2	40913947	CYFMLBQMCKMNJT-UHFFFAOYSA-N	228.247	2.989	0	1	BFAF	biogenic,in-vitro
O=C1Nc2ccccc2[C@@H]2c3ccccc3N[C@@H]12	43060628	XXUMJZLUQLIDJC-UONOGXRCSA-N	236.274	2.565	0	1	BFAF	
Nc1nc2c(-c3c[nH]c4ccccc34)nccc2[nH]1	45290411	VDQPKRPHLSTBEH-UHFFFAOYSA-N	249.277	2.688	0	1	BFAF	
C[C@H]1C[C@@]2(C)C[C@@H](Cc3ccc(O)cc32)N1C	169312972	BTVUINDNYSENMC-NVBFEUDRSA-N	231.339	2.689	0	1	BFAF	
COc1ccc2c3ccnc(C)c3n(O)c2c1	238785607	LWTUCTBZWDOXCN-UHFFFAOYSA-N	228.251	2.744	0	1	BFAF	
CCCCC=CCCCCOS(=O)(=O)O	2356414810	RFESJZXTILAJHV-UHFFFAOYSA-N	236.333	2.723	0	1	BFAF	
CC1=CC[C@@H]2[C@H]([C@@H]1O)[C@H](C(C)C)CC[C@]2(C)O	2356463255	UWHNWJPJCCVVKQ-JARUQAPTSA-N	238.371	2.747	0	1	BFAF	
CC1=C([C@](C)(O)CO)CCC2=CCC[C@H](C)[C@@H]21	2356475903	UVGQAUJBBOTIHR-COLVAYQJSA-N	236.355	2.813	0	1	BFAF	
COc1nc(CC(C)C)cnc1CC(C)C	15216478	CZCIHKWQWLOKNU-UHFFFAOYSA-N	222.332	2.882	0	1	BFAF	biogenic
Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@H](C2)NCC3	138153168	IYNWSQDZXMGGGI-CWRNSKLLSA-N	243.350	2.738	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@@H]([C@H]24)[C@@]1(C)[C@H]35	195474304	LRNABWCLYGWJSN-RKYOXYCZSA-N	231.383	2.913	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cccc(C(N)=O)c2[nH]1	586891487	RGCPNGLJZOQKEQ-LKFCYVNXSA-N	243.310	2.565	0	1	BFAF	
NO[C@H](c1ccccc1)c1ccsc1	1857596146	KWFSMRFYKUQKIU-LLVKDONJSA-N	205.282	2.728	0	1	BFAF	
CCC[C@H](C)C=C1CN2CCC[C@H]2[C@@](C)(O)C1	2356743742	ZQWCTWAOPTYJIS-QEJZJMRPSA-N	237.387	2.968	0	1	BFAF	
COc1cccc(-c2cccc(SC)n2)n1	1659716	XPXURTRUBAMKGZ-UHFFFAOYSA-N	232.308	2.874	0	1	BFAF	
CC1=CC[C@]2(O)[C@H](C)CC[C@@H](C(C)C)[C@H]2C1=O	13381559	DTKVUCPWKSABCL-OSFYFWSMSA-N	236.355	2.955	0	1	BFAF	biogenic
CCCCC[C@@H]1N=C(N)C[C@H]1C(F)(F)F	13781177	PZGNHZIXEYPIPG-SFYZADRCSA-N	222.254	2.875	0	1	BFAF	
CC1=C[C@H]2C[C@@]3(O)OC(=O)C=C3C(C)(C)[C@H]2CC1	169668863	FGUPQPDMAULLNU-ZIBATOQPSA-N	248.322	2.561	0	1	BFAF	
C[C@H]1C[C@H](C)O[C@@]2(C1)C(=O)Nc1ccccc12	195426191	PUASAJJEJHCSGU-PKFCDNJMSA-N	231.295	2.669	0	1	BFAF	
CN(C)C(=O)c1ccc2nc(C3CCC3)[nH]c2c1	586884164	LDCLFBIPDAUOEL-UHFFFAOYSA-N	243.310	2.532	0	1	BFAF	
CCC/C=C1/C(=O)Oc2ccc(OC)cc21	1857645837	FUYLEMHWIIJMQW-BJMVGYQFSA-N	218.252	2.798	0	1	BFAF	
C[C@H](O)C=CC[C@H](C)[C@@H]1C=C[C@@](C)(O)CC1	2356868429	XBKAUOYYIOGLNF-IGQOVBAYSA-N	224.344	2.667	0	1	BFAF	
CC[C@@H](C)[C@H]1CN=C(N)N1CC1CCCCC1	12727003	QFMIRORLTBGYDS-DGCLKSJQSA-N	237.391	2.612	0	3	BFAF	
CCc1c(C(=O)OC)c2n3c1CCC[C@@H]3CC2	205359043	PXLSSCIFCJDXKF-SECBINFHSA-N	233.311	2.661	0	3	BFAF	
O=C1CCC(=C2C[C@@H]3[C@H]4C[C@@H](O)[C@H](C4)[C@@H]3C2)CC1	13835457	UNLZEDPWRQTNSP-JPIRQXTESA-N	246.350	2.853	0	1	BFAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CCC(CO)=C[C@@H]12	14918586	IOQSQJRNINOLDG-XQLPTFJDSA-N	238.371	2.748	0	1	BFAF	biogenic
C[C@H]1CCCC(C)(C)[C@]1(O)/C=C/C=C\C(=O)O	28876693	XRNXMVZXLFUIQI-MPXQWYKBSA-N	238.327	2.761	0	1	BFAF	
Oc1c(Cc2ccccn2)ccc2cccnc12	44713556	WLWQZKQFQNNCAP-UHFFFAOYSA-N	236.274	2.926	0	1	BFAF	in-vitro
CC(C)[C@]12CC[C@@](C)(O1)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]1C2	100775067	VWQSEENZNJRXDR-MNQBEEPXSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
CC/C=C/C[C@@]1(C)SC(=O)[C@H](C)C1=O	169719247	HFBDIZKDKSFWDK-PGBKMXGDSA-N	212.314	2.580	0	1	BFAF	
CS/C=C/N(C)C(=O)/C=C/c1ccccc1	238771766	GGZNHXWTLPWZRA-BNFZFUHLSA-N	233.336	2.992	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1O	238779709	RUGJZFZHTUVOIR-JARUQAPTSA-N	240.387	2.971	0	1	BFAF	
CC1=C[C@@H]2[C@H](CC1)[C@H](C)C[C@@H](O)[C@]2(O)C(C)C	2356639669	ZGSRWTHKVMRAML-RYPNDVFKSA-N	238.371	2.747	0	1	BFAF	
COc1ccc2c(c1)[C@H](c1c[nH]cn1)CCC2	13765317	IKGOFDYUYWMHRI-GFCCVEGCSA-N	228.295	2.887	0	1	BFAF	
CC(C)[C@H]1CC/C(=C/Br)OC1=O	29208283	HBUCVSCEKDOHRY-GRKOMRHMSA-N	233.105	2.832	0	1	BFAF	
C[n+]1ccc(CCC(C)(C)N(Cl)Cl)cc1	43074972	DCIKPCDJOMABDH-UHFFFAOYSA-N	248.177	2.832	0	1	BFAF	
CC[C@]12CCN(C)[C@@H](Cc3ccc(O)cc31)C2	100158719	HTVYMSXOJZFICF-SWLSCSKDSA-N	231.339	2.690	0	1	BFAF	
Cc1cccc(C[C@@]2(C)SC(=O)[C@H](C)C2=O)c1	169719243	CHLBSFMJNDDPFR-QMTHXVAHSA-N	248.347	2.775	0	1	BFAF	
COc1snc2cc(-c3cccnc3)cnc12	223248884	NJKISZOHFFJJJQ-UHFFFAOYSA-N	243.291	2.762	0	1	BFAF	
O=C1C[C@H]2C[C@H](C[C@@H](/C=C/c3ccccc3)O2)O1	238767886	YFBYLKAKTMYKNB-KEHVYPQJSA-N	244.290	2.563	0	1	BFAF	
CCC[C@H](C)c1cc(OC(=O)N(C)C)no1	299871740	ZDDCMTYREBAVTH-QMMMGPOBSA-N	226.276	2.639	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2ccnc(O)c2[nH]1	586892680	VLVYHJLCVNGBAM-JMCQJSRRSA-N	217.272	2.567	0	1	BFAF	
CSc1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1	587190307	HIYJPBHOSCOSOM-VIFPVBQESA-N	249.383	2.777	0	1	BFAF	
CC(=O)c1c(O)cc(C)o/c1=N\C1CCCCC1	617964390	QNJGDEXPLSBTSQ-PFONDFGASA-N	249.310	2.730	0	1	BFAF	
CC(C)[C@@H]1[C@H]2CO[C@H]1[C@@H]1N(C)C[C@@H]3CC[C@@H]2[C@]31C	2356485151	VNAJNLDGWVFACK-ANWQTWAASA-N	249.398	2.634	0	1	BFAF	
Cc1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[S@](=O)N2	13135538	SNZUAMJDPKNTCJ-ZWRJYGLPSA-N	247.363	2.966	0	1	BFAF	
C[C@@]12N[C@@H]([C@H]3CCCC[C@@H]31)[C@H](O)c1ccccc12	36011780	QUUVVNAADCNVJY-JCGRBJNKSA-N	243.350	2.727	0	1	BFAF	
CC1(C)O[C@@]2(C3CCCC3)CC[C@@H]1[C@H](O)C2	85543408	FBRINWQEZPARPI-BZPMIXESSA-N	224.344	2.885	0	1	BFAF	biogenic,in-vitro
CC(C)(C)C(=O)SNC(=O)c1ccccc1	166622247	DNBSPOKUNDYAPI-UHFFFAOYSA-N	237.324	2.637	0	1	BFAF	
O=C(c1ccno1)c1coc2ccccc12	587281070	SRWXWKYJSCXKSQ-UHFFFAOYSA-N	213.192	2.652	0	1	BFAF	
CC1=C(CC[C@H](C)O)C(C)(C)C[C@@H](O)C1	14587813	HFQNROGZQRGTGP-QWRGUYRKSA-N	212.333	2.645	0	1	BFAF	biogenic
c1cnc2c(NCC3CCCCC3)n[nH]c2c1	167072476	BUMZPTZNZAAEKI-UHFFFAOYSA-N	230.315	2.950	0	1	BFAF	
C[C@H]1[C@@]2(C)CC[C@@H]3[C@H]2CC[C@@]1(C)O[C@]3(C)O	238731813	KWEHQSJHTLFZSW-NFTYFPCCSA-N	224.344	2.946	0	1	BFAF	
C[C@@H]1CC[C@H](c2ccoc2)N2C[C@@](C)(O)CC[C@H]12	257411954	DZKOJPWTBVWCGX-NGFQHRJXSA-N	249.354	2.966	0	1	BFAF	
Cc1nc2cccc3c2c(c1CCN(C)C)CC3	587213276	PZDLDOPAHGEBGK-UHFFFAOYSA-N	240.350	2.746	0	1	BFAF	
C[C@H]1C[C@H](O)CCCCC=CCCCC(=O)O1	2356697405	PJUSYCAFQVDQIH-QWHCGFSZSA-N	240.343	2.970	0	1	BFAF	
COc1ccc2cccc(CCCC(N)=O)c2c1	13781756	QSIOUIPVORSGSV-UHFFFAOYSA-N	243.306	2.656	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1CC[C@@H](O)C[C@@H]21	26261743	ZXASUIFTYKJPOW-UMVBOHGHSA-N	246.374	2.575	0	1	BFAF	
Cc1c[n+](C)ccc1/C=C/c1ccccc1	26837391	LIVZHIDDMNCDIE-CMDGGOBGSA-N	210.300	2.990	0	1	BFAF	
Clc1ccc([C@H]2C[C@@H]3CC[C@@H]2NC3)cn1	100057738	JZQKWOHBHFFOKX-GDPRMGEGSA-N	222.719	2.591	0	1	BFAF	
C[C@@]12N[C@H](c3ccccc31)[C@@H](O)c1ccccc12	100649193	ICNAEBGGDVSIIR-OWCLPIDISA-N	237.302	2.641	0	1	BFAF	
CCCN1CCO[C@H]2c3ccsc3CC[C@H]21	261102394	GRHVCLHQXSTVGR-YPMHNXCESA-N	237.368	2.846	0	1	BFAF	
O=C(O)COc1ccc2c(c1)[nH]c1ccccc12	4201306	DBTXBCCOKOKVMR-UHFFFAOYSA-N	241.246	2.785	0	1	BFAF	
Cc1cc2c(cc1O)[C@H](C)C=C[C@@H](C(C)(C)O)O2	15153286	WYQLDPBFXNVPJE-OTYXRUKQSA-N	248.322	2.892	0	1	BFAF	endogenous,in-man
CC1=C[C@H](O)[C@H](O)[C@@]2(C)CC[C@H](C(C)C)C=C12	15206298	UNJJBVJUBFDZLZ-MXAVVETBSA-N	236.355	2.667	0	1	BFAF	biogenic
O=S(=O)(O)Cc1cccc(-c2ccccc2)c1	26978360	YMWLPANQQFJYBL-UHFFFAOYSA-N	248.303	2.741	0	1	BFAF	
CC1=NN(C(=O)OCCC(C)C)[C@H](C)N=N1	40505019	BIDMWSAAGBPKNH-SECBINFHSA-N	226.280	2.616	0	1	BFAF	
C[C@H]1C[C@H]2Cc3ncccc3[C@]3(C1)NCCC[C@@H]23	85511738	JJPMUZRSJKMFRK-WFGGJUAMSA-N	242.366	2.879	0	1	BFAF	biogenic,in-vitro
Cc1cccc2nc(COC(F)(F)F)[nH]c12	587125765	UDJDXKNIVUNMFD-UHFFFAOYSA-N	230.189	2.908	0	1	BFAF	
NC(=S)c1cccc(-c2cccc(O)c2)c1	1857614596	QBBAHCDGOGTCKK-UHFFFAOYSA-N	229.304	2.693	0	1	BFAF	
C=C1C=CC=C2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3	2356535394	XYNSPFVRYARHDF-KKUMJFAQSA-N	242.366	2.760	0	1	BFAF	
CC[C@H](C)CCc1cc(O)c(C)c(=O)o1	2356795098	IHTSJVCQAKTIMC-QMMMGPOBSA-N	210.273	2.633	0	1	BFAF	
CCCN1CCC[C@@H]2c3cccc(O)c3OC[C@H]21	10956	BJMSUUATNLDQQZ-DGCLKSJQSA-N	247.338	2.743	0	1	BFAF	
Cc1cc(=O)oc2c1ccc1onc(C)c12	6719008	DXTFUKZKERWQPA-UHFFFAOYSA-N	215.208	2.551	0	1	BFAF	
COc1cc2c(c3c1C(=O)OC3)C=CC(C)(C)O2	13358927	SXTUNBQEJGJBCJ-UHFFFAOYSA-N	246.262	2.550	0	1	BFAF	biogenic
COc1ccc2c3c([nH]c2c1)-c1n[nH]cc1CC3	34082560	DYQTWZKCFNQLOR-UHFFFAOYSA-N	239.278	2.665	0	1	BFAF	
Cc1sc([C@H]2C=CNC=N2)c(C)c1C	218947812	KKYWVUFONPWHAU-SNVBAGLBSA-N	206.314	2.860	0	1	BFAF	
O=C1CCCC[C@H]1C(=O)c1ccccc1[N+](=O)[O-]	221502757	OYOVMCBHEPMMKJ-SNVBAGLBSA-N	247.250	2.537	0	1	BFAF	
Clc1ncc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc-2[nH]1	587967743	RLQBMZQOLKIWFY-XLPZGREQSA-N	246.701	2.638	0	1	BFAF	
N[C@H]1CC(C(F)(F)F)=NC=C1c1ccccc1	1857600242	LJPOPTUITOCGRA-JTQLQIEISA-N	240.228	2.762	0	1	BFAF	
CC1=CN([C@@H](C)C(=O)O)C=C2[C]1CC[C@H]2C	2356833886	FNLBHKVYBFXXDK-SCZZXKLOSA-N	220.292	2.567	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1[C@@H](O)CCC[C@@H]21	26271185	QVONKCBUMIKHBA-BJJXKVORSA-N	246.374	2.575	0	1	BFAF	
CC1(C)C=C(CN2CCCCC2)C(C)(C)N1	27104431	ZCISJAPIWHPLTD-UHFFFAOYSA-N	222.376	2.559	0	1	BFAF	
Oc1cccc2c1CC[C@@]21NCc2ccccc21	27657078	BKLZCDDYMWJJMH-INIZCTEOSA-N	237.302	2.685	0	1	BFAF	
C=C/C=C/c1cc(OC)c(OC)cc1OC	34744835	WACVTIABRPEUPH-VOTSOKGWSA-N	220.268	2.912	0	1	BFAF	
Cc1cc(=O)oc2c3c(ccc12)OCC=C3	38363809	DITYIHNYZJISTQ-UHFFFAOYSA-N	214.220	2.507	0	1	BFAF	
CC[C@@]1(c2cccc(OC)c2)CCCC(=O)NC1	39261420	DLLAYTSJCIEZBS-OAHLLOKOSA-N	247.338	2.643	0	1	BFAF	
C[C@H]1CCC=C2CCC([C@@](C)(O)CO)=C[C@@]21C	40379929	IHQKZXXEUOQSEW-GLQYFDAESA-N	236.355	2.813	0	1	BFAF	
Clc1cc2nc3ccccc3n2cn1	103266948	HJALKJFUQMUIBQ-UHFFFAOYSA-N	203.632	2.536	0	1	BFAF	
O=C1C[C@@H](c2ccccc2)N=C2CCCCCN12	103280415	OZZJOAHSJVVIKF-ZDUSSCGKSA-N	242.322	2.933	0	1	BFAF	
C[C@]12CC[C@@H]3CC(=O)CC[C@@H]3[C@H]1CC[C@@H]2O	253633065	HHPUADWBUUWGBY-NGBXAZJTSA-N	222.328	2.543	0	1	BFAF	
COc1ccccc1[C@H](ON)c1ccccc1	1857535061	PNPDSKOEXKULSS-CQSZACIVSA-N	229.279	2.675	0	1	BFAF	
CCC/C=C1/C(=O)Oc2cc(OC)ccc21	1857646558	GHFMRORUKLRHEB-VZUCSPMQSA-N	218.252	2.798	0	1	BFAF	
CC1=C[C@@H]2OC[C@](C)(O)[C@@H]3CC[C@@H](C)[C@@]23CC1	2356490603	OVRVTHVKQKPRTG-CAEXGNQWSA-N	236.355	2.909	0	1	BFAF	
[O-][n+]1c(-c2ccccc2)oc2ccccc21	1624793	KMWQCJBXVNPTKP-UHFFFAOYSA-N	211.220	2.733	0	1	BFAF	
C/C=C/C(=O)Oc1cccc2cccnc12	1630232	VYJYJMBHZFNIJM-GORDUTHDSA-N	213.236	2.716	0	1	BFAF	
Cc1cc(-c2ccccc2)nc2oc(=O)n(C)c12	12946751	OQKKOCDIZXTNSU-UHFFFAOYSA-N	240.262	2.502	0	1	BFAF	
C[C@@H](/C=C/c1ccc2c(c1)OCO2)N=O	169722625	MBWVJRUNXSZBCS-SGJFDWMWSA-N	205.213	2.583	0	1	BFAF	
CO[C@H]1C=C2Cc3occ(C)c3C(=O)[C@H]2[C@H](C)C1	70454967	ZTQAWNAQPWOWCS-DYLAAIIWSA-N	246.306	2.924	0	1	BFAF	biogenic,in-vitro
CN1C[C@@H]2CC(c3ccc(F)nc3)=C[C@@H](C2)C1	95572737	GITHBFKKVBHLFE-MNOVXSKESA-N	232.302	2.576	0	1	BFAF	
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@H]1CCN(C)C2	148144404	FRFVAEJYMVMUNE-VHRBIJSZSA-N	231.339	2.620	0	1	BFAF	
OC[C@H]1CC=C(c2ccc(O)cc2)CC1	1857621409	MYAIQRNKPPZSBG-JTQLQIEISA-N	204.269	2.568	0	1	BFAF	
CC=C[C@@H]1CC(=O)c2cc(C)ccc2O1	2356404271	IVYSQWZFGQAYKB-SNVBAGLBSA-N	202.253	2.905	0	1	BFAF	
COc1ccc2c(c1)C[C]1C=CN(C)C=C1N2	2356841611	BXYSLKJOTBLNAX-UHFFFAOYSA-N	227.287	2.538	0	1	BFAF	
NC(=O)/C=C1\CCc2cc(Cl)cc(Cl)c21	27419538	IPFAAOXZQWBXKA-QPJJXVBHSA-N	242.105	2.808	0	1	BFAF	
CC(C)(CO)CCCOCCCC(C)(C)CO	28458334	HNQAWXUFVQFLCS-UHFFFAOYSA-N	246.391	2.600	0	1	BFAF	
CCCc1nn(C(C)=O)c2c1C(=O)CC(C)(C)C2	64448924	GHSWDPJKTAZHCX-UHFFFAOYSA-N	248.326	2.651	0	1	BFAF	
CO[C@H]1C=C[C@@H]2[C@@H]3C[C@H]4CCC[C@]3(C)[C@@]4(C)[C@@]12O	85545621	GPHREGVQROBXIU-FZPJYUBYSA-N	248.366	2.765	0	1	BFAF	biogenic,in-vitro
Oc1ccc(O)c(-c2nc3ccccc3o2)c1	103505353	MCCZNOFCAANQAP-UHFFFAOYSA-N	227.219	2.906	0	1	BFAF	
Cc1c(/C=C/C(=O)O)c(O)c2ccccc2c1O	169716751	NVZQDFSTTQUSFB-VOTSOKGWSA-N	244.246	2.657	0	1	BFAF	
CC(C)[C@]12CC[C@@H](C)[C@@H]3CC[C@](C)(O1)[C@@H](O)[C@@H]32	238741213	XAAYSDYYZSDWOP-QZOBBIQNSA-N	238.371	2.987	0	1	BFAF	
CC(=O)N[C@@]1(C)[C@H]2CC[C@@]3(C)N=C(C)[C@H]1C[C@H]3C2	263605683	QAZDHIAODBUACH-JARUQAPTSA-N	248.370	2.551	0	1	BFAF	
CCc1c(C(=O)O)nc2cccc3c2c1CC3	587215299	KXSZIUKUQYERGU-UHFFFAOYSA-N	227.263	2.594	0	1	BFAF	
COc1cccc2nc(CCOCC3CC3)[nH]c12	587783152	GXEXJCDWUJNFDN-UHFFFAOYSA-N	246.310	2.541	0	1	BFAF	
CCOc1cc(-c2cccc(F)c2)nn1C	587871367	GEIAEEZXVQPZGD-UHFFFAOYSA-N	220.247	2.625	0	1	BFAF	
O=C1N[C@H](Nc2ccccc2)C[C@H]2CCCC[C@H]12	618012071	VGMNCKGKWZCOTK-XBFCOCLRSA-N	244.338	2.751	0	1	BFAF	
CC[C@]1(CSC)NCCc2ccc(O)cc21	963341620	NPJXOSPLVROTFG-CYBMUJFWSA-N	237.368	2.506	0	1	BFAF	
C[C@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@@](C)(CO)O2	2356684157	KSWAXHCUYHGSQZ-ARSDKDGVSA-N	238.371	2.989	0	1	BFAF	
Oc1c2ccccc2nn1CCc1ccccc1	13820702	JQWPMUZUITZEDS-UHFFFAOYSA-N	238.290	2.985	0	1	BFAF	in-vivo
CC(=O)NC[C@H]1Cc2cccc3cccc1c23	13834459	MWMUHSCVSNAERX-CYBMUJFWSA-N	225.291	2.616	0	1	BFAF	
COc1ccc(Cc2ccccc2)cc1CCN	13864196	PQCQUVSQYBNAQF-UHFFFAOYSA-N	241.334	2.787	0	1	BFAF	
CC(C)(CC/C=C/C=C/C(=O)O)n1ccnc1	36242063	AMPPIFKKJKSPBS-BDWKERMESA-N	234.299	2.595	0	1	BFAF	
CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C	100733258	ZMAYVLNGIHEQKO-XFBWCDHKSA-N	245.366	2.936	0	1	BFAF	
C[C@@H]1[C@H](/C=C/c2ccoc2)ON2CCC[C@@H]12	195515958	BEQCVWNTRFMCAF-NUPATODVSA-N	219.284	2.707	0	1	BFAF	
C[C@H]1Oc2[nH]c3ccccc3c(=O)c2C1(C)C	238774038	TVKLXHLVUCZTKH-MRVPVSSYSA-N	229.279	2.587	0	1	BFAF	
CCSC1=NCC(=O)N1c1c(C)cccc1C	22381	MFCJXIQKBJMTRZ-UHFFFAOYSA-N	248.351	2.759	0	1	BFAF	
c1ccc2c(c1)Cc1cccc3c1[C@@H]2CNC3	13473107	HRGBJIPOLZMPKG-OAHLLOKOSA-N	221.303	2.826	0	1	BFAF	
Cc1ccc(OC2=CCN(C)CC2)cc1	13603035	UENZCOQDPFPVNR-UHFFFAOYSA-N	203.285	2.593	0	1	BFAF	
O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1	26751210	LHVRINJTNXVOIY-SDDRHHMPSA-N	234.320	2.873	0	1	BFAF	
c1ccc(Oc2ccc(OC[C@H]3CN3)cc2)cc1	27318923	JIOBYDXYKHIQDT-GFCCVEGCSA-N	241.290	2.830	0	1	BFAF	
CCCC[C@H]1[C@@H](O)CCC[C@@]12CCCCN2	28005285	YJEQGBHTTODACM-IHRRRGAJSA-N	225.376	2.850	0	1	BFAF	
COc1ccccc1[C@@H]1CCc2nc[nH]c2C1	40395557	QQOAUSLLNSKQPA-SNVBAGLBSA-N	228.295	2.691	0	1	BFAF	
C[C@@H](F)[C@H](N)c1nc2ccc(Cl)cc2[nH]1	587123292	INQWWIXZPVUJBU-ANLVUFKYSA-N	227.670	2.574	0	1	BFAF	
C[C@]1([C@H]2CCCN2)CCCCCCCC(=O)O1	2356442562	HXFUVYFNBRBBPM-TZMCWYRMSA-N	239.359	2.785	0	1	BFAF	
C[C@H](CO)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@H](C)[C@H]2C1	2356728998	ZPYVXPAWWQZYPQ-QFEQQRJNSA-N	240.387	2.828	0	1	BFAF	
C[C@H]1C[C@@H](C)C[C@@]2(O1)C(=O)Nc1ccccc12	66156384	PUASAJJEJHCSGU-BFVZDQMLSA-N	231.295	2.669	0	1	BFAF	
Cc1cc2ccc(=O)oc2cc1-n1cccc1	73195832	NQYVEFRDNVPNMU-UHFFFAOYSA-N	225.247	2.892	0	1	BFAF	
CC[C@@]1(C)SC(N(C)c2ccccc2)=NC1=O	103168438	LQMITHOQHFLBNJ-CYBMUJFWSA-N	248.351	2.921	0	1	BFAF	
C[C@@H](C(=O)O)c1c[nH]c2c(F)cc(F)cc12	103171750	HOPCVKDYTJHMQV-RXMQYKEDSA-N	225.194	2.634	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cccnc2[nH]1	586892734	VYHAHQOPULJJTL-UFBFGSQYSA-N	201.273	2.862	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(O)cc2[nH]1	586911110	KOHKWMBGBLCTPO-GXFFZTMASA-N	246.310	2.941	0	1	BFAF	
c1cc2c3c(cc(-c4cn[nH]c4)nc3c1)CC2	587212306	RXSNPFFTJNDLAG-UHFFFAOYSA-N	221.263	2.724	0	1	BFAF	
Oc1ccc(C23CCC(CC2)CO3)cc1	1857558619	OVFYYSKQYAJGRM-UHFFFAOYSA-N	204.269	2.808	0	1	BFAF	
C=CC=CCC[C@H](O)[C@@H](O)CCC=CC	2356532478	MJLQEGJBMARMTJ-STQMWFEESA-N	210.317	2.587	0	1	BFAF	
CC1=C2[C@H]3O[C@@]2(C[C@@H]2CCC[C@H](C)[C@]23C)OC1=O	2356544086	BXSYDOYJFXURHI-WDXVAPQVSA-N	248.322	2.801	0	1	BFAF	
C=CC1=C([C@H]2CO[C@@H]3OC(=O)C[C@H]23)CC(C)(C)C1	13436829	FZBGHAWOESBUMD-SCDSUCTJSA-N	248.322	2.825	0	1	BFAF	
CN1C[C@@H]2c3c(N)cccc3[C@H]1[C@H]1CCC[C@@H]21	27193422	JOOBQJINBSHFNJ-GOMXZESMSA-N	228.339	2.769	0	1	BFAF	
CSc1ccc2c(CCN(C)C)c[nH]c2c1	28771875	MPJJWNRFLZHFRQ-UHFFFAOYSA-N	234.368	2.994	0	1	BFAF	
C[C@@H]1CN=C(c2ccc(-c3ccccc3)o2)N1	35033796	BFCSKUXNFCRPQV-SNVBAGLBSA-N	226.279	2.685	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CCC[C@H](O)[C@@H]21	169369609	JPZCKUFDKXCMRK-VBNZEHGJSA-N	246.374	2.575	0	1	BFAF	
COc1cc2c(cc1C=C(C)C)CCC(=O)O2	238751703	BFYJTVKDVZZEFV-UHFFFAOYSA-N	232.279	2.970	0	1	BFAF	
CC1(C)CCC[C@]2(C)C(=O)[C@](C)(O)CC[C@@H]12	238755055	KXQDMRUVBISRKM-LEWSCRJBSA-N	224.344	2.933	0	1	BFAF	
CSCC(C)(C)c1nc2cccnc2[nH]1	586968632	GOXCYAKHWBOYIN-UHFFFAOYSA-N	221.329	2.599	0	1	BFAF	
N[C@H]1CC(=O)c2c1sc(Cl)c2Cl	1651591	JYVIFCPTXRVVQK-REOHCLBHSA-N	222.096	2.641	0	1	BFAF	
CN1CCC[C@H]1c1cc2ncccc2o1	3827980	BJFLPKJLIFUESE-JTQLQIEISA-N	202.257	2.595	0	1	BFAF	
C[C@@H](OCN1C=CN(C)/C1=C\N=O)C(C)(C)C	136840759	ZFCHOIXDYDKFFE-MXBGMFSPSA-N	239.319	2.679	0	1	BFAF	
C[C@@H](F)[C@@H](N)c1nc2ccc3c(c2[nH]1)CCCC3	587126061	VKIDCARAZFLJIP-PRHODGIISA-N	247.317	2.800	0	1	BFAF	
CC[C@H](C(C)C)[C@H]1c2c(cnn2C)CCN1C	963953623	BMGZDMSIDUCWDD-OCCSQVGLSA-N	235.375	2.631	0	1	BFAF	
CO[C@@H](C)c1ccc([C@@]2(C)CCC(=O)O2)o1	2356727771	SZAQCFVTESNVSH-QPUJVOFHSA-N	224.256	2.539	0	1	BFAF	
C[C@@H]1C[C@@H]2CC[C@@]34CCCN5CCC[C@@]23[C@@]5(C1)N4	2356784316	OAZOHRGEPYRUQB-CWVYHPPDSA-N	246.398	2.741	0	1	BFAF	
CCCN(CC)CCc1ccc(F)c(O)c1	26483402	QENBOHPMBXBKIA-UHFFFAOYSA-N	225.307	2.806	0	1	BFAF	
CN(C)C1CCC2(CC1)OCc1ccccc12	27705129	ZDHSDLIVAOUDBY-UHFFFAOYSA-N	231.339	2.916	0	1	BFAF	
Cc1coc2c(O)c3oc(=O)cc(C)c3cc12	49808590	YBSOPKOLTBENOH-UHFFFAOYSA-N	230.219	2.862	0	1	BFAF	
O=C1c2ccccc2OC[C@@H]1c1ccc(O)cc1	84604579	PEYYANKYYLJLQM-CYBMUJFWSA-N	240.258	2.751	0	1	BFAF	
C[C@@]12N[C@H](Cc3ccc(O)cc31)c1ccccc12	100649229	IQDJALWOLAOJAH-CVEARBPZSA-N	237.302	2.856	0	1	BFAF	
C=C(NC(C)=O)c1nc2ccc(Cl)c(C)c2[nH]1	587203934	QTTFLNNRZJJZPN-UHFFFAOYSA-N	249.701	2.632	0	1	BFAF	
CCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446489	XURCAJQUHYVVHT-QWRGUYRKSA-N	232.279	2.611	0	1	BFAF	
CCC=CC[C@H]1C(=O)CC[C@H]1CCC(=O)O	2356500481	UEAQWDUMMDCPBH-WDEREUQCSA-N	224.300	2.803	0	1	BFAF	
O=C(NCc1ccco1)[C@@H]1[C@H]2C=CCCCC[C@@H]12	1013494	ZZYJXLSLHDDCAV-BFHYXJOUSA-N	245.322	2.888	0	1	BFAF	
CC[C@H](C)C(=O)c1c(O)cc(OC)c(C)c1O	14593825	HDRPUFIQLCTRLW-ZETCQYMHSA-N	238.283	2.644	0	1	BFAF	biogenic
Cc1cc(C)nc(N(C)C(=O)c2ccccc2)c1	27632153	XVZGNYBZVSHVFZ-UHFFFAOYSA-N	240.306	2.975	0	1	BFAF	
CCCCOc1ccc2c(c1)CCc1nncn1-2	28525874	PXVKTQHHPJLGAQ-UHFFFAOYSA-N	243.310	2.545	0	1	BFAF	
COc1cc2c(cc1OC)[C@H]1[C@H](CCCN1C)C2	299830092	MJOABFWEIOVMIY-MEBBXXQBSA-N	247.338	2.643	0	1	BFAF	
C/C(=C\c1cc(-c2ccc(F)cc2)co1)C(N)=O	653740657	LPBGPCQEUBNZEX-RMKNXTFCSA-N	245.253	2.974	0	1	BFAF	
CC1(C)CCC[C@]2(C)C(=O)[C@@](C)(O)CC[C@H]12	2356673520	KXQDMRUVBISRKM-SWHYSGLUSA-N	224.344	2.933	0	1	BFAF	
COc1ccc2c(c1)[C@@H](c1c[nH]cn1)CCC2	13765319	IKGOFDYUYWMHRI-LBPRGKRZSA-N	228.295	2.887	0	1	BFAF	
CC1=C2c3cc(O)c(C)cc3[C@H](C)C[C@H]2OC1=O	15273822	JNBSQRJGTJOEJS-FUXBKTLASA-N	244.290	2.907	0	1	BFAF	biogenic
CCn1c([C@H]2C=CCC=N2)nc2cnccc21	169718870	XFZLZEKQDUDVTQ-SNVBAGLBSA-N	226.283	2.523	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1	586892785	WMXTXMZLOXQDRT-KSBSHMNSSA-N	236.706	2.862	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1	586892811	WUBFPWOMBJNPHZ-OTYXRUKQSA-N	242.326	2.751	0	1	BFAF	
CC1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@@H](C)[C@]2(O)CC1	2356326738	YSMIVLKCCCKQBB-UXXRCYHCSA-N	238.371	2.748	0	1	BFAF	
CCCN1CC[C@@H]2CC(=O)C[C@@H]3CCC[C@H]1[C@H]32	211062029	ZSGSKGCEZSNUNI-MYZSUADSSA-N	235.371	2.866	0	3	BFAF	
COc1ccc2cc(C=O)cc(OC)c2c1OC	14815377	DWBLTAMFRSBZJC-UHFFFAOYSA-N	246.262	2.678	0	1	BFAF	biogenic
CN(C)C1C=CN(Cc2ccccc2F)C=C1	2356856314	RZORYMRBKACWLH-UHFFFAOYSA-N	232.302	2.599	0	1	BFAF	
CCCCC1=C2NC(N)=N[C@H]3CC[C@H](C[C@@H]1C)[C@@H]23	13393229	MGZKFJKGMKJURC-JULQROHOSA-N	247.386	2.783	0	1	BFAF	
COc1cccc2c1[C@H](CN)c1ccccc1C2	40424552	MVQHAVPXHRGPMI-CQSZACIVSA-N	239.318	2.690	0	1	BFAF	in-vivo
CCC[C@@H](C)Nc1nc(N2CCCC2)ncc1C	82201795	RRHBVLXPAQLVPU-GFCCVEGCSA-N	248.374	2.986	0	1	BFAF	
CCc1nc2cc3c(cc2o1)[C@H]1CNC[C@H]3C1	100263949	WJCOITLYDIUVCM-RKDXNWHRSA-N	228.295	2.564	0	1	BFAF	
Cc1c(C)c2c(c(C)c1NC=O)CC(C)(C)O2	13652143	SBVCCJRPZIAALS-UHFFFAOYSA-N	233.311	2.894	0	1	BFAF	
C=C1C(=O)O[C@@H]2C[C@H](C)CCC(=O)C(C)=CC[C@H]12	14619447	YDOSHXAMLRSCKS-GAJTVXKRSA-N	248.322	2.810	0	1	BFAF	biogenic
Fc1ccc2c(c1)CC[C@@H]1[C@H]2N=C2SCCN21	28770740	HDQBMBJLYOGRAR-NEPJUHHUSA-N	248.326	2.600	0	1	BFAF	
N#Cc1ccc(-c2cncc3c2CC[C@@H]3O)cc1	205712304	XGZKGNWPOUPZNB-HNNXBMFYSA-N	236.274	2.600	0	1	BFAF	
CCCC1(c2nc3c(N)ccnc3[nH]2)CCC1	586877815	QWAYDCSFVSMHSU-UHFFFAOYSA-N	230.315	2.762	0	1	BFAF	
Cc1cc2c(cc1C[C@H](C)O)[C@H](C)[C@@H](O)[C@H](C)C2	2356323175	JHDZFWRABRBPFB-YRORDHRNSA-N	248.366	2.575	0	1	BFAF	
CC(C)N[C@@H]1CCCC[C@@H]2c3ccccc3[C@@]12O	17220254	JYLTYLGMYCSVSD-OAGGEKHMSA-N	245.366	2.912	0	1	BFAF	
Sc1cc(-c2ccccc2)nc2ccnn12	27705178	WJTYQVRKUUBLGD-UHFFFAOYSA-N	227.292	2.685	0	1	BFAF	
CCCN1CCC=C2c3ccccc3OC[C@H]21	27849158	RJOQHKDARNLTBC-CQSZACIVSA-N	229.323	2.947	0	1	BFAF	
CC(C)N1CCc2oc(-c3ccccn3)nc2C1	64541023	IPWJEZBHETUQOK-UHFFFAOYSA-N	243.310	2.503	0	1	BFAF	
CC[C@@H](C)CCOC(=O)c1cccnc1	87613183	APYGPUWKAUYTHT-SNVBAGLBSA-N	207.273	2.675	0	1	BFAF	
c1ccc(-c2ncc(-c3c[nH]cn3)cn2)cc1	118621935	ZXYVPUZOVLLLLT-UHFFFAOYSA-N	222.251	2.534	0	1	BFAF	
CCN1c2ccccc2[C@]2(CC)CCN(C)[C@@H]12	169368820	OSITUDRHKICEAS-GJZGRUSLSA-N	230.355	2.836	0	1	BFAF	
O=C1OCC(O)=C1c1ccc(Cl)cc1Cl	216411514	HNRUAWCIOYSKOP-UHFFFAOYSA-N	245.061	2.819	0	1	BFAF	
CC(=O)n1nc(C)c(-c2ccc(Cl)cc2)c1N	1857654973	LWQJIZFPXZDJKF-UHFFFAOYSA-N	249.701	2.754	0	1	BFAF	
O=C1CCC2=C(CCc3cc(Cl)ccc32)N1	13761806	HPNWYKAOJZXFSL-UHFFFAOYSA-N	233.698	2.907	0	1	BFAF	
C[C@H]1C[C@H]2C[C@@H](O)[C@H]3CCCN4CCC[C@H]2[C@]34C1	95884285	ICWQJNDZXVMLCK-KPRKPIBOSA-N	249.398	2.658	0	1	BFAF	
CC(C)(C)Nc1nc(O)c2sccc2n1	299857191	DUWGPNNLHLMKHC-UHFFFAOYSA-N	223.301	2.607	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C=C[C@]3(C)OCCC(=O)[C@H]23)C1	2356324556	RMXWBAZVHFTPRY-FPVZYODXSA-N	234.339	2.973	0	1	BFAF	
N=C1N(c2ccccc2)CCN1c1ccccc1	1765335	YCQASTCWGZVWEC-UHFFFAOYSA-N	237.306	2.948	0	1	BFAF	
NC1=N[C@H](c2ccccc2)Cc2ccccc21	4631318	NXQKWROQUYKWQS-AWEZNQCLSA-N	222.291	2.689	0	1	BFAF	
C[C@@H]1SCCc2nc3ccccc3n21	5544162	CJAPKFLFKHWZOA-QMMMGPOBSA-N	204.298	2.844	0	1	BFAF	
CC(=O)N1CC2(CC2)C[C@@H]1c1ccccc1	8607470	HZBDOUQXXHFSFS-CYBMUJFWSA-N	215.296	2.760	0	1	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@]3(O)C[C@@H](C)[C@@H]2CC1	14453926	RWJJVKLAZRADKP-BPYAMOTFSA-N	248.322	2.705	0	1	BFAF	biogenic
Cc1ccccc1-n1cc(Cl)ccc1=O	73311625	VIOUYWYDKKSQPU-UHFFFAOYSA-N	219.671	2.799	0	1	BFAF	
CC(C)[C@@H]1C[C@H](O)C[C@@H]2[C@H](C)CC[C@@H](C)N12	169672008	WPYIYVXSMXASQL-PEBLQZBPSA-N	225.376	2.655	0	1	BFAF	
O=C1C[C@@H](Sc2ccc(Cl)cc2Cl)N1	299871209	YBOQSSBXZHSTPU-SECBINFHSA-N	248.134	2.932	0	1	BFAF	
O=C1CCC[C@@H](c2nc3cccc(O)c3[nH]2)CC1	586886895	QTGDTSSPWZHSQS-SECBINFHSA-N	244.294	2.885	0	1	BFAF	
Cc1cc(F)c2[nH]c(C3CC4(COC4)C3)nc2c1	586917195	RLGXSJKUAUMFCY-UHFFFAOYSA-N	246.285	2.904	0	1	BFAF	
Cc1cncc2nc(C(F)(F)C(F)F)[nH]c12	587089577	UZFWEUQZPAIOOF-UHFFFAOYSA-N	233.168	2.623	0	1	BFAF	
CC(C)[C@@H]1CCC(CO)=C2CCC(CO)=C[C@H]21	13381052	CZLSMUFSIVAINC-ZFWWWQNUSA-N	236.355	2.670	0	1	BFAF	biogenic
C=CC1=C(C)[C@]2(C)C[C@@H](O)[C@@H](C)[C@]2(C)[C@H](O)C1	14657512	PDROKIQEFJBKSQ-DVLUHMITSA-N	236.355	2.667	0	1	BFAF	
Cc1cccc(NN2C(S)=N[C@H](C)[C@H]2C)c1	29327943	WKKUIGXNOHDZNU-NXEZZACHSA-N	235.356	2.700	0	1	BFAF	
c1ccc(N2CCC(N3CCCC3)CC2)cc1	103298445	LCAKFHXFWLOMOH-UHFFFAOYSA-N	230.355	2.751	0	1	BFAF	
N[C@@H]1C[C@@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12	103920979	PXBYQBLMVYZPGE-HCWXCVPCSA-N	243.203	2.711	0	1	BFAF	
C[C@H]1CCO[C@H](c2nc3cccc(O)c3[nH]2)C1	586917546	RTFOUODBNLCRDS-KWQFWETISA-N	232.283	2.756	0	1	BFAF	
COc1cc2c3c(c1)O[C@@H](C1(C)CC1)[C@@H](C2)C3=O	587445977	QUGRQTANNJFIDA-IINYFYTJSA-N	244.290	2.611	0	1	BFAF	
CC(C)Cc1ccc([C@H](C)NC(=O)NO)cc1	12348	VFUAHIKHBFPNJL-JTQLQIEISA-N	236.315	2.635	0	1	BFAF	in-vivo
COc1cc2c(OC)c3ccoc3nc2cc1O	5732842	UEDHWVHQNDCRFF-UHFFFAOYSA-N	245.234	2.704	0	1	BFAF	biogenic
CN1CC=C(Oc2ccccc2Cl)CC1	13603024	JDLYPZILYQQQRU-UHFFFAOYSA-N	223.703	2.938	0	1	BFAF	
CCCN1CCC[C@]12COc1ccccc1C2	13759910	KVWQUSCIHSGNTO-HNNXBMFYSA-N	231.339	2.866	0	1	BFAF	
CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(CO)=C[C@@H]21	14918513	LJOBBESYNHPUGI-UNQGMJICSA-N	238.371	2.748	0	1	BFAF	biogenic
CCCc1cncc(CCN(C)CC)c1	28526524	PJMFPDQNWJFIAI-UHFFFAOYSA-N	206.333	2.528	0	1	BFAF	
COC(=O)C/C=C1/c2ccccc2[C@H](OC)[C@H]1C	34148454	BAHWNFBCNAWEMW-SFZLUGTCSA-N	246.306	2.970	0	1	BFAF	
CCCCc1noc(C2=CC[C@H]3CC[C@H]2N3C)n1	100655075	HIHAAFSTCBQDDZ-CMPLNLGQSA-N	247.342	2.662	0	1	BFAF	
C[C@H]1[C@H](/C=C/c2ccoc2)ON2CCC[C@@H]12	195515959	BEQCVWNTRFMCAF-TZMSHDNASA-N	219.284	2.707	0	1	BFAF	
CO[C@H](C)[C@@H]1c2c(F)cccc2C[C@H]2CCCN12	963111044	QXHFOMHCZGYRRJ-IXPVHAAZSA-N	249.329	2.922	0	1	BFAF	
CC1(C)[C@H](O)CC[C@]2(C)[C@@H](C(=O)O)CCC[C@@H]12	2356645849	GVKOSTDVQZCJJT-FBKDDSFISA-N	240.343	2.675	0	1	BFAF	
CCCc1cc(=O)c2c(C(=O)OC)cccc2o1	2356716287	IPIFNMAPFARTJC-UHFFFAOYSA-N	246.262	2.532	0	1	BFAF	
O=C1CCC2(CC1)SCCCS2	1628780	XOGUYODJSCEVLO-UHFFFAOYSA-N	202.344	2.696	0	1	BFAF	
CC1(C)CC2=C([C@@H]1O)[C@@]1(C)CCC[C@@]1(C)C2=O	14445723	VPYSTMZLNKAVRU-CFVMTHIKSA-N	234.339	2.853	0	1	BFAF	biogenic
CC[C@@]1(C)SC(NC2CCCCC2)=NC1=O	14978686	HUSBDBOEELVCKP-GFCCVEGCSA-N	240.372	2.707	0	1	BFAF	
Cc1cc(C(=O)c2ccc(N)cc2)cc(C)c1N	27886818	QGAQPCVXJNLCSF-UHFFFAOYSA-N	240.306	2.699	0	1	BFAF	
CC1(C)C[C@@H]2/C(CO)=C/C=C[C@@]3(C)CC[C@]21O3	85597411	RWVYJGDLHSWPSM-OSMKXKNJSA-N	234.339	2.829	0	1	BFAF	
CC[C@]1(C(=O)NC(C)C)[C@H](C)C1(Cl)Cl	103297035	MISGYOHQVPVOLA-IONNQARKSA-N	238.158	2.731	0	1	BFAF	
N[C@H](N=O)c1ccc2nc(C3CCC3)[nH]c2c1	586884314	MSYVZPQVEKYSJS-LLVKDONJSA-N	230.271	2.554	0	1	BFAF	
CN1C=CN(COC2CCCCC2)C1=CN=O	1857571603	KBVAQVFKLSOLAQ-UHFFFAOYSA-N	237.303	2.577	0	1	BFAF	
OCC[C@H]1c2ccccc2-c2cnsc21	1857613277	AMYBCEDNAAWFOH-JTQLQIEISA-N	217.293	2.638	0	1	BFAF	
O=C(O)C=CC=CCCCCCCCC(=O)O	2356349122	SGRLVTREURDUFS-UHFFFAOYSA-N	240.299	2.999	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H](O)[C@@H](C)[C@]2(O)CC1	2356491710	OPICWDQWQDCFMW-QKGCVVFFSA-N	238.371	2.747	0	1	BFAF	
CC1=C2c3cc(C)c(O)cc3[C@H](C)C[C@H]2OC1=O	14445082	CNHPRYNNWGQLLZ-FUXBKTLASA-N	244.290	2.907	0	1	BFAF	biogenic
C=Cc1nccc2c3ccccc3n(OC)c12	14829563	CXIOSEMXFPKHOB-UHFFFAOYSA-N	224.263	2.891	0	1	BFAF	endogenous,in-man
CCCCCC[C@@H]1CC(=CN(C)C)C(=O)O1	17041133	RGMUXVLMWFRSEK-GFCCVEGCSA-N	225.332	2.718	0	1	BFAF	
COc1c(O)c(C)c(Cl)c(O)c1Cl	34482597	RMPNTWNXWLLVAD-UHFFFAOYSA-N	223.055	2.722	0	1	BFAF	
Cc1ccc(Nc2nc(C[C@@H](C)O)ns2)cc1	82052427	MZZNUGPMZFBTCJ-SECBINFHSA-N	249.339	2.513	0	1	BFAF	
Cc1cc(O)ccc1Cc1c(O)n[nH]c1C(C)C	95581651	XCIGCFACZQONRA-UHFFFAOYSA-N	246.310	2.844	0	1	BFAF	
CCC/C=C/COCN1C=CN(C)/C1=C/N=O	135895445	NRHXYIKYYQSKBM-NARAHQAKSA-N	237.303	2.601	0	1	BFAF	
Cc1ccc2c(c1)[C@@](O)(C(C)C)CCC2=O	147306232	MTSNNQKEEOCXOZ-AWEZNQCLSA-N	218.296	2.815	0	1	BFAF	
O=[S@]1C=C(N2CCCCC2)c2ccccc21	253678949	VJMTVDSAEXZNLY-INIZCTEOSA-N	233.336	2.592	0	1	BFAF	
C[C@H](F)[C@@H](N)c1nc2cc(Cl)cc(F)c2[nH]1	587126726	XUKSSKXSJFVMNP-RNHFCUEFSA-N	245.660	2.713	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1[C@@H](O)C[C@@]1(C)CCC[C@]2(O)C1	653700784	IWQJLGOXTOKUGR-OGMFBOKVSA-N	238.371	2.725	0	1	BFAF	
C[C@H]1CCC(=O)[C@@]2(C)CC[C@@H](C)C[C@]12O	2356711917	GAFZRJDKDAIBQD-DNIRFERGSA-N	210.317	2.543	0	1	BFAF	
Cc1cc(-c2c(C)cc(O)cc2O)oc1C(=O)O	2356799824	UWYDJALNSYOLDO-UHFFFAOYSA-N	248.234	2.673	0	1	BFAF	
C[C@H](N)Cn1ncc2ccc3sccc3c21	29124743	JYWSQDKPMFBFBA-QMMMGPOBSA-N	231.324	2.598	0	1	BFAF	
CCOC(=O)[C@@H]1Cc2ssc(=S)c2C1	53243057	APZCCORPJAWLPK-YFKPBYRVSA-N	246.378	2.817	0	1	BFAF	
CCn1c2occc2c(=O)c2cccc(OC)c21	85949196	NYRFIEXUGCQNIN-UHFFFAOYSA-N	243.262	2.776	0	1	BFAF	biogenic,in-vitro
CCN[C@H]1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@H]4C[C@H]3[C@@]12CC	196742474	JWACGMVTPOOTMF-ZGOWQCMFSA-N	217.356	2.523	0	1	BFAF	
COC(=O)C[C@H](C)Cc1nc2ccc(C)cc2[nH]1	587787004	UBRZRRHBCLBJNT-SNVBAGLBSA-N	246.310	2.613	0	1	BFAF	
CC1=C([C@](C)(O)CO)CCC2=CCC[C@@H](C)[C@@H]21	2356475905	UVGQAUJBBOTIHR-VCTAVGKDSA-N	236.355	2.813	0	1	BFAF	
CC1=C(N)N(Cc2ccc(F)cc2)[CH]C=C1	2356865093	BGLDAOIKCVOUQH-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
O[C@@]12CCC[C@@H](C1)SC(c1ccccc1)=N2	6579149	MXTATNQMWUVGBS-AAEUAGOBSA-N	233.336	2.811	0	1	BFAF	
O=C(/C=C/c1cccnc1)c1nc2ccccc2[nH]1	7135624	NWFPHRMGPFJGDZ-BQYQJAHWSA-N	249.273	2.854	0	1	BFAF	
CC1=CC[C@@]2(O)[C@@H](C1=O)[C@H](C(C)C)CC[C@H]2C	14918425	DTKVUCPWKSABCL-COMQUAJESA-N	236.355	2.955	0	1	BFAF	biogenic
CCc1cc(N2CCNCC2)c2ccccc2c1	28335820	MHYMDJBUBBVRCW-UHFFFAOYSA-N	240.350	2.812	0	1	BFAF	
C/C(=C/CC[C@@]1(C)[C@H]2CC[C@]1(C)[C@H](O)C2)CO	34567165	FUCSWNUANQRDFQ-TVQMTGCFSA-N	238.371	2.892	0	1	BFAF	biogenic,in-vitro
Cc1cccc2c1c1c(n2C)CC[C@@H](N(C)C)C1	39214090	WGORUJLQAFXUII-GFCCVEGCSA-N	242.366	2.906	0	1	BFAF	
C[C@@H]1Oc2c(Cl)cc(CC(=O)O)cc2[C@H]1C	169345388	SCZDGNHGDDSKQC-BQBZGAKWSA-N	240.686	2.852	0	1	BFAF	
CC[C@H](O)c1nc2ccc3ncccc3c2[nH]1	586901149	PFLLBGHNELKPDE-NSHDSACASA-N	227.267	2.555	0	1	BFAF	
Oc1nccc2nc(C3(F)CCCCC3)[nH]c12	587133119	XPELNSAZZLJNHX-UHFFFAOYSA-N	235.262	2.792	0	1	BFAF	
Cc1[nH]c2ccc(Cl)cc2c1[C@H](N)N=O	958520487	RELWPJZZGYQEEE-SNVBAGLBSA-N	223.663	2.853	0	1	BFAF	
Cc1c(N)c(C)c2c(c1CN(C)C)OC(C)(C)C2	13652072	KUIQZZYOKZSFEV-UHFFFAOYSA-N	248.370	2.661	0	1	BFAF	
CCCN1CC[C@H]2c3cccc(O)c3CC[C@@H]21	13826537	SHOJVFLWKSRVPH-JSGCOSHPSA-N	231.339	2.906	0	1	BFAF	
CC(=O)CCCc1cc2c(cc1C)[C@H](C)[C@@H](O)O2	14694228	HZTYYHWPJHBADJ-NHYWBVRUSA-N	248.322	2.721	0	1	BFAF	biogenic
COc1ccc2c(c1)[C@@]1(N)CC=CC[C@@H]1CC2	26150088	QBQJGSVGTBUOKQ-IUODEOHRSA-N	229.323	2.762	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(OC)nc2[nH]1	586893334	XJBGEEZAPDLOFV-AMIZOPFISA-N	231.299	2.870	0	1	BFAF	
N=C(N)Nc1ccc(-c2ccc(Cl)cc2)cn1	1857631905	OKPYNABSFLFIKQ-UHFFFAOYSA-N	246.701	2.707	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H]3[C@@H]21	338063	DWNPMJOWAWGIMM-RJHCMKNPSA-N	238.371	2.581	0	1	BFAF	
CC(C)CC1=N[C@H](c2ccccc2)OC1=O	3850379	KYMSVUGRBJTGBV-LBPRGKRZSA-N	217.268	2.729	0	1	BFAF	biogenic
COC(=O)/C=C\SC(=S)[C@H]1CCCC1=N	5575253	WMJRFIIGUVFVCH-UMWAEKEHSA-N	243.353	2.554	0	1	BFAF	
C[C@@H]1[C@@H](/C=C/c2ccoc2)ON2CCC[C@H]12	5811432	BEQCVWNTRFMCAF-MGNFRDLHSA-N	219.284	2.707	0	1	BFAF	
CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(F)cc12	13673565	QZFLFWOTDWFGFO-MWLCHTKSSA-N	232.302	2.972	0	1	BFAF	
CC1=C2CC3=C(C)C(=O)O[C@]3(O)C[C@@]2(C)CCC1	14452256	MLGOBEWPILAUFJ-HUUCEWRRSA-N	248.322	2.849	0	1	BFAF	biogenic
Cc1ccccc1[C@@H]1C[C@@H]1NC1CCC(N)CC1	149632745	VUUUJQSTZWEXHY-BGHVQYPCSA-N	244.382	2.710	0	1	BFAF	
CC(C)(O)Cn1nc2cc1Oc1ccc(F)cc1-2	587875022	MAFRYGBINLLJIZ-UHFFFAOYSA-N	248.257	2.566	0	1	BFAF	
COc1cccc2c(-c3ccnc(N)c3)c[nH]c12	1772645714	DVWQVRBTJYLYMN-UHFFFAOYSA-N	239.278	2.821	0	1	BFAF	
O=C(O)c1ccnc(-c2ccc3[nH]ccc3c2)c1	1772650343	CKSUJTZCEOIMQE-UHFFFAOYSA-N	238.246	2.928	0	1	BFAF	
CC1=C[C@@H]2[C@H](CC1)[C@H](C)C[C@@H](O)[C@@]2(O)C(C)C	2356639668	ZGSRWTHKVMRAML-KJWHEZOQSA-N	238.371	2.747	0	1	BFAF	
CC(=O)O[C@H](CCc1ccoc1)C(C)C	2356690997	TWTAEVQXEMVQFO-GFCCVEGCSA-N	210.273	2.800	0	1	BFAF	
CCOc1cccc(-c2cnc3cccnn23)c1	61926909	PDFZSGXEBZJDIM-UHFFFAOYSA-N	239.278	2.795	0	3	BFAF	
CC1(C)CCC[C@@]1(C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1	13412346	ARHSYZHJIIRPIL-DHMWGJHJSA-N	238.371	2.891	0	1	BFAF	
COc1ccc2c(c1)C1=C(CC2)CN(C)CC1	13455415	JDNIJSZDOQSPLS-UHFFFAOYSA-N	229.323	2.731	0	1	BFAF	
CC[C@@H]1CC[C@]2(CO2)[C@@H]2[C@@H](O)CC(C)=C[C@H]21	14615100	OWZXGEVKINNJST-QMVSFRDZSA-N	222.328	2.519	0	1	BFAF	biogenic
CCC[n+]1cccc2c1CC[C@H]1CC[C@H](O)C[C@@H]21	26261732	ZXASUIFTYKJPOW-VNHYZAJKSA-N	246.374	2.575	0	1	BFAF	
Cc1cc(S)n2nc(-c3ccccc3)cc2n1	27706150	QFAZBWHSPNRWGH-UHFFFAOYSA-N	241.319	2.993	0	1	BFAF	
Oc1cccc([C@@]23CCCN[C@@H](CC2)C3)c1	29254466	IXIRITGIJAZPRO-JSGCOSHPSA-N	217.312	2.566	0	1	BFAF	
CC1(C)OC(=O)C=C1CCc1ccccc1	38997397	ZIAVDCXUCPNTFB-UHFFFAOYSA-N	216.280	2.881	0	1	BFAF	
Cc1ccc(-c2cn([C@H]3CCCC3=O)nn2)cc1	66252551	MDFVZTUQGFEOCT-ZDUSSCGKSA-N	241.294	2.548	0	1	BFAF	
Cc1coc2c1[C@@H](O)[C@@]1(C)C(=CCC[C@@]1(C)O)C2	85767868	OKNQFKPGULYHTO-RBSFLKMASA-N	248.322	2.655	0	1	BFAF	
NC(=O)CCCCc1c[nH]c2c(F)cccc12	95601112	BTYVPLHHTGSGCG-UHFFFAOYSA-N	234.274	2.505	0	1	BFAF	
CN1[C@@H]2CC[C@@H]1[C@H](c1ccc(Cl)nc1)C2	100023137	HLNPMOXPJPCMLY-OUAUKWLOSA-N	222.719	2.685	0	1	BFAF	
C[C@@H]1[C@@H]2C[C@H]([C@@H](CN(C)C)[C@@H]2N=O)C1(C)C	169691338	ALIWULSNWCSCKU-IYKVGLELSA-N	224.348	2.611	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2cc(C)cnc2[nH]1	586914952	ZXPIYWYVMXUVNE-PWSUYJOCSA-N	245.326	2.939	0	1	BFAF	
Cc1c(F)ccc2nc(CCOCC3CC3)[nH]c12	587783435	BFAKCFJRFTUSJB-UHFFFAOYSA-N	248.301	2.980	0	1	BFAF	
COc1cc2nc(C=C3CCC3)[nH]c2cn1	587964624	DXILFIVRMCNDSP-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
CNc1cc(-c2ccc(N)cc2C)ccn1	1244373305	ZPTNQMWSEHBQED-UHFFFAOYSA-N	213.284	2.681	0	1	BFAF	
CC(=O)CCCC=CC[C@H]1OC(=O)C[C@@H]1C	2356486868	HOMZLLIQOYSYNB-CMPLNLGQSA-N	224.300	2.644	0	1	BFAF	
CC1(C)C[C@H](O)[C@]23CCC(=O)[C@@](C)(CC[C@@H]12)C3	2356775681	PPXUZWLSHJRKOK-LVGORTOPSA-N	236.355	2.933	0	1	BFAF	
CNc1nc(-c2ccoc2)nc2ccccc12	4239261	BSQDWWAIKQEXLX-UHFFFAOYSA-N	225.251	2.932	0	1	BFAF	
CNc1c2c(nc3ccccc13)CCC[C@H]2O	14946472	WETURUQUTKXZKR-GFCCVEGCSA-N	228.295	2.646	0	1	BFAF	
O=C1C[C@H](O)C[C@@H](c2cccc3ccccc23)O1	25978288	WWHHHEXXMKKKRD-RISCZKNCSA-N	242.274	2.579	0	1	BFAF	
c1cc2c3c(c([C@@H]4CCOC4)cnc3c1)CC2	587215721	LQGKQXSRNVJLIY-LLVKDONJSA-N	225.291	2.837	0	1	BFAF	
Clc1ccc2nc(CC3CC3)[nH]c2n1	587959024	KVSYUXZAUABTLN-UHFFFAOYSA-N	207.664	2.564	0	1	BFAF	
Cc1cc(C)c2nc(/C=C/C=C/C(=O)O)[nH]c2c1	587967009	FWMADVWZINBRFX-GGWOSOGESA-N	242.278	2.834	0	1	BFAF	
CCSCC[C@H]1NCCc2ccc(O)cc21	963343436	WBWJNURASTXYRQ-CYBMUJFWSA-N	237.368	2.722	0	1	BFAF	
CC1=C[C@H]2C[C@]3(O)OC(=O)C=C3C(C)(C)[C@@H]2CC1	15222209	FGUPQPDMAULLNU-RWSFTLGLSA-N	248.322	2.561	0	1	BFAF	
O=C1C(c2ccc(F)cc2)=[N+]([O-])c2ccccc21	45289595	IBWQOWGDHNPKGF-UHFFFAOYSA-N	241.221	2.653	0	1	BFAF	
O=c1c2ccccc2cc2n1[C@@H]1CCCC[C@@H]1N2	102013580	XXEFUOMEJQJRAP-QWHCGFSZSA-N	240.306	2.911	0	1	BFAF	
Cc1ccc(C)c2[nH]c(/C=C/C=C/C(=O)O)nc12	587967305	GUTZFHWFERMNRW-GGWOSOGESA-N	242.278	2.834	0	1	BFAF	
C=C=CCOc1ccc(/C=C\C(=O)OC)cc1	15205817	LUTXPQCBZWHPTG-YFHOEESVSA-N	230.263	2.593	0	1	BFAF	
c1ccc(C2=NO[C@@H]3CCCC[C@H]23)cc1	95574312	RSAWVZJBIQEIGU-NWDGAFQWSA-N	201.269	2.980	0	1	BFAF	
NO[C@@H](c1ccccc1)c1cc(F)cc(F)c1	1857609712	QKVLZYHOAXRKEM-ZDUSSCGKSA-N	235.233	2.945	0	1	BFAF	
CCCCCC[C@H](O)c1oc(C)cc(=O)c1O	1857770928	ZBRWWPRAZVSPIU-JTQLQIEISA-N	240.299	2.658	0	1	BFAF	
Cc1cc(C=Cc2ccccc2N)c(N)cc1N	2356307977	HXMNKJIBYIZHJO-UHFFFAOYSA-N	239.322	2.912	0	1	BFAF	
CC1=CC[C@H]([C@](C)(O)[C@@H]2C[C@H]2C(C)(C)O)CC1	2356326273	VTGQZIHVIHQHGP-JLNYLFASSA-N	238.371	2.891	0	1	BFAF	
CC(C)CCNC[C@H]1CCc2ccc(O)cc2O1	1895573	QUTOZVVXGBXVSP-CQSZACIVSA-N	249.354	2.722	0	1	BFAF	
NC(=O)C1=C(CCc2ccccc2)CCCC1	3847936	BZPLILOAGHHCDT-UHFFFAOYSA-N	229.323	2.975	0	1	BFAF	biogenic
CCCNc1nc2ccccc2n2cncc12	13441449	QERIAGHYQDKKRK-UHFFFAOYSA-N	226.283	2.704	0	1	BFAF	
NC1=N[C@@H](c2ccccc2F)Cc2ccccc21	25976117	XVFZTEAZCMAZMP-CQSZACIVSA-N	240.281	2.828	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)OCCO	33979287	JFKCVAZSEWPOIX-SDDRHHMPSA-N	244.331	2.593	0	1	BFAF	in-man
C/C=C/C=C/[C@@H](O)C(F)(F)C(=O)C(C)(C)C	95584640	MJKTVZAPVZOHSG-XZCCIUBQSA-N	232.270	2.730	0	1	BFAF	
CCN[C@H]1[C@H]2[C@@H]3[C@@H]4C[C@@H]5[C@H]3C[C@H]2[C@@H]5[C@]41CC	169358978	JWACGMVTPOOTMF-ICNLVGEZSA-N	217.356	2.523	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1	586917176	NFZXAXLYKHDZEY-WDGYUPOISA-N	246.163	2.579	0	1	BFAF	
COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1C)[C@@H](C2)C3=O	587447034	KHGQLRFOZKGQSM-PEGZWESCSA-N	244.290	2.611	0	1	BFAF	
COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCO1	13517769	DTGCWKSRSZRKRD-QWHCGFSZSA-N	234.295	2.512	0	1	BFAF	
Cc1cc2nc3[nH]c(=O)[nH]c3cc2c(C)c1Cl	13824595	GYPSSORWUVEFFW-UHFFFAOYSA-N	247.685	2.675	0	1	BFAF	
C1=C(Oc2ccccc2)CC[N+](C2CC2)=C1	27197443	FAOULGVSURRVDD-UHFFFAOYSA-N	214.288	2.599	0	1	BFAF	
CC1=C2C(=CCC1)CC[C@H]1[C@H](C)C(=O)O[C@H]21	40864755	NVKPIHNJIZGFRA-GAFUQQFSSA-N	218.296	2.995	0	1	BFAF	
C[C@@]12N[C@H](Cc3cc(O)ccc31)c1ccccc12	100649111	YFQXIMCPJVXWDV-HZPDHXFCSA-N	237.302	2.856	0	1	BFAF	
COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@@H]1O2	101024789	WCWYQSBRFMSVQV-AAEUAGOBSA-N	244.290	2.565	0	1	BFAF	
CC[C@H](O)c1nc2ccc3nc(C)ccc3c2[nH]1	586900453	KCUYLLHYDBFPNF-LBPRGKRZSA-N	241.294	2.863	0	1	BFAF	
Oc1nccc2[nH]c(-c3ccc(Cl)cc3)nc12	587070765	WSUAFZQIOXQDJA-UHFFFAOYSA-N	245.669	2.984	0	1	BFAF	
C1=C[C@@H]2N=C(c3ccncc3)c3cccn3[C@H]2C=C1	1857596764	MGNSPDWMLCRWRT-KBPBESRZSA-N	247.301	2.770	0	1	BFAF	
C[C@H]1C[C@@H](O)CCCCC=CCCCC(=O)O1	2356697407	PJUSYCAFQVDQIH-STQMWFEESA-N	240.343	2.970	0	1	BFAF	
C[N@@]1[C@@H](c2cc(O)nc3ccccc23)C1(C)C	2356718157	MVNPXYACAWOCTC-BBRMVZONSA-N	228.295	2.706	0	1	BFAF	
CC1(C)[C@@H]2C[C@](C)(O)[C@H]3CCC[C@](C)(O)[C@@H]3[C@@H]21	2356761349	AYOFBMBGDXCIQI-ZVUGODGUSA-N	238.371	2.581	0	1	BFAF	
C[C@@H]1C[C@@H](CN(C)C)C(=O)c2ccccc21	5735910	BMYUJTNCCMBFCL-MNOVXSKESA-N	217.312	2.554	0	1	BFAF	
Cc1ccccc1-c1nnc(N(N)C(C)C)s1	26385770	UXVZRKFSYKOGEW-UHFFFAOYSA-N	248.355	2.602	0	1	BFAF	
CNC(=O)N/C=C/c1cccc2ccccc12	95593793	QNLJQPKYKLSGHZ-MDZDMXLPSA-N	226.279	2.740	0	1	BFAF	
FC(F)(F)c1cccc2c1[C@H]1CNC[C@H]2C1	101032418	YLTIOICAHCAKID-HTQZYQBOSA-N	227.229	2.880	0	1	BFAF	
COC(=O)c1ccc2c(c1)OC(C)(C)C=C2	103176102	LDUOTBSWPTXPCM-UHFFFAOYSA-N	218.252	2.657	0	1	BFAF	
c1nc(N2CC[C@@H]3CCCC[C@H]32)c2cc[nH]c2n1	195463875	JKLNAJIHZIIHPB-CMPLNLGQSA-N	242.326	2.727	0	1	BFAF	
COc1cc2c3c(c1)OC1(CC(C)C1)[C@@H](C2)C3=O	587447327	QEAQLHZJLJZLLD-DYNOMCFFSA-N	244.290	2.611	0	1	BFAF	
CCCc1ccccc1[C@@H](C)OC1=NCCN1	45301115	CKZOGIXOGHVXNW-LLVKDONJSA-N	232.327	2.676	0	1	BFAF	
O=C1C=CC[C@@H](c2ccnc3ccccc23)O1	72139703	UPIABDYRGTWZKX-ZDUSSCGKSA-N	225.247	2.779	0	1	BFAF	
CCc1cccn1S(=O)(=O)c1ccccc1C	95597437	FEIWPVCYNPLLBI-UHFFFAOYSA-N	249.335	2.596	0	1	BFAF	
O[C@H]1CC[C@@H](c2nc3cccc(F)c3[nH]2)CC1	586899203	NLOFCGZCOIWUSH-DTORHVGOSA-N	234.274	2.721	0	1	BFAF	
COC(=O)C=Cc1ccc2c(c1)CCC(C)(C)O2	2356377774	LJVHTBSSXIJSNU-UHFFFAOYSA-N	246.306	2.976	0	1	BFAF	
COc1ccc2c(c1)CCC[C@H]2c1c[nH]cn1	21284	PDZOBADSVBKQKE-CYBMUJFWSA-N	228.295	2.887	0	1	BFAF	
Cc1cccc2nc(NCCC(C)C)oc(=O)c12	27548241	SLSVUBHCQIJGCZ-UHFFFAOYSA-N	246.310	2.954	0	1	BFAF	
S=c1ssnc1-c1ccccn1	40874896	ZUIAYOSSPICPCA-UHFFFAOYSA-N	212.324	2.996	0	1	BFAF	
COc1ccccc1C1=NO[C@@H]2CCCC[C@@H]12	95580612	JETSYCZGLULXST-DGCLKSJQSA-N	231.295	2.988	0	1	BFAF	
CC(C)Oc1cccc(OC(C)C)c1CN	103267468	IQLJYRVOZQERBH-UHFFFAOYSA-N	223.316	2.720	0	1	BFAF	
CCn1c(-c2ccncc2)nc2cnccc21	217879434	WBPBRVGKZKRPSZ-UHFFFAOYSA-N	224.267	2.513	0	1	BFAF	
CC1(C)C[C@H](O)[C@@]2(C)CC[C@@H](O)[C@]3(C)C[C@@H]3[C@H]12	238730692	CTSRAGZCFQXLJB-QSYFAPPXSA-N	238.371	2.581	0	1	BFAF	
COc1ccc(/C=C/c2cc(C)n[nH]2)cc1	299863371	LBNDJMOGFYWVQY-ZZXKWVIFSA-N	214.268	2.897	0	1	BFAF	
CC1(C)[C@H]2CC[C@@]3(C)O[C@@H](CC(=O)C2)C[C@@H]13	2356383621	SGUJEWUZYZMING-QVSJOPQTSA-N	222.328	2.949	0	1	BFAF	
COc1cc(-c2ccc(O)cc2)cc(OC)c1O	13377091	KMMVLPSUFLSVAH-UHFFFAOYSA-N	246.262	2.782	0	1	BFAF	biogenic
Cc1ccc2c(c1)C=C(C[C@@H]1CN=CN1)CC2	13862067	CARKHHAGVCVTHK-OAHLLOKOSA-N	226.323	2.715	0	1	BFAF	
Cn1cc(-c2ccc3oc(C(=O)O)cc3c2)cn1	71282421	YVLOAUNTFMOROX-UHFFFAOYSA-N	242.234	2.532	0	1	BFAF	
Cc1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1	586901132	PLIWXQSPPPIFGN-LBPRGKRZSA-N	218.300	2.951	0	1	BFAF	
O=C1CCC[C@H]([C@@H]2C[C@H]2c2ccccc2)O1	1772635579	HCUZSUWEMNNKAZ-YNEHKIRRSA-N	216.280	2.886	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CC[C@H]1O	147026066	SFJOMLIUSIKKRA-FMKNKJFCSA-N	238.371	2.725	0	1	BFAF	
CCCCO[C@H](CC)O[C@@H](C)CO[C@@H](O)CC	169305068	RNFAKTRFMQEEQE-XQQFMLRXSA-N	248.363	2.689	0	1	BFAF	
CC1=CC[C@]2(C[C@@H]1O)[C@H](C)C[C@@H](O)[C@@H]2C(C)C	2356617166	TUNSMPIPYQKPSQ-MRLBHPIUSA-N	238.371	2.747	0	1	BFAF	
CCCCCC=CCC[C@@H](O)CC(=O)O	2356648762	PCZWZQDPYMZGMC-LLVKDONJSA-N	214.305	2.739	0	1	BFAF	
CCCN1CC[C@H]2CC(=O)C[C@@H]3CCC[C@@H]1[C@@H]32	206955375	ZSGSKGCEZSNUNI-VIRABCJISA-N	235.371	2.866	0	3	BFAF	
CC1=C(CC[C@H](C)O)C(C)(C)C[C@H](O)C1	14587811	HFQNROGZQRGTGP-WDEREUQCSA-N	212.333	2.645	0	1	BFAF	biogenic
CC(=O)C=C[C@H]1CC(C)(C)C[C@@H](C)C1=O	14680593	JWDKMWGLQKDKBL-KOLCDFICSA-N	208.301	2.773	0	1	BFAF	biogenic
C/C=C/[C@@H]1C[C@H](O)c2cc(C)ccc2O1	39205794	VQTRDZXQXYYUPP-YGEYTSGZSA-N	204.269	2.756	0	1	BFAF	
COc1ccccc1[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CN	261171802	TWQYJZHCEIXHSD-MEDZGJRSSA-N	231.339	2.784	0	1	BFAF	
CCCCCCOCN1C=CN(C)C1=CN=O	1857539423	GTAAATRYBZPXRU-UHFFFAOYSA-N	239.319	2.825	0	1	BFAF	
Cc1cc2c(cc1C[C@H](C)O)[C@H](C)[C@H](O)[C@H](C)C2	2356323174	JHDZFWRABRBPFB-KZTGVZKYSA-N	248.366	2.575	0	1	BFAF	
C[C@]12CCC[C@@](C)(CO)[C@H]3[C@@H]1CC[C@@]2(C)[C@@H]3O	2356723371	GJIFFFJEPUFSMW-LOVFCKMRSA-N	238.371	2.582	0	1	BFAF	
CCN(CC)[C@@H]1CCc2cccc(OC)c2C1	13530047	FZRSAZJCXVFEPJ-CYBMUJFWSA-N	233.355	2.894	0	1	BFAF	
CC1=CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12	15208102	FQTDJSUKIPVNPW-KHMAMNHCSA-N	238.371	2.747	0	1	BFAF	biogenic
Cc1cc(F)c2[nH]c([C@@H]3CCOC3)nc2c1	586911353	HMCODAQJDQMORY-MRVPVSSYSA-N	220.247	2.514	0	1	BFAF	
Fc1cc(F)c2[nH]c(C3=COCC3)nc2c1	586912661	JRFHLJLILZSVHI-UHFFFAOYSA-N	222.194	2.602	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3C[C@H]31)O2	587402876	AREKPQBSDPDGIM-ISOBSLSZSA-N	243.306	2.711	0	1	BFAF	
CCCCCCc1cnc2nc(O)nc(O)c2c1	587562326	WPUBAEAILREXSA-UHFFFAOYSA-N	247.298	2.559	0	1	BFAF	
CC1=C[C@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@]2(O)CC1	14956542	DGARKVOVVYYTKH-ZQDZILKHSA-N	238.371	2.891	0	1	BFAF	biogenic
CCCCCC[C@@H]1C[C@H]2CC(=O)O[C@H]2O1	34503377	JCLHTYWURHGXCK-HOSYDEDBSA-N	212.289	2.635	0	1	BFAF	
Cc1c(C=O)c2ccccc2n1CCCN(C)C	40952810	VAGRUBLNUWEUCU-UHFFFAOYSA-N	244.338	2.714	0	1	BFAF	
Cc1ccccc1CSc1c[nH]c(=O)c(O)c1	206400080	CDOIHPRZYSDPDB-UHFFFAOYSA-N	247.319	2.681	0	1	BFAF	
CCC[C@@H]1OC(=O)c2ccc(OC)cc21	211650683	PZXQSCMHROVBFY-NSHDSACASA-N	206.241	2.707	0	1	BFAF	
BrC1=C[C@@H](C2CCCCC2)ON1	225642238	QCDCZTOQLBAGAQ-QMMMGPOBSA-N	232.121	2.706	0	1	BFAF	
C[C@@H](SC[C@@H]1CC[C@H]2C[C@H]1C2(C)C)C(N)=O	299815287	NKUFVXRKKRVOQA-VPOLOUISSA-N	241.400	2.666	0	1	BFAF	
CC(C)Oc1ccc2nc([C@H](N)C3CC3)[nH]c2c1	587255507	ISGMXPQMWXGWNJ-CYBMUJFWSA-N	245.326	2.760	0	1	BFAF	
CCCC=CCCCC[C@@H](O)[C@@H](C)NC(C)=O	2356674917	YNBJXCBPPYCLMH-TZMCWYRMSA-N	241.375	2.789	0	1	BFAF	
NCc1cc(-c2ccc(C(=O)O)cc2)ccc1F	13642069	SNZQVDMPPKRQCA-UHFFFAOYSA-N	245.253	2.650	0	1	BFAF	
Cc1ccc(C(C)C)c2c1C(=O)[C@@H](O)[C@@H](C)C2	14445124	ZLJFAKPVJPQXDI-HZMBPMFUSA-N	232.323	2.854	0	1	BFAF	biogenic
CC[C@@H](C)C(=O)c1c(O)cc(OC)c(C)c1O	14593824	HDRPUFIQLCTRLW-SSDOTTSWSA-N	238.283	2.644	0	1	BFAF	biogenic
COc1cc2c(cc1OC)[C@H]1CC[C@@H]2N1N=O	71330477	ARPRXARBVQZNJI-AOOOYVTPSA-N	234.255	2.577	0	1	BFAF	
Cc1ccc2cc3c(cc2n1)[C@@H]1CNC[C@@H]3C1	101031445	ZESXLBONCPGUND-RYUDHWBXSA-N	224.307	2.717	0	1	BFAF	
COc1coc2c1c(O)cn2Cc1ccccc1	142865557	QZCIEKKDOQKJCZ-UHFFFAOYSA-N	243.262	2.997	0	1	BFAF	
Oc1cc2c(cc1Cl)C[C@@H]1CCCN[C@@H]21	299832890	XHDNAIUOGWZVTP-JVXZTZIISA-N	223.703	2.642	0	1	BFAF	
COc1cc2nc(C3=CCCC3)[nH]c2cn1	586883760	LFKUEQWEXJWDDC-UHFFFAOYSA-N	215.256	2.534	0	1	BFAF	
Fc1ccc(-c2cccc3ncnn23)cc1	1239474350	OPMZHMRFHJURFR-UHFFFAOYSA-N	213.215	2.535	0	1	BFAF	
Oc1n[nH]c2c1C1C[C@@H]3CC2C[C@@H](C1)C3	1857769330	JRMQITYHHNILOM-PZYMCFGQSA-N	204.273	2.506	0	1	BFAF	
COc1ccc(C(C)=O)cc1C=CC(C)(C)O	2356520067	YODPVTWQOQASPC-UHFFFAOYSA-N	234.295	2.682	0	1	BFAF	
NC(=O)c1cccc2c1Nc1ccccc1N2	14651191	MGGYDPTZXGZDOD-UHFFFAOYSA-N	225.251	2.586	0	1	BFAF	biogenic
CC[C@H](C)CNc1nc2cccc(C)c2c(=O)o1	27526711	HKYMJMGAGKAVQD-VIFPVBQESA-N	246.310	2.954	0	1	BFAF	
COc1cccc(/C=C/[C@]2(C)C=CC(=O)O2)c1	96921252	FWALQFUNQODNSL-IZPAUZPXSA-N	230.263	2.580	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)OCCO	100779844	JFKCVAZSEWPOIX-SRVKXCTJSA-N	244.331	2.593	0	1	BFAF	endogenous,in-man
Nc1ccnc2[nH]c(-c3ccoc3C3CC3)nc12	586900901	GGUHJSFMGWPBAN-UHFFFAOYSA-N	240.266	2.678	0	1	BFAF	
N=c1cc2[nH]c(-c3ccc(Cl)cc3)nc2c[nH]1	587068442	ALLNSLUFPRTQJO-UHFFFAOYSA-N	244.685	2.691	0	1	BFAF	
CC[C@@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	587956757	VYPZYKKETUWCMT-MRVPVSSYSA-N	243.310	2.961	0	1	BFAF	
O=C(O)c1cccc2nc(C=C3CCC3)[nH]c12	587964610	DVNPOHQUAZGTQQ-UHFFFAOYSA-N	228.251	2.828	0	1	BFAF	
C[C@H]1C(=O)CC[C@@]12NCCc1cccc(Cl)c12	963390182	GNTJDGPAHUGRKQ-LKFCYVNXSA-N	249.741	2.680	0	1	BFAF	
O=C(O)c1[nH]c2ccccc2c1-n1cccc1	6751093	MTRVSNNAIFLRCY-UHFFFAOYSA-N	226.235	2.657	0	1	BFAF	
CC1(C)c2cc(O)ccc2CC[C@H]1NCC1CC1	13583901	KKWFCINPWIRORD-OAHLLOKOSA-N	245.366	2.984	0	1	BFAF	
CC(C)(C)c1ccc2c(c1)C[C@]1(CC2)CN=CN1	13743756	GLCAMMMPZRDWJJ-MRXNPFEDSA-N	242.366	2.843	0	1	BFAF	
COC(=O)/C=C/[C@H]1c2ccccc2[C@@H](OC)[C@H]1C	13783108	CMKYBWAWPBVWFW-SPFYMYCYSA-N	246.306	2.837	0	1	BFAF	
O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1	26751540	JYGJKZKLNWLLRD-AGIUHOORSA-N	216.280	2.571	0	1	BFAF	
O=C(Nc1ccccc1)O[C@@H]1C[C@@H]2CCC[C@@H]1N2	100832800	BLXVLQQWVJDBTF-RWMBFGLXSA-N	246.310	2.518	0	1	BFAF	
O=C(CCl)c1cc2cc(O)[nH]c2cc1Cl	225421961	OWMVZXHHUYEOMR-UHFFFAOYSA-N	244.077	2.948	0	1	BFAF	
CCC(=O)CC[C@H]1CC=C(C(=O)OC)CC1	238748529	ZBXYEAGDLJTEFW-JTQLQIEISA-N	224.300	2.645	0	1	BFAF	
CC(C)(O)/C=C/C[C@]1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2	238760560	ZPMZHEDPVXDYLL-RTGXRDSESA-N	238.371	2.891	0	1	BFAF	
COc1ccc(/C=C/c2ncccn2)cc1	653753988	KOFVCHNNWZGGKN-VMPITWQZSA-N	212.252	2.656	0	1	BFAF	
CC[C@H](C)OC(=O)C[C@H](C)C(=O)O[C@H](C)CC	2356329221	YJJLDYAUGTVVPM-GARJFASQSA-N	244.331	2.696	0	1	BFAF	
CC1(C)O[C@]2(C)C[C@H]3CC[C@H](CO)[C@@H](C2)[C@H]31	2356614594	AHUCWEUMKLDGDH-MPLKPFFPSA-N	224.344	2.599	0	1	BFAF	
CC1=C[C](N)N(Cc2ccccc2C)C=C1	2356846498	PBPNLWYPZIKDGU-UHFFFAOYSA-N	213.304	2.719	0	1	BFAF	
C[C@H]1Oc2c(O)cc3ccc(=O)oc3c2C1(C)C	14613606	MFPPRIPAMLQSNI-SSDOTTSWSA-N	246.262	2.557	0	1	BFAF	biogenic
Cc1coc2c1[C@H](O)[C@@]1(C)C(=CCC[C@@]1(C)O)C2	15221130	OKNQFKPGULYHTO-RRFJBIMHSA-N	248.322	2.655	0	1	BFAF	biogenic
FC(F)O[C@@](F)(Cl)C(F)(F)F	40915943	SBASELMSUQKBDN-UWTATZPHSA-N	202.481	2.650	0	1	BFAF	
CCCCN1CCc2cc(OC)c(O)cc2C1	40979541	YWRJHSKIHNKJIR-UHFFFAOYSA-N	235.327	2.559	0	1	BFAF	
COc1cccc2c1CC[C@H]1[C@H]2[C@@H]1c1cnc[nH]1	137380900	ZJLGJEJGRRINJB-CQDKDKBSSA-N	240.306	2.862	0	1	BFAF	
C[C@H]1CC[C@H]2C(C)(C)C(=O)[C@]3(C)C[C@H](O)[C@]12C3	13382503	DDUWSZBURGHFEW-LYEQHPFYSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
NC1=N[C@H](c2ccc(F)cc2)Cc2ccccc21	13911320	KWMGDJOVVNCHIR-AWEZNQCLSA-N	240.281	2.828	0	1	BFAF	
Cc1ccc([C@](O)(c2cncnc2)C(C)C)s1	28767246	MJWVBTNHZOPCEG-CYBMUJFWSA-N	248.351	2.738	0	1	BFAF	
CN1C[C@]23Cc4ccc(O)cc4[C@@](C)(CC[C@H]12)C3	100768740	HUBOTCKKRXYMHW-HRCADAONSA-N	243.350	2.690	0	1	BFAF	
C[C@H]1C[C@]2(C)C[C@H](Cc3ccccc32)N1C	103024120	UUIHLUKORNVGJW-CORIIIEPSA-N	215.340	2.983	0	1	BFAF	
Oc1cccc(C2=NOCc3ccccc32)c1	103185944	ORWYCUPAPJMRCR-UHFFFAOYSA-N	225.247	2.675	0	1	BFAF	
Clc1cc2c(cn1)[C@H]1C[C@H]3CC[C@H]1N3C2	137548506	QNJFYQBMHLYGPU-FXPVBKGRSA-N	220.703	2.569	0	1	BFAF	
Cc1cc(C)c2[nH]c(C3=COCC3)nc2c1	586914024	YVPQDVQXMQDTEV-UHFFFAOYSA-N	214.268	2.941	0	1	BFAF	
CCCCN1C(S)=NC[C@@H]1[C@@H](C)CC	15952979	WQKKLALCOPZDFO-VHSXEESVSA-N	214.378	2.803	0	3	BFAF	
C[C@H]1[C@@]2(C)CC[C@@H]3[C@H]2CC[C@@]1(C)O[C@@]3(C)O	3653041	KWEHQSJHTLFZSW-YHBOFVJASA-N	224.344	2.946	0	1	BFAF	
CC(=O)CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C	17187153	QSVQIPXQOCAWHP-RTXFEEFZSA-N	240.343	2.970	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)[C@@H](O)C[C@H]2C(C)C)[C@H](O)C1	169646487	CPFGTXNXFPHSEY-XDQVBPFNSA-N	236.355	2.667	0	1	BFAF	
C[C@H]1C[C@@H](C)C[C@]2(O1)C(=O)Nc1ccccc12	195426186	PUASAJJEJHCSGU-ISTVAULSSA-N	231.295	2.669	0	1	BFAF	
CC[C@@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1	587955861	LOVUYFFERNIDJU-RXMQYKEDSA-N	244.220	2.837	0	1	BFAF	
C[C@H]1CCCc2cc(O)c([C@@H](C)CO)cc21	2356563904	DKBQCOYMWZZNQT-UWVGGRQHSA-N	220.312	2.928	0	1	BFAF	
CC(C)C=C1CN2CCCC[C@@H]2[C@@](C)(O)C1	2356744766	IDHCJVREQNIIJH-KGLIPLIRSA-N	223.360	2.578	0	1	BFAF	
Nc1ccccc1/N=c1/ssnc1Cl	100432668	QPIGZOLUJQKPPR-DHZHZOJOSA-N	243.744	2.673	0	1	BFAF	
COC(=O)c1ccc(OC)c2c1OC(C)(C)C=C2	103183034	BUWAHMOFPHKQKA-UHFFFAOYSA-N	248.278	2.666	0	1	BFAF	
CCCc1nc(C)nc(NCc2ccccc2)n1	103285235	CSVSYYIHOUTTIS-UHFFFAOYSA-N	242.326	2.745	0	1	BFAF	
Fc1ccc([C@@H]2CN3CCCC[C@@H]3CO2)cc1	169315877	XZQRNKQLLRVHGP-KGLIPLIRSA-N	235.302	2.752	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(C)CC=CC[C@@H](C2)[C@@H]1N	169329028	IMZCXDAWHSYGNU-VBNZEHGJSA-N	243.350	2.803	0	1	BFAF	
CC(=O)c1ccc2nc(C3=COCC3)[nH]c2c1	586913203	ODKHZZIDFSZWSC-UHFFFAOYSA-N	228.251	2.527	0	1	BFAF	
O=C1N[C@H](Nc2ccccc2)C[C@H]2CCCC[C@@H]12	618012059	VGMNCKGKWZCOTK-BNOWGMLFSA-N	244.338	2.751	0	1	BFAF	
Cc1cc([C@H]2NCCc3cc(C)c(F)cc32)on1	962089379	GQMPUJGVOILLLB-AWEZNQCLSA-N	246.285	2.666	0	1	BFAF	
CC1=CC(=CCC[C@@H](C)O)CN2CCCC[C@@H]12	2356806629	AHEJLXVLILVPHL-HIFRSBDPSA-N	235.371	2.888	0	1	BFAF	
Oc1cccc(/C=C/c2cc(O)ccc2O)c1	72116200	PPSQOMIGLYTONI-SNAWJCMRSA-N	228.247	2.974	0	1	BFAF	
Clc1ccc2c(n1)CC[C@@H]1[C@@H]3CC[C@@H](N3)[C@@H]21	169342173	YFIIBDQLLAQNAF-DKRZYWPISA-N	234.730	2.515	0	1	BFAF	
CC(=O)Nc1cc2c(cn1)[nH]c1ccccc12	25307	JZIFOHJMLBAWQZ-UHFFFAOYSA-N	225.251	2.675	0	1	BFAF	in-vivo
C1=NC[C@]2(CC[C@@H]3Cc4ccccc4C[C@H]3C2)N1	13916615	BAMMEMQIAYAJNE-OWCLPIDISA-N	240.350	2.572	0	1	BFAF	
C[C@@H]1CCC[C@]2(O)C(=O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C	14443025	HKWIVTLSWOJNKM-YGHJJULASA-N	236.355	2.789	0	1	BFAF	biogenic
O=C(COc1ccccc1)COc1ccccc1	15115340	GJXXDQBMNMSDNT-UHFFFAOYSA-N	242.274	2.714	0	1	BFAF	
COc1cc(CCN)c(OC)c2c1[C@H]1CC[C@@H]2C1	27212927	ASPWVWSIJQTXDB-VHSXEESVSA-N	247.338	2.570	0	1	BFAF	
CCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1	29128570	PQAHBIHHTYVGJJ-UHFFFAOYSA-N	230.311	2.641	0	1	BFAF	
O=C(NCc1ccco1)[C@@H]1[C@@H]2C=CCCCC[C@H]21	230149203	ZZYJXLSLHDDCAV-MGPQQGTHSA-N	245.322	2.888	0	1	BFAF	
CCC[C@@H](C)c1cc(OC(=O)N(C)C)no1	299871739	ZDDCMTYREBAVTH-MRVPVSSYSA-N	226.276	2.639	0	1	BFAF	
O=C(O)/C=C/C=C/c1nc2cc(Cl)ccc2[nH]1	587968273	MKODFEJSRRTILN-ZPUQHVIOSA-N	248.669	2.870	0	1	BFAF	
Cc1cc2c(cnn2-c2cccc(F)c2)c(O)n1	1857585467	RYHKMZIVQOFLLI-UHFFFAOYSA-N	243.241	2.574	0	1	BFAF	
CCOc1ncccc1Nc1cccc(C)n1	28528755	JXFADLXKGABSMJ-UHFFFAOYSA-N	229.283	2.927	0	1	BFAF	
Clc1ncnc2c1ncn2[C@H]1C[C@@H]2C=C[C@H]1C2	34985680	NEGLPABBXCHFHQ-VGMNWLOBSA-N	246.701	2.617	0	1	BFAF	
CCCCN(C(=O)C1CCC1)c1nc(C)co1	39246375	JVKQLDNDOORLRO-UHFFFAOYSA-N	236.315	2.916	0	1	BFAF	
CCCOc1ccccc1[C@H]1C[C@@H]1CN	84619868	JDQIWSOTVZXUAJ-PWSUYJOCSA-N	205.301	2.538	0	1	BFAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1[C@@H](O)C[C@H](C)[C@H]1C2	104355699	VWQSEENZNJRXDR-IWTMDLJTSA-N	238.371	2.987	0	1	BFAF	in-man
CN(C)[C@@H]1[C@H](c2ccccc2)[C@H]2CC[C@H]1C(=O)C2	253649319	ZZMFVOLMDOEQOA-UGQVUOCMSA-N	243.350	2.699	0	1	BFAF	
CC1=CC[C@]2(CC1)[C@H](C)[C@H](O)C[C@H]2C(C)(C)O	2356789204	DAAXYWYGVVILBO-CXTNEJHOSA-N	238.371	2.891	0	1	BFAF	
COc1ccc(OC)c2c(OC)cc(C=O)cc12	14815381	YRMKQDXHMNCXNY-UHFFFAOYSA-N	246.262	2.678	0	1	BFAF	biogenic
CCCC/C=C/c1ccc2c(c1)no[n+]2[O-]	28648451	HPMJWZDWWICDBJ-AATRIKPKSA-N	218.256	2.665	0	1	BFAF	
Nc1c(-c2ccccc2)sc2cccc[n+]12	29413390	HJIIFUBHRFWEMY-UHFFFAOYSA-N	227.312	2.736	0	1	BFAF	
Nc1ccc2c(c1)[C@@H]1CN[C@@H](C2)c2ccccc21	100740048	PKQWOQOLRMDAHZ-CVEARBPZSA-N	236.318	2.601	0	1	BFAF	
CCCn1cnc2cc3c(cc21)[C@H]1CNC[C@H]3C1	101032570	WBYFNWHZLPPQST-GHMZBOCLSA-N	241.338	2.620	0	1	BFAF	
O=N[C@H](Cl)C(=O)c1ccc(Cl)cc1	219401601	YDDKWHAMOYIKNP-QMMMGPOBSA-N	218.039	2.854	0	1	BFAF	
CC[C@H](O)c1nc2c(Cl)c(Cl)cnc2[nH]1	586901676	WWZTWQGRKJQTDH-YFKPBYRVSA-N	246.097	2.708	0	1	BFAF	
CCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446490	XURCAJQUHYVVHT-WDEREUQCSA-N	232.279	2.611	0	1	BFAF	
C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)cc2[nH]1	587960711	AIHLRWVCVMIKFD-BDAKNGLRSA-N	246.285	2.860	0	1	BFAF	
Cc1cc(O)c2c3c1C(=O)OC[C@@]3(C)CC2(C)C	2356712622	IUVFAJHMVAFLJE-OAHLLOKOSA-N	246.306	2.810	0	1	BFAF	
NC(=O)Nc1ccc2c(c1)[nH]c1ccccc12	26185399	WGBBYWIWZISWDS-UHFFFAOYSA-N	225.251	2.812	0	1	BFAF	
CC(=O)NCCc1cccc2ccc(F)cc12	43203310	QQWMNEGEJXFXGC-UHFFFAOYSA-N	231.270	2.658	0	1	BFAF	
CCC1=Nc2c(OC)cccc2C(=O)C1	101026544	CJQOJMQZHZLQSQ-UHFFFAOYSA-N	203.241	2.764	0	1	BFAF	
COc1ccc(Cl)c(F)c1[C@@H]1C[C@@H]1CN	653707676	COCHDBMHBGSPFV-RNFRBKRXSA-N	229.682	2.550	0	1	BFAF	
CC[C@H](C(C)C)[C@@H]1c2c(cnn2C)CCN1C	963953624	BMGZDMSIDUCWDD-TZMCWYRMSA-N	235.375	2.631	0	1	BFAF	
CC[C@H](C)[C@H](C)OCN1C=CN(C)C1=CN=O	1857539543	RYXHWAQIUHASNX-QWRGUYRKSA-N	239.319	2.679	0	1	BFAF	
CC1(C)C[C@H]2C[C@]2(CO)[C@H]2CC[C@](C)(O)[C@@H]2C1	2356732880	COJSYKXSLPADGO-ZZVJUGKHSA-N	238.371	2.582	0	1	BFAF	
CC[C@H](C)C(=O)Cc1oc(=O)c(C)c(C)c1C	2356785453	AFFUTBFQKWZWER-QMMMGPOBSA-N	236.311	2.723	0	1	BFAF	
N=C1c2ccccc2-c2ncnc3ccc(O)c1c23	3900455	HZLXBRWSWWOXPW-UHFFFAOYSA-N	247.257	2.732	0	1	BFAF	
O=C1CC[C@@H]2c3ccc(Cl)cc3CC[C@H]2N1	13861371	APDPVZBQYLQIMN-VXGBXAGGSA-N	235.714	2.648	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)C[C@H](O)C[C@@]2(C)[C@@H]1CO	15147890	ZJGNAABKLYYISO-JLNYLFASSA-N	238.371	2.748	0	1	BFAF	biogenic
CCc1cn(CCCNC)nc1-c1ccccc1	26578011	SOLVKVOFNFYZHQ-UHFFFAOYSA-N	243.354	2.722	0	1	BFAF	
NC/C=C(/F)COc1cccc(C(F)(F)F)c1	84758381	OWBAPWDINBFKSK-RUDMXATFSA-N	249.207	2.896	0	1	BFAF	
C[C@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2C	100719860	UPIJLTVYDZRYJT-TUKIKUTGSA-N	215.340	2.841	0	1	BFAF	
CC1(C)C[C@H](O)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3	101667197	BWXJQHJHGMZLBT-XXUMUBMXSA-N	238.371	2.725	0	1	BFAF	biogenic
C/C=C/COc1ccc2ccc(=O)oc2c1	103277594	ZAEXKGMTPPNFQA-NSCUHMNNSA-N	216.236	2.748	0	1	BFAF	
Cc1ccc2c(c1)O[C@]1(C)C[C@@]2(C)CC[C@H]1O	238753002	PSMSHZCZVGLVMB-RBSFLKMASA-N	232.323	2.949	0	1	BFAF	
c1n[nH]c2cc3[nH]c(C4CCC4)nc3cc12	586884621	QOJAAODMESVWPV-UHFFFAOYSA-N	212.256	2.707	0	1	BFAF	
COCN(CCC1=CCCCC1)C(=O)OC	5923526	OUOXOPAVMXWUQK-UHFFFAOYSA-N	227.304	2.549	0	1	BFAF	
CC1=C[C@@H]2[C@H](CC1)[C@@](C)(O)CCC[C@@]2(C)CO	14439390	CONIHLPSZDQHQB-XGUBFFRZSA-N	238.371	2.892	0	1	BFAF	biogenic
O=Cc1ccc(C2=CN3CCC2CC3)s1	26716455	NGRQZBLQNGSLEN-UHFFFAOYSA-N	219.309	2.627	0	1	BFAF	
O=N[C@H]1CCCc2cc3c(cc21)OCCO3	169727121	RKIHRNKUXIHURO-JTQLQIEISA-N	219.240	2.602	0	1	BFAF	
CN1CCC2=CC[C@H](OCc3ccccc3)C[C@@H]21	299825138	CTYDRJJRSIVMEI-HOTGVXAUSA-N	243.350	2.996	0	1	BFAF	
COc1cc(F)c(Cl)cc1[C@@H]1C[C@H]1CN	653709029	MBTSGERRNMKXCZ-NKWVEPMBSA-N	229.682	2.550	0	1	BFAF	
N[C@@H](N=O)c1c[nH]c2ccc(Cl)cc12	957601981	VKOPMKGSRSMODN-VIFPVBQESA-N	209.636	2.545	0	1	BFAF	
N[C@H](N=O)c1ccc(OCc2ccccc2)cc1	957756585	BFUHXRGCUDTLAO-CQSZACIVSA-N	242.278	2.989	0	1	BFAF	
C=CC=CCC[C@@H](O)[C@H](O)CCC=CC	2356532471	MJLQEGJBMARMTJ-CHWSQXEVSA-N	210.317	2.587	0	1	BFAF	
CCN1CCCC/C(N=O)=C(/NO)CCCC1	104031251	CPUFNDISBDJWBS-QXMHVHEDSA-N	241.335	2.619	0	3	BFAF	
c1cc2c(cn1)[C@@H](N1CCCC1)CCC2	27188190	DXAMZDNYFBNONX-ZDUSSCGKSA-N	202.301	2.555	0	1	BFAF	
COc1cc2c(cc1Cl)[C@@H](C)[C@@H]1CNC[C@H]21	36270561	LANLSVUKINPKJD-PPKCKEKNSA-N	237.730	2.769	0	1	BFAF	
CCOC(=O)/C=C/n1ccc(-c2ccccc2)n1	40828631	ZRNVJPHRKFRCJJ-PKNBQFBNSA-N	242.278	2.584	0	1	BFAF	
C[C@H]1CCC[C@]2(C)C[C@@H](O)[C@@H](C(C)(C)O)C[C@@H]12	40835957	NDANZYJNKFBEFO-XOBFJNJYSA-N	240.387	2.971	0	1	BFAF	
CCO/C(O)=C1/C(C)=Nc2ccccc2N=C1N	101922327	PARZMRLFOUAINP-QBFSEMIESA-N	245.282	2.587	0	1	BFAF	
OCc1cccc(-c2csc(S)n2)c1	166926898	HVNIGSDZJDUOLB-UHFFFAOYSA-N	223.322	2.591	0	1	BFAF	
C[C@@H](O)Cc1nc2cccc(C(F)(F)F)c2[nH]1	586887852	AEJPUMROPLPDRR-ZCFIWIBFSA-N	244.216	2.505	0	1	BFAF	
Cc1ccc(C)c2c1C[C@H](C(C)(C)O)CC2=O	685935717	YSQRFFYEEJPEGR-NSHDSACASA-N	232.323	2.819	0	1	BFAF	biogenic,in-vitro
CC1=C[C@H](O)[C@H](O)C(C)=C[C@@H]2[C@@H](CC1)C2(C)C	2356614091	HMLUAIQJVMUHKN-YIYPIFLZSA-N	236.355	2.667	0	1	BFAF	
CC(C)(O)[C@@H]1CC[C@]2(C)C=CC[C@](C)(O)[C@@H]2C1	2356656676	XLMZJOLBMYRLCZ-UXOAXIEHSA-N	238.371	2.891	0	1	BFAF	
CC(C)[C@@H]1COc2cc3oc(=O)ccc3cc2O1	3197452	IZXSTWMUJGTAMI-ZDUSSCGKSA-N	246.262	2.589	0	1	BFAF	biogenic,in-vitro
NC[C@H]1[C@@H](c2ccccc2)[C@H]2CC[C@@H]1C2	13795197	GELSJFZDHVLESJ-RQJABVFESA-N	201.313	2.775	0	1	BFAF	
CCCC(=O)c1cc2ccc(OC)cc2oc1=O	34050393	ZYSHWMOCIONRRR-UHFFFAOYSA-N	246.262	2.784	0	1	BFAF	
CCC(CC)c1ccc(NC(=N)N)cc1	40936437	NGNNCFARYFFFIY-UHFFFAOYSA-N	205.305	2.896	0	1	BFAF	
O=C1CC(c2ccccc2)=Nc2ncccc2N1	100307968	PEPNFTVFLSFIKU-UHFFFAOYSA-N	237.262	2.545	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@@H](O)[C@H]31	169303709	VWMGBHVRRNKOAE-QIWTVSAUSA-N	238.371	2.581	0	1	BFAF	
N=c1[nH]ccc2nc(/C=C/c3ccsc3)[nH]c12	587025697	MSKOYKOPQZXWCD-OWOJBTEDSA-N	242.307	2.602	0	1	BFAF	
CC1=CCC(C)(C)[C@H](O)[C@@H]2C[C@]2(C)[C@@H](O)CC1	2356747120	RKDPETZBSSPSSM-XPCVCDNBSA-N	238.371	2.891	0	1	BFAF	
CN1CCC[C@@H]1C[C@@H](O)C=Cc1ccccc1	2356748780	RIYVUZHFPDAAIC-CABCVRRESA-N	231.339	2.545	0	1	BFAF	
Cc1ccc(-c2noc(N=O)c2NO)cc1	13119999	CYWOQMBDVZMPPE-UHFFFAOYSA-N	219.200	2.849	0	3	BFAF	
Cc1n[nH]cc1CN1CCC[C@@H]1c1nccs1	20209491	DUCNQFQAJDIYPE-LLVKDONJSA-N	248.355	2.512	0	1	BFAF	
CN(C)C[C@H]1C[C@H]1c1cncc2ccccc12	28960188	LOCUTCDCZZSFNM-TZMCWYRMSA-N	226.323	2.900	0	1	BFAF	
CSCCCCCCC(=S)NO	62238412	GLRIWFRUUABTJT-UHFFFAOYSA-N	207.364	2.606	0	1	BFAF	in-vitro
C[C@H]1[C@@H](O)CC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	85757329	XALRSJNOMCWQJW-XLFUENPSSA-N	240.387	2.971	0	1	BFAF	in-man
C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1ccccc1O)C2	101146411	ZQDMWUXJVWNBMN-SLEUVZQESA-N	231.339	2.907	0	1	BFAF	
Clc1ccnc(Nc2n[nH]c3cccnc23)c1	118721862	HMVCDVSUGCBEPA-UHFFFAOYSA-N	245.673	2.750	0	1	BFAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O)C[C@@H]12	238771732	PNPPFTXWBZJPGW-RMEBNNNOSA-N	240.387	2.971	0	1	BFAF	
O=C1CCC[C@H](c2nc3cc(F)cnc3[nH]2)CC1	586885091	WBPUUBBVZUSJPG-QMMMGPOBSA-N	247.273	2.714	0	1	BFAF	
c1cc2c3c(cc(Cn4cccn4)nc3c1)CC2	587211862	XRJWQPWZMQAMSY-UHFFFAOYSA-N	235.290	2.578	0	1	BFAF	
Cc1c(O)c(C)c2c(c1O)CO[C@@H](C)[C@H]2C	2356485870	WDGGYGTUDYNFNV-MUWHJKNJSA-N	222.284	2.737	0	1	BFAF	
CC[C@@H]1Oc2ccccc2-n2cccc2C1=O	5846808	LNOPTPVUFDCREE-LBPRGKRZSA-N	227.263	2.831	0	1	BFAF	
C[C@H](O)c1ccc(OC(=O)c2ccccc2)cc1	14503511	VOHHAHDBBPORJD-NSHDSACASA-N	242.274	2.959	0	1	BFAF	biogenic
CN1CCc2ccc(Cl)c3c2[C@@H](CC3)C1	27712442	HDFJHMACFRDUNC-JTQLQIEISA-N	221.731	2.858	0	1	BFAF	
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2CO)N3C)cc1	36176985	XTNMIAPGRFQODN-QXSJWSMHSA-N	245.366	2.554	0	1	BFAF	
Clc1ccnc(-c2cc3n(n2)CCCC3)c1	96911184	WWEKOLCOYYQCIJ-UHFFFAOYSA-N	233.702	2.935	0	1	BFAF	
CC(=O)O[C@@H](C)c1cc2c3c(cccc3n1)CC2	587212253	RINCOXSXQBHWES-VIFPVBQESA-N	241.290	2.958	0	1	BFAF	
Cc1ccc2c(C)cc(C)[n+](C)c2c1C	1772615808	ZLBOJLLAXWTWRW-UHFFFAOYSA-N	200.305	2.898	0	1	BFAF	
O=C1N[C@H](c2ccccn2)Sc2ccccc21	1857605212	VNQMNFPFGNMBPO-ZDUSSCGKSA-N	242.303	2.616	0	1	BFAF	
CC[C@@H](O)CCCCC=CC1=C(C)C(=O)OC1	2356465237	KUWMUXMJJXXEDL-CYBMUJFWSA-N	238.327	2.747	0	1	BFAF	
C[N@]1[C@H](c2cc(O)nc3ccccc23)C1(C)C	2356718159	MVNPXYACAWOCTC-CZUORRHYSA-N	228.295	2.706	0	1	BFAF	
CCC[C@H](C)C=C1CN2CCC[C@@H]2[C@](C)(O)C1	2356743741	ZQWCTWAOPTYJIS-NWANDNLSSA-N	237.387	2.968	0	1	BFAF	
Cc1coc2c1[C@](C)(O)[C@@H]1C(=C2)C(=O)CC[C@@H]1C	14408675	JQQMJMQBRBEIJP-MIUALZABSA-N	246.306	2.808	0	1	BFAF	biogenic
C[C@@H]1C[C@H](O)[C@@H]2C(C)(C)C[C@@]3(C)C(=O)C=C[C@@]123	14509364	GFYRIASLJUKILU-UCTJBKIYSA-N	234.339	2.565	0	1	BFAF	biogenic
C[C@H]1Cc2cc3c(cc2OC1=O)OC(C)(C)CC3	14886668	STSBELBOEQBKCP-VIFPVBQESA-N	246.306	2.888	0	1	BFAF	biogenic
Cc1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2	27993754	MHOKZUYLYFIADZ-ZCFIWIBFSA-N	247.077	2.690	0	1	BFAF	
CC(C)(C)n1cnc2c(N)nc3ccccc3c21	28477552	YGUFFEYNERDHMN-UHFFFAOYSA-N	240.310	2.922	0	1	BFAF	
C[C@H]1C(=O)S[C@](C)(C2CCCCC2)C1=O	35874653	NSUIPHZSGVWZPD-PRHODGIISA-N	226.341	2.804	0	1	BFAF	
C[C@H]1C[C@H]2C[C@@H](O)[C@@H]3CCCN4CCC[C@H]2[C@]34C1	85491213	ICWQJNDZXVMLCK-RWHKXBQASA-N	249.398	2.658	0	1	BFAF	biogenic,in-vitro
O=C(O)c1ccc2c(c1)C=C/C(=C/Cl)CO2	147013171	WMKQQACRJZCVTG-VURMDHGXSA-N	236.654	2.913	0	1	BFAF	
CC(=O)N[C@H](C)c1cc2c3c(cccc3n1)CC2	587214362	YLTBZWILMIZKKI-SECBINFHSA-N	240.306	2.531	0	1	BFAF	
COc1cc2c(cc1-c1ccccc1)C(=O)CO2	1772655358	VBLUTCMVJFVVJW-UHFFFAOYSA-N	240.258	2.937	0	1	BFAF	
CC1=C[C@@H]2C(=C(C)[C@H](O)C[C@H]2C(C)C)C[C@H]1O	14917836	RXNOTJZHBCKHOO-SPWCGHHHSA-N	236.355	2.667	0	1	BFAF	biogenic
CC(C)C1=C[C@H]2[C@H](CC[C@]2(C)O)[C@@](C)(O)CC1	238785508	IWQURBSTAIRNAE-AJNGGQMLSA-N	238.371	2.891	0	1	BFAF	
c1cc2c3c(cc([C@H]4CCCNC4)nc3c1)CC2	587211134	CJWNPDBKAKXDSV-ZDUSSCGKSA-N	238.334	2.800	0	1	BFAF	
Cc1cnc(Cl)c2[nH]c([C@@H](N)C(C)C)nc12	587259113	QFINKRNCAHVSHB-ZETCQYMHSA-N	238.722	2.576	0	1	BFAF	
CC=CC=CC=C[C@@H]1C[C@@H](O)CC(=O)[C@@H]1C	2356594120	JQUGOGSMHDBLNB-JHJVBQTASA-N	220.312	2.651	0	1	BFAF	
CCCCC[C@@H]1CC=C[C@@H](O)CCCC(=O)O1	2356629194	UYQOFPNMJKJWGM-CHWSQXEVSA-N	240.343	2.970	0	1	BFAF	
Cc1c(O)cc2c3c1C(=O)OC[C@]3(C)CC2(C)C	2356640085	OGKCRIOQDYPIOZ-HNNXBMFYSA-N	246.306	2.810	0	1	BFAF	
C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC1	15924710	CDTLTXRTKJOKAW-LBPRGKRZSA-N	243.354	2.959	0	3	BFAF	
C[C@H]1CC[C@@H](c2ccoc2)N2C[C@H](C)C[C@H](O)[C@H]12	14962726	RAGZKDMRXBFTLM-GCPZOVCVSA-N	249.354	2.822	0	1	BFAF	biogenic
C[C@@H]1C[C@H]1COc1cccc2ccc(N)nc12	28392268	HIZPONGXBADBFM-KOLCDFICSA-N	228.295	2.852	0	1	BFAF	
COc1cccc([C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CN)c1	100822713	LHKRTBGXNVJRCO-LVGORTOPSA-N	231.339	2.784	0	1	BFAF	
Cc1ncc2c(n1)CC[C@H](C(C)(C)C)C2	169318173	BFFNQVPISARKMZ-NSHDSACASA-N	204.317	2.936	0	1	BFAF	
c1cnc(Cc2cc3c4c(cccc4n2)CC3)nc1	587213745	ZXXSUHPSDDAPNB-UHFFFAOYSA-N	247.301	2.714	0	1	BFAF	
COc1cc(F)c(Cl)cc1[C@H]1C[C@@H]1CN	653709031	MBTSGERRNMKXCZ-RQJHMYQMSA-N	229.682	2.550	0	1	BFAF	
Clc1cccc(Oc2ccc3nncn3n2)c1	49049601	IZNGQJBAIDYZOQ-UHFFFAOYSA-N	246.657	2.570	0	1	BFAF	
COc1ccc(/C=C/[C@@]2(C)C=CC(=O)O2)cc1	96921253	YAOQQJAXYJWUQD-KGXGESDWSA-N	230.263	2.580	0	1	BFAF	
c1ccc2c(c1)CC[C@H]1[C@@H](c3cc[nH]n3)[C@H]21	100766864	FIORVGNTSODCHF-BNOWGMLFSA-N	210.280	2.853	0	1	BFAF	
C=Cc1cnccc1-c1cnc(N)nc1C1CC1	299835821	XSURNTWPUVRWTF-UHFFFAOYSA-N	238.294	2.641	0	1	BFAF	
COc1cc(OC)c2[nH]c(CC3CC3)nc2c1	587960334	ZQXYDWACUZFCOQ-UHFFFAOYSA-N	232.283	2.533	0	1	BFAF	
Cn1cncc1-c1c[nH]c2ccc(F)c(F)c12	1857577442	TXEGQJZDEZKANQ-UHFFFAOYSA-N	233.221	2.847	0	1	BFAF	
c1ccc(-c2ccc(CC3=NCCN3)cc2)cc1	13779809	QZQWOXMRSZUXFA-UHFFFAOYSA-N	236.318	2.898	0	1	BFAF	
c1ccc(NC2=NCCN2c2ccccc2)cc1	13780640	IETBYHNTLKMEHH-UHFFFAOYSA-N	237.306	2.975	0	1	BFAF	
c1cncc(-c2ccc(Cn3ccnc3)cc2)c1	29131299	OMIXENSMVNAYHY-UHFFFAOYSA-N	235.290	2.993	0	1	BFAF	
CCCN1CCO[C@@H]2c3ccccc3CC[C@H]21	29392762	AWZLBZREVQLYFE-HUUCEWRRSA-N	231.339	2.785	0	1	BFAF	
COc1cc(=O)cc(/C=C/c2ccccc2)o1	34482884	CSVBHFGQISRADN-BQYQJAHWSA-N	228.247	2.819	0	1	BFAF	
CCc1cccn1S(=O)(=O)c1ccc(C)cc1	95597482	HTQMFGBNTNOFDB-UHFFFAOYSA-N	249.335	2.596	0	1	BFAF	
C[C@@H](Cc1ccccc1Cl)C1=NCCN1	473119501	AYNXDFXUPKGGFC-VIFPVBQESA-N	222.719	2.520	0	1	BFAF	
Cc1nccc2[nH]c(-c3ccc(F)c(N)c3)nc12	587139694	QKPBDEPQMUZHTO-UHFFFAOYSA-N	242.257	2.655	0	1	BFAF	
C[C@H]1CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O	14487766	WFSOPDPEWLYCRX-KSPBENGTSA-N	210.317	2.565	0	1	BFAF	
CCC[C@@H]1Cc2cc3c(cc2[C@@H]1N(C)C)OCO3	27521412	VBBRLGUKGVXWHQ-MEBBXXQBSA-N	247.338	2.990	0	1	BFAF	
CC(=O)N(c1ccccc1)[C@H]1CCC[C@H]1N(C)C	28242536	GGZSBGCCQOBQNS-CABCVRRESA-N	246.354	2.522	0	1	BFAF	
CC(=O)N(C)c1ccc(C(F)(F)F)cc1	198881198	IXHISLSTEZEBIZ-UHFFFAOYSA-N	217.190	2.688	0	1	BFAF	
OCc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587967688	QSYWNCYQEODXBY-MVWJERBFSA-N	240.306	2.735	0	1	BFAF	
CC(=CCC[C@]1(C)[C@@H]2C=C(CO)CC[C@@H]21)CO	2356777689	BOEUJLMNWCJKHN-ZNMIVQPWSA-N	236.355	2.670	0	1	BFAF	
Cc1ccnc2cc3c(cc12)[C@H]1CNC[C@@H]3C1	28528540	UQXJKZHLOQRMTO-MNOVXSKESA-N	224.307	2.717	0	1	BFAF	
CC(C)=CCC/C(C)=C/CCc1nnn[nH]1	29126341	DXEOUWVXWPKRRO-DHZHZOJOSA-N	220.320	2.825	0	1	BFAF	
COc1ccc(CCc2ccc(O)cc2O)cc1	95559862	ZGWLVTSVJNAVRK-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	
Fc1cnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	587966793	GSMVVYXJAHGJRA-QXFUBDJGSA-N	229.258	2.777	0	1	BFAF	
Cc1cc(F)c2nc(/C=C/C=C/C(=O)O)[nH]c2c1	587967837	JUPUIJVAZDIISE-ZUVMSYQZSA-N	246.241	2.664	0	1	BFAF	
O[C@@H]1CCC[C@H]1[C@H]1c2ccccc2-c2cncn21	1857586349	JZFRUJKBCCFSEU-BPLDGKMQSA-N	240.306	2.614	0	1	BFAF	
CC(CO)=C1C[C@@H]2CC(C)(C)C[C@@H](O)C[C@]12C	2356434305	LXJRMEUBHWOKPH-JMSVASOKSA-N	238.371	2.892	0	1	BFAF	
CC(=O)OCCCCCCCC=CC(=O)O	2356565662	GUZMIGKKNGIWRT-UHFFFAOYSA-N	228.288	2.531	0	1	BFAF	
CC1(C)[C@@H]2C[C@](C)(O)[C@@H]3CCC[C@](C)(O)[C@@H]3[C@@H]21	2356761346	AYOFBMBGDXCIQI-ACBLYQCWSA-N	238.371	2.581	0	1	BFAF	
C[C@H](O)C=CC[C@H](C)[C@H]1C=C[C@@](C)(O)CC1	2356868430	XBKAUOYYIOGLNF-XDQVBPFNSA-N	224.344	2.667	0	1	BFAF	
CCCCC[C@@](N)(C(=O)O)c1ccccc1	13586415	LOQIWYHSGOTTAK-ZDUSSCGKSA-N	221.300	2.506	0	1	BFAF	
CN[C@]12CCCC[C@@H]1C[C@H](O)c1ccccc12	36294137	JJMXINCNBCMRDO-BYCMXARLSA-N	231.339	2.729	0	1	BFAF	
CCN1c2ccccc2[C@@]2(CC)CCN(C)[C@@H]12	58520108	OSITUDRHKICEAS-LSDHHAIUSA-N	230.355	2.836	0	1	BFAF	
O=C1NC(=O)/C(=C/C=C/c2ccccc2)CS1	103290162	RRFXLXBVXXOTNV-VCABWLAWSA-N	245.303	2.609	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CC[C@H](O)C[C@H]21	253809477	ZXASUIFTYKJPOW-YDHLFZDLSA-N	246.374	2.575	0	1	BFAF	
Cc1cccc(OC2=CCN(C)CC2)c1	13603036	VTZZJNOMDLNCHI-UHFFFAOYSA-N	203.285	2.593	0	1	BFAF	
c1cc(-c2ccc3c(c2)[C@@H]2CNC[C@@H]3C2)c[nH]1	101030483	AZTFASAELTYTNV-STQMWFEESA-N	224.307	2.856	0	1	BFAF	
Cc1cccc(-c2cc(N)nc3[nH]cc(C#N)c23)c1	219683514	KWTGXMXCSXFSJX-UHFFFAOYSA-N	248.289	2.992	0	1	BFAF	
Oc1ccc(-c2nc3cccnc3[nH]2)c(Cl)c1	587055068	QWMSFJYISUTQKD-UHFFFAOYSA-N	245.669	2.984	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)F)O2	587381514	GLJYTJVYFLISPM-OQPBUACISA-N	237.274	2.659	0	1	BFAF	
O=C1c2ccccc2CC[C@@H]1CN1CCCCC1	2029142	UYBXDDGLSMPWAN-CQSZACIVSA-N	243.350	2.918	0	1	BFAF	
COc1cc(O)c2c(=O)cc(C(C)C)oc2c1C	13329136	CVYYGWZLVCIMOB-UHFFFAOYSA-N	248.278	2.939	0	1	BFAF	biogenic
CC[C@H](C)CSCC(=O)C(F)(F)F	13859383	XWJQWNWJQMREQY-LURJTMIESA-N	214.252	2.897	0	1	BFAF	
COc1ccc2c3c1CN(C)C[C@@H]3CCC2	27715952	XWAAUAPDZAXCHQ-NSHDSACASA-N	217.312	2.561	0	1	BFAF	
O=c1c2ccccc2[nH]c2sc(Cl)nc12	27744456	IUMNHZPNYVNICW-UHFFFAOYSA-N	236.683	2.791	0	1	BFAF	
O[C@H]1CCC2=C(C1)C[C@@H](CN1CCCCC1)C2	169328686	YRDSGPROQBZPFV-WFASDCNBSA-N	235.371	2.724	0	1	BFAF	
CC(C)C1=C[C@@H]2[C@@H](CC[C@@]2(C)O)[C@](C)(O)CC1	238780906	IWQURBSTAIRNAE-KBUPBQIOSA-N	238.371	2.891	0	1	BFAF	
CN1CCC[C@@H]2Cc3cc(Cl)c(O)cc3[C@H]21	299832803	WAIIEGCUZOAHGT-OQPBUACISA-N	237.730	2.985	0	1	BFAF	
Cc1cccc2nc(-c3cnc(Cl)nc3)[nH]c12	587085958	PZMLKUMEWZOBGS-UHFFFAOYSA-N	244.685	2.982	0	1	BFAF	
Cc1cc2c(cc1C[C@H](C)O)[C@H](C)[C@@H](O)[C@@H](C)C2	2356323176	JHDZFWRABRBPFB-YWDSYVAPSA-N	248.366	2.575	0	1	BFAF	
CCCCSC(=O)[C@H](O)c1ccccc1	2033494	OQYRZKXZWXMUCB-LLVKDONJSA-N	224.325	2.780	0	1	BFAF	
CC(C)=CCc1c(O)ccc2cc(O)c(=O)oc12	13334611	WDPVHYXBOAYXAX-UHFFFAOYSA-N	246.262	2.713	0	1	BFAF	biogenic
c1ccc(-c2cnco2)c(NCc2c[nH]cn2)c1	13860600	XHSSQAAKENOPTK-UHFFFAOYSA-N	240.266	2.677	0	1	BFAF	
COc1ccc2c(c1)CCC(CO)=C2Cl	72172014	UHLMEGJUVRKXSS-UHFFFAOYSA-N	224.687	2.584	0	1	BFAF	
CC1(C)[C@H]2CCC[C@@H](C(=O)O)[C@@]2(C)CC[C@H]1O	2356645850	GVKOSTDVQZCJJT-ICUOPCATSA-N	240.343	2.675	0	1	BFAF	
CCC(=O)NCCC1=CCc2ccc(OC)cc21	22072	WGGZZJZSCAOORQ-UHFFFAOYSA-N	245.322	2.551	0	1	BFAF	
CC(C)[C@@H](/C=C/[C@H](C)O)CC[C@@H](C)CO	17187164	KMASBAKBQVORTA-RUPKYZNSSA-N	214.349	2.604	0	1	BFAF	
C[C@H]1CNCCc2ccc(C(F)(F)F)cc21	28127770	GBYLNYMTYZRQLE-QMMMGPOBSA-N	229.245	2.955	0	1	BFAF	
CN1CCCC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]13	101547575	YHYGFDSOGXVEJJ-RGLKLLMLSA-N	205.345	2.907	0	1	BFAF	
C[C@@H](SC[C@H]1CC[C@@H]2C[C@@H]1C2(C)C)C(N)=O	102953592	NKUFVXRKKRVOQA-DBIOUOCHSA-N	241.400	2.666	0	1	BFAF	
O=C1CCn2c3ccccc3c3ccnc1c32	140780571	LJFUYXISTLSEJN-UHFFFAOYSA-N	222.247	2.776	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)F)O2	587381515	GLJYTJVYFLISPM-SDBXPKJASA-N	237.274	2.659	0	1	BFAF	
c1ccn2c3c(nc2c1)CCN[C@H]3CCC1CC1	962984334	MTDRJXGGEIBFIS-LBPRGKRZSA-N	241.338	2.711	0	1	BFAF	
N=c1cc(N2CCCCC2)c2ccccc2[nH]1	1857560295	IRPKTOVKLAGALP-UHFFFAOYSA-N	227.311	2.638	0	1	BFAF	
CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2	2356529261	ZPMZHEDPVXDYLL-NEBZKDRISA-N	238.371	2.891	0	1	BFAF	
C[C@@H]1CC[C@@]2(C)[C@@]3(C)CC[C@@H](C[C@@H]13)[C@]2(O)CO	2356625972	GXIANPKKUSLVEE-HCDMYHGNSA-N	238.371	2.582	0	1	BFAF	
C=CCCC[C@@H](C)[C@@H]1CCC(CO)=CC1=O	14492796	YOQGWYGRDOUVJC-YPMHNXCESA-N	222.328	2.877	0	1	BFAF	biogenic
Cc1ccccc1[C@H]1C[C@H]1NC1CCC(N)CC1	149633352	VUUUJQSTZWEXHY-BCAXMMLOSA-N	244.382	2.710	0	1	BFAF	
CCCC/C=C/c1nc2ccnc(O)c2[nH]1	587964616	ADLLVYDXAYGZBE-AATRIKPKSA-N	217.272	2.867	0	1	BFAF	
COc1nccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587966180	BJBQFCHZNTVSEJ-IVZWLZJFSA-N	241.294	2.646	0	1	BFAF	
Cc1c(O)c(C)c2c(c1O)CO[C@H](C)[C@@H]2C	2356485869	WDGGYGTUDYNFNV-IMTBSYHQSA-N	222.284	2.737	0	1	BFAF	
CCOc1c2occc2cc2ccc(=O)oc12	5863036	FDNAQBKTQHGTPE-UHFFFAOYSA-N	230.219	2.938	0	1	BFAF	
C[C@@H]1C=C2N3CCC[C@@H]4[C@@H](O)C[C@H](C1)[C@@]24CCC3	6066684	HOKAQRSZUDJBEU-JHZZJYKESA-N	247.382	2.783	0	1	BFAF	biogenic
C1=C/C(=C\c2ccc(/C=C3\C=CC=N3)[nH]2)N=C1	38792141	KQURRFBHIHZJDG-WGDLNXRISA-N	221.263	2.978	0	1	BFAF	in-vitro
Oc1cccc2cc(N3CCCC3)cnc12	64502308	FTCCYXBHIGCZCP-UHFFFAOYSA-N	214.268	2.541	0	1	BFAF	
COc1ccccc1[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CN	100822740	TWQYJZHCEIXHSD-TZQJONAQSA-N	231.339	2.784	0	1	BFAF	
COC(=O)CCCCCCC/C=C\CCO	146661821	UEHUKETWTYBLMM-VURMDHGXSA-N	228.332	2.829	0	1	BFAF	
CC1=C2[C@@H]3O[C@]2(C[C@H]2CCC[C@H](C)[C@]23C)OC1=O	238749400	BXSYDOYJFXURHI-OADFYJJDSA-N	248.322	2.801	0	1	BFAF	
CCCCC/C=C/C=C/C(=O)N1C=C[C@@H](O)CC1	238768328	SSQWFLRNRWVASI-PAMVGZKNSA-N	249.354	2.786	0	1	BFAF	
CSc1ccc2nc([C@H]3CC[C@@H](N)C3)[nH]c2c1	587246504	GUMSBHINGSYQIO-DTWKUNHWSA-N	247.367	2.880	0	1	BFAF	
CC1(C)CCC[C@@H]2C3=C(C=C[C@H]21)C(=O)OC3	2356423323	VCUNJMCXPFUODI-BXKDBHETSA-N	218.296	2.852	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1C[C@@H]1[C@@H]1COC(=O)[C@]12C	2356694309	ZBOYMXKAMDFKCP-OEZHXSHYSA-N	234.339	2.868	0	1	BFAF	
Cc1ccc([C@H]2CC(=O)Nc3[nH]nc(C)c32)cc1	5687234	TZNNDMDHOGSNSI-LLVKDONJSA-N	241.294	2.501	0	1	BFAF	
CN1CC=C(Oc2ccc(Cl)cc2)CC1	13603020	DQFJRXKCZYAKOR-UHFFFAOYSA-N	223.703	2.938	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@]13CC[C@@](C)(O)[C@H](C3)[C@]2(C)CO	28710668	YULHLOUAHSEHLD-FVUFVHQMSA-N	238.371	2.582	0	1	BFAF	
CC(C)Oc1ccc2cc(C(=N)N)ccc2c1	71788663	PAMQCTBVARKOJW-UHFFFAOYSA-N	228.295	2.911	0	1	BFAF	
CCC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1	95554764	WEIHGVGRYXRBBS-HUUCEWRRSA-N	249.354	2.794	0	1	BFAF	
FC(F)(F)C1=NCCN=C(c2ccccc2)C1	169688523	CDDQGHZSLUYGDD-UHFFFAOYSA-N	240.228	2.883	0	1	BFAF	
O=C(O)/C=C/C=C\c1nc2cc(Cl)ccc2[nH]1	587968272	MKODFEJSRRTILN-HSFFGMMNSA-N	248.669	2.870	0	1	BFAF	
CCCCOCc1cn(-c2ccccc2)nn1	1857747003	SUTPWJQTXRHWBN-UHFFFAOYSA-N	231.299	2.584	0	1	BFAF	
C[C@@]12CO[C@@H]3c4cocc4C[C@@](C)(O)[C@@H](C1)[C@H]3C2	2356635623	DWFADEFKWQSANI-QPGZIWCOSA-N	248.322	2.691	0	1	BFAF	
CC(=O)CC[C@@H]1[C@@H](C)C[C@H](O)CC1(C)C	14587733	GZFXCGAUFAQBLT-ZMLRMANQSA-N	212.333	2.789	0	1	BFAF	biogenic
Cc1[nH]c2c(C(=O)O)cccc2c1CCC#N	76067754	KFAWUECYYJOLAP-UHFFFAOYSA-N	228.251	2.631	0	1	BFAF	
OC[C@@]12CC[C@@H](O1)c1cc3ccccc3cc12	214772491	VLUIJRWNVDGEKI-HUUCEWRRSA-N	226.275	2.893	0	1	BFAF	
Fc1ccc([C@@H]2CN3CCCC[C@H]3CO2)cc1	299847201	XZQRNKQLLRVHGP-KBPBESRZSA-N	235.302	2.752	0	1	BFAF	
C[C@H](N=O)c1ccc2nc(N)sc2c1	958064342	GZSURLXLUVQSIY-YFKPBYRVSA-N	207.258	2.706	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1C[C@@H]1[C@@H]1COC(=O)[C@@]12C	2356694307	ZBOYMXKAMDFKCP-DWMRBLSRSA-N	234.339	2.868	0	1	BFAF	
O=c1cc(-c2ccco2)oc2cc(O)ccc12	222558733	SJCCSTAMXSGECL-UHFFFAOYSA-N	228.203	2.759	0	1	BFAF	
Cc1c(F)ccc2c1[C@@]1(CCOC[C@H]1C)NCC2	962303939	YPDNWZYHSKHUMJ-BMIGLBTASA-N	249.329	2.532	0	1	BFAF	
CC(C)Oc1cc2ccccc2cc1C(N)=O	1233557773	AMVACTWFXMLXMN-UHFFFAOYSA-N	229.279	2.726	0	1	BFAF	
OCC[C@@H]1c2ccccc2-c2cnsc21	1857613278	AMYBCEDNAAWFOH-SNVBAGLBSA-N	217.293	2.638	0	1	BFAF	
CC1=CCC[C@H](C)C(=O)CC2=C(C)C(=O)N[C@@H]2C1	2356374084	MZVOQYNJEAKDJD-GXFFZTMASA-N	247.338	2.527	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2[C@@H]1O	2356553267	SUNRMOIMPOGBOY-WPLOAARJSA-N	240.387	2.971	0	1	BFAF	
CC1=CC[C@@]23C[C@H]1C[C@](C)(O)[C@@H]2[C@@H](O)C[C@@H]3C	2356718907	KCUAHALVFZQCSG-IWTMDLJTSA-N	236.355	2.501	0	1	BFAF	
CC1=C(CO)[C@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O	2356766651	SVWKODBBWFMLHM-NFAWXSAZSA-N	238.371	2.892	0	1	BFAF	
c1ccc2c(CCc3ccncn3)c[nH]c2c1	12365460	VEEXILNZSSXTHF-UHFFFAOYSA-N	223.279	2.743	0	1	BFAF	
COc1cc(/C=C/C(=O)O)c2ccccc2c1O	27523488	WOAQCCYKDIJNBG-VOTSOKGWSA-N	244.246	2.652	0	1	BFAF	
CN[C@@]12CCCC[C@@H]1Cc1cc(OC)ccc12	27742071	OZGFUUQXLIIVPN-DOMZBBRYSA-N	231.339	2.856	0	1	BFAF	
COc1oc(C2=CCCN(C)C2)nc1C(C)C	29409593	HGZCGIATKYWORG-UHFFFAOYSA-N	236.315	2.526	0	1	BFAF	
Cc1ccc(-c2cn([C@@H]3CCCC3=O)nn2)cc1	66252550	MDFVZTUQGFEOCT-CYBMUJFWSA-N	241.294	2.548	0	1	BFAF	
NCCc1c(-c2ccccc2)[nH]c2ccncc12	96142569	RDJXCVFVJCRJDK-UHFFFAOYSA-N	237.306	2.731	0	1	BFAF	
CCSc1nnc(-c2nc3ccccc3[nH]2)o1	103285997	RFKGTJYTKDGCNP-UHFFFAOYSA-N	246.295	2.725	0	1	BFAF	
CN(C)[C@H]1[C@H](c2cccnc2)[C@H]2CC[C@@H]1C2	1857549161	FCLDUUHIVVRBDA-UZGDPCLZSA-N	216.328	2.525	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@@H](C)[C@@]2(O)CC1	2356326153	URSADROJPOUESD-ZSAUSMIDSA-N	238.371	2.747	0	1	BFAF	
O[C@H]1C[C@H](c2ccco2)NC2(CCCCC2)C1	335500	AIQYSLMWCIICFG-NWDGAFQWSA-N	235.327	2.768	0	3	BFAF	
CC(C)CCOc1cc(=O)[nH]c2ccccc12	49067757	ZAVDIHXTPHVCQH-UHFFFAOYSA-N	231.295	2.953	0	1	BFAF	
CO[C@@]1(c2ccccc2)C=CC(C)(C)OC1	103215739	IUEZOZQMSXUREL-AWEZNQCLSA-N	218.296	2.893	0	1	BFAF	
CC(C)[C@@H]1CC[C@@H](C)[C@]23CC[C@](C)(O2)[C@@H](O)[C@@H]13	238770618	KYCJKHVCYJLBJM-QZOBBIQNSA-N	238.371	2.987	0	1	BFAF	
Cc1cccc2[nH]c(/C=C/C=C\C(=O)O)nc12	587967330	HBWGYVUOFXHPFM-QUJXVZSASA-N	228.251	2.525	0	1	BFAF	
CN[C@@]12CCCC[C@@H]1Cc1ccc(OC)cc12	13825976	YNPJHPVRCSPJRY-DOMZBBRYSA-N	231.339	2.856	0	1	BFAF	
CC1(C)NC(=O)N2C=Cc3ccccc3[C@H]21	27708625	KXWGHSBZMYOACJ-NSHDSACASA-N	214.268	2.516	0	1	BFAF	
C=C1C(C)=Cc2c(O)c(C)c(CCO)c(C)c21	40401796	VIUCKWTVRVCLOK-UHFFFAOYSA-N	230.307	2.974	0	1	BFAF	
CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1CO	85661930	SYSFCGLKPBVTDQ-GUIRCDHDSA-N	238.371	2.748	0	1	BFAF	in-man
COc1cc2c3c(c1)O[C@]1(CC[C@@H]1C)[C@@H](C2)C3=O	587447032	KHGQLRFOZKGQSM-CYBUAMNDSA-N	244.290	2.611	0	1	BFAF	
COc1ccccc1COc1ncccc1C	621430392	TYXYZKSEBZTRRY-UHFFFAOYSA-N	229.279	2.978	0	1	BFAF	
C/C=C/CN(C)Cc1ccc2c(c1)CCO2	1772578625	CHZNDVGEDTVNDX-ONEGZZNKSA-N	217.312	2.629	0	1	BFAF	
CC1=C2[C@H]3O[C@@]2(C[C@@H]2CCC[C@H](C)[C@@]23C)OC1=O	2356544083	BXSYDOYJFXURHI-DYDIJXKYSA-N	248.322	2.801	0	1	BFAF	
CNc1cccc(-c2ccccc2C(C)=O)n1	61928453	FXTVBMFVFRKFFC-UHFFFAOYSA-N	226.279	2.993	0	3	BFAF	
COc1cccc(C2=N[C@@H](C(C)C)CO2)c1OC	1629084	VXGZYVDYWWIWLL-LLVKDONJSA-N	249.310	2.505	0	1	BFAF	
CC(=O)Oc1ccc([C@H](O)c2ccccc2)cc1	40394999	UBZRZJFNOYHEIK-OAHLLOKOSA-N	242.274	2.694	0	1	BFAF	
O=C(O)c1ccc2c(c1)C=C/C(=C\Cl)CO2	49111841	WMKQQACRJZCVTG-SOFGYWHQSA-N	236.654	2.913	0	1	BFAF	
CN1CCC[C@@]12CCc1ccccc1C2	169315951	YKAGSHHKHLFNHK-AWEZNQCLSA-N	201.313	2.640	0	1	BFAF	
Cc1ccc(C=CCCCC(=O)O)c(CO)c1	2356335157	UWILNPZBSDARKO-UHFFFAOYSA-N	234.295	2.755	0	1	BFAF	
CC(C)[C@@H]1[C@H]2CO[C@H]1[C@@H]1N(C)C[C@@H]3CC[C@H]2[C@@]31C	2356485154	VNAJNLDGWVFACK-RVWUJTDLSA-N	249.398	2.634	0	1	BFAF	
O=C(O)[C@@]1(CCCCCc2ccccc2)CO1	1853737	MUHUCQUIGHLWDX-CQSZACIVSA-N	234.295	2.643	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CO	15147896	SYSFCGLKPBVTDQ-OSFYFWSMSA-N	238.371	2.748	0	1	BFAF	endogenous,in-man
C[C@@H]1CCC[C@]2(C)CC=C([C@@](C)(O)CO)C[C@@H]12	15208790	RDBMSERFRDSITF-BEAPCOKYSA-N	238.371	2.892	0	1	BFAF	biogenic
CCOc1cc2c(cc1OCC)C(=O)[C@@H](C)C2	27656929	ANVLUJVUZOJZJH-VIFPVBQESA-N	234.295	2.859	0	1	BFAF	
CCCCC(=O)N(c1nc(C)co1)C(C)C	39246390	BYLVCMLJYGFFMY-UHFFFAOYSA-N	224.304	2.915	0	1	BFAF	
CC1(C)[C@H]2CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@@H]3[C@H]21	71317174	DWNPMJOWAWGIMM-KPRRGPHJSA-N	238.371	2.581	0	1	BFAF	
Cc1ccccc1C[C@]1(C)SC(=O)[C@H](C)C1=O	169719270	GRWPBKZKPSWYDU-YGRLFVJLSA-N	248.347	2.775	0	1	BFAF	
C[C@@H]1[C@H](O)CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	257617942	XALRSJNOMCWQJW-BGPZULBFSA-N	240.387	2.971	0	1	BFAF	endogenous,in-man
C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1cnccn1)C2(C)C	1857747505	HTVGKMOCTAFXCQ-MHDGFBEUSA-N	245.370	2.637	0	1	BFAF	
CC=C[C@H](CC)ON1C(=O)c2ccccc2C1=O	2356858298	SYOWXNFNBXQSTK-JTQLQIEISA-N	245.278	2.569	0	1	BFAF	
CC[C@H](C)CCc1oc(=O)c(C)c(O)c1C	2356866223	VMYCTTZKXRNXSD-QMMMGPOBSA-N	224.300	2.941	0	1	BFAF	
CC(C)Cn1c2c(c(=N)c3c1CCC3)CCC2	3159763	JDTYOWNGRUJWBX-UHFFFAOYSA-N	230.355	2.601	0	1	BFAF	biogenic
CC(=O)c1c(-c2ccc(C)cc2)oc(O)cc1=O	5442985	UAOSDYOTQGHPCW-UHFFFAOYSA-N	244.246	2.523	0	1	BFAF	
CN1CCC=C(c2c[nH]c3ccc(O)cc23)C1	26750054	DJOAYTZWPNZMQY-UHFFFAOYSA-N	228.295	2.592	0	1	BFAF	
C[C@H]1CC=C2[C@H]1C[C@H](C(C)(C)O)C[C@H](O)[C@@H]2C	28642795	IFELKEXDSVYIOJ-WTNWGCMGSA-N	238.371	2.747	0	1	BFAF	
Cc1ccnc2cc3c(cc12)[C@H]1CNC[C@H]3C1	101057841	UQXJKZHLOQRMTO-GHMZBOCLSA-N	224.307	2.717	0	1	BFAF	
Cc1cccc(C[C@]2(C)SC(=O)[C@@H](C)C2=O)c1	169719242	CHLBSFMJNDDPFR-HZMBPMFUSA-N	248.347	2.775	0	1	BFAF	
O=N[C@H]1C(=O)Nc2c1ccc(Cl)c2Cl	169721210	BRCXDQBDNVIIAO-SSDOTTSWSA-N	231.038	2.753	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CCC[C@H]2N3)cn1	253636272	GDSORCYTZJIZHU-GMTAPVOTSA-N	222.719	2.733	0	1	BFAF	
Cc1c(F)ccc2nc(-c3cncc(N)c3)[nH]c12	587254071	KTJQBACDASEBFY-UHFFFAOYSA-N	242.257	2.655	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)C1)O2	587407936	LYTUXSOJCXWMMR-UHFFFAOYSA-N	231.295	2.711	0	1	BFAF	
N[C@H]1CCCc2c1[nH]c1cccc(F)c21	1857573969	ZTESZQGKDXQEGW-VIFPVBQESA-N	204.248	2.643	0	1	BFAF	
OC[C@H]1CC[C@H](c2ccc(O)cc2)CC1	1857583151	MUGVHYZIUXNFTE-XYPYZODXSA-N	206.285	2.658	0	1	BFAF	
CCC=CC[C@H]1C(=O)CC[C@@H]1CC(=O)OCC	2356522228	ZQIQZTGSDJKNLB-VXGBXAGGSA-N	238.327	2.891	0	1	BFAF	
CCC=CC1=C2NC(=N)N[C@@H]3CC[C@H](C[C@@H]1C)[C@H]23	2356757257	YSZQKSLEUOCOPD-YGNMPJRFSA-N	245.370	2.769	0	1	BFAF	
COc1cc(C)c2[nH]cc(CCN(C)C)c2c1	13816896	YGAOMGVUIWNFMD-UHFFFAOYSA-N	232.327	2.589	0	1	BFAF	
CC1=C2CC[C@]2(C)[C@@H]2C[C@@](C)(CO)C[C@@H]2C1=O	14507519	HPOGLDHHCCWZQO-FDEJFUCISA-N	234.339	2.711	0	1	BFAF	biogenic
Cc1ccc(/C=C/C=C2/SC(=O)NC2=O)cc1	72172151	AXWIDZIVKYKHPY-TTWWKFCBSA-N	245.303	2.875	0	1	BFAF	
C[C@H]1N[C@@H]2c3cccc(N)c3[C@@H]1[C@@H]1CCC[C@H]21	135853561	FMBYQEIJDWNYNT-DRCMHCKCSA-N	228.339	2.815	0	1	BFAF	
CSCC(C)(C)c1nc2c(C)ccnc2[nH]1	586969299	PYXLTMSGDHOCBP-UHFFFAOYSA-N	235.356	2.907	0	1	BFAF	
Oc1ccccc1CCNCc1ccc(F)cc1	1656275502	QOSHLCMYKZRULJ-UHFFFAOYSA-N	245.297	2.864	0	1	BFAF	
CC1=CC[C@@H]2[C@H]([C@@H]1O)[C@@H](C(C)C)CC[C@@]2(C)O	2356463256	UWHNWJPJCCVVKQ-KJWHEZOQSA-N	238.371	2.747	0	1	BFAF	
C[C@]1(CO)C[C@@H]2CC(CO)=C3CC[C@]3(C)[C@@H]2C1	2356558573	DWHWSBKMAVYZBO-PUPMMZHASA-N	236.355	2.504	0	1	BFAF	
CC1=C(O)C[C@H](CCc2ccccc2)OC1=O	2356697069	HYFBYXSZUDJFRY-LBPRGKRZSA-N	232.279	2.767	0	1	BFAF	
CSc1ccc(N2C[C@H](C)OC2=O)cc1	11524426	UJQVVEDVOKWZFA-QMMMGPOBSA-N	223.297	2.754	0	1	BFAF	
COC(=O)c1c(C)cc2c(c1O)C=CC(C)(C)O2	14511319	HXBXAZKZXIKRDT-UHFFFAOYSA-N	248.278	2.671	0	1	BFAF	biogenic,in-vitro
CC=C=CCN(C)CCc1ccccc1	29339841	SVWZINRLXDSQFT-UHFFFAOYSA-N	201.313	2.892	0	1	BFAF	
C[C@H]1O[C@@]23C[C@@H]1CC[C@@]2(C)CCC[C@H]3CO	59588984	XPOUZYSXHNCNEA-MBJXGIAVSA-N	224.344	2.743	0	1	BFAF	biogenic,in-vitro
CCCCSC(=S)n1ccnc1	103287127	DYCSWEPRFMSSDZ-UHFFFAOYSA-N	200.332	2.549	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@](C)(CO)[C@@H]3C[C@@]21CC[C@@]3(C)O	238742286	YULHLOUAHSEHLD-QAUDVVSPSA-N	238.371	2.582	0	1	BFAF	
COc1ccc(-c2cnc3[nH]ccc3n2)cc1	473155396	RUZAAPFWOFOZCM-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
Fc1cncc(-c2nc3cc(Cl)cnc3[nH]2)c1	587177321	VSNAVXFVFVJGEA-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
NO[C@@H](c1ccccc1)c1ccsc1	1857596147	KWFSMRFYKUQKIU-NSHDSACASA-N	205.282	2.728	0	1	BFAF	
CC=Cc1ccc(C=CC(=O)OC)s1	2356434853	GXFCENYLTXILIZ-UHFFFAOYSA-N	208.282	2.967	0	1	BFAF	
COc1cc(CO)cc2c1[nH]c1ccccc12	1634348	KNKVHLASDDREQS-UHFFFAOYSA-N	227.263	2.822	0	1	BFAF	endogenous,in-man
C[C@H](c1ccc(-c2ccccc2)o1)N(O)C(N)=O	11688745	ANWBRNBFWNTBRG-SECBINFHSA-N	246.266	2.778	0	1	BFAF	
COc1ccc2c(ncn2-c2ccccc2)c1O	13798306	BCVANXGROSBZPI-UHFFFAOYSA-N	240.262	2.740	0	1	BFAF	
CC1=C[C@@H]2CC=C(C(=O)O)[C@H]2[C@@H](CC(C)C)C1=O	14883258	PAAFIIOBYWWYMS-UHTWSYAYSA-N	248.322	2.825	0	1	BFAF	biogenic
CC(C)[C@@]12CC[C@@](C)(O1)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]1C2	15160949	VWQSEENZNJRXDR-DBWOOVFOSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
O=c1cc(NC2CC2)cc(-c2ccccc2)o1	71296548	PRBWKHULKHBNJA-UHFFFAOYSA-N	227.263	2.881	0	1	BFAF	
CNC(=O)Oc1cccc(CCC(C)C)c1	84652236	MPXQUVBXESOPPU-UHFFFAOYSA-N	221.300	2.993	0	1	BFAF	
CO[C@@H]1C=C(/C=C\c2ccccc2)OC(=O)C1	238784544	SAGHRZGOMJHCOS-MEJMFZKBSA-N	230.263	2.546	0	1	BFAF	
Cc1ccc2nc(C3=COCC3)[nH]c2c1	586913611	REFCSMCKZXMFKW-UHFFFAOYSA-N	200.241	2.633	0	1	BFAF	
CCc1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1	587189293	BCVBFUIYLFSTEL-JTQLQIEISA-N	231.343	2.618	0	1	BFAF	
O=c1c(Cc2ccncc2)coc2ccccc12	653726425	CKGJGNLNAFKOLX-UHFFFAOYSA-N	237.258	2.779	0	1	BFAF	
CCC1(CC)CN2CCNCc3cccc1c32	1911576138	QRINVCDYIWIKDB-UHFFFAOYSA-N	230.355	2.668	0	1	BFAF	
CC(C)=CCOc1cc2c(c(O)c1C)C(=O)OC2	2356628290	OBLRTUOESOIUPD-UHFFFAOYSA-N	248.278	2.716	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1C[C@@H]1[C@H]1COC(=O)[C@]12C	2356694308	ZBOYMXKAMDFKCP-HPRNSEAXSA-N	234.339	2.868	0	1	BFAF	
Cc1cc(=O)[nH]c2c1cnn2C1CCCCC1	6752736	IZTPUHVRPIIKCK-UHFFFAOYSA-N	231.299	2.538	0	1	BFAF	
CCCCC/C=C/C=C\[C@H](O)[C@H]1CCC(=O)O1	13460692	JAXIPKBMDKIIGO-AJTIJVIESA-N	238.327	2.746	0	1	BFAF	
O=C1N[C@H]2CCCc3cc(Cl)ccc3[C@@H]2O1	26649776	VALGYTXXSSNIHD-QWRGUYRKSA-N	237.686	2.826	0	1	BFAF	
CC(C)Oc1cccc2[nH]c3c(c12)CCN=C3	27518243	AVEXRLIJJJGQHF-UHFFFAOYSA-N	228.295	2.930	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)CC(=O)C[C@]2(C)O1	34569092	VXIZSNZJQJVFMK-CDMKHQONSA-N	210.317	2.949	0	1	BFAF	endogenous,in-man
Cc1ccc([C@H]2C[C@H]3CC[C@@H]4[C@H]2C(=O)CN34)cc1	100846480	NWRMTPHQJUHLJH-KQTLUZQSSA-N	241.334	2.514	0	1	BFAF	
CC(C)Cc1ccc([C@H](N=O)C(=O)O)s1	169689284	WAFIALIFJSOGMF-VIFPVBQESA-N	227.285	2.839	0	1	BFAF	
c1cc2c3c(c4c(nc3c1)[C@H]1O[C@@H]1CC4)CC2	587216658	IRPQURCRWBJZGV-DOMZBBRYSA-N	223.275	2.720	0	1	BFAF	
Cc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1F	587968307	MOWLNKNRIZXWFI-HZDAAVBUSA-N	246.241	2.664	0	1	BFAF	
Cc1cc(C)[n+](C)c2c(C)ccc(F)c12	1772599877	SNKPYJNYEKQEMP-UHFFFAOYSA-N	204.268	2.729	0	1	BFAF	
CCOC(=O)c1ccc2cccccc1-2	39347314	UWZLZRMWZHMWKH-UHFFFAOYSA-N	200.237	2.968	0	1	BFAF	
COc1cncc(/C=C\c2ccncc2)c1	84577629	UPWCZNHPRXLPCZ-IHWYPQMZSA-N	212.252	2.656	0	1	BFAF	
CC1=C(CO)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H]1O	95579472	SVWKODBBWFMLHM-VNHYZAJKSA-N	238.371	2.892	0	1	BFAF	
c1cc2c3c(cc(-c4cnc[nH]4)nc3c1)CC2	587212803	VNBTUAGKWNDWMK-UHFFFAOYSA-N	221.263	2.724	0	1	BFAF	
CC(C)[C@H](N)c1nc2ccc3ncccc3c2[nH]1	587258793	KQYSSKJQAMLNRR-LBPRGKRZSA-N	240.310	2.767	0	1	BFAF	
Cc1ccnc2c1CCN[C@H]2[C@H]1CCC(C)(C)O1	963072883	OVFQPASDTSJSFZ-OCCSQVGLSA-N	246.354	2.534	0	1	BFAF	
CC1=C[C](N)N(Cc2ccccc2F)C=C1	2356873950	AGQHVYVDTCEORK-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
CC(C)N1O[C@H]2C[C@@H]1c1nc3ccccc3n1C2	13657510	VVGIXYQMZGPIEN-GXFFZTMASA-N	243.310	2.505	0	1	BFAF	
COc1ccc2c(c1)CCC[C@]21CCN(C)C1	27736222	DQDBBLKLJQIXFD-OAHLLOKOSA-N	231.339	2.605	0	1	BFAF	
CN[C@]12CCCC[C@@H]1Cc1ccsc12	27739444	ONFGTFYUJIVLQQ-ZYHUDNBSSA-N	207.342	2.909	0	1	BFAF	
CCOc1cccnc1Nc1cccc(C)n1	28525711	ORDSOSQROZOFQQ-UHFFFAOYSA-N	229.283	2.927	0	1	BFAF	
O=C(O)c1ccc(Oc2ccccc2)c(O)c1	28869377	KCIALBPOCOGYNE-UHFFFAOYSA-N	230.219	2.883	0	1	BFAF	
C[C@H]1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1	29311297	OJCJIVYNZFHBOS-FIXISWKDSA-N	240.350	2.933	0	1	BFAF	
Cc1c(O)ccc2c1CC[C@]1(C)[C@@H](O)CC[C@@H]21	29483214	JCOCQDKHVDAJMG-QEJZJMRPSA-N	232.323	2.891	0	1	BFAF	
O=C1NCc2c1cccc2-c1cccs1	63540023	GHHHKQJZQNKCCH-UHFFFAOYSA-N	215.277	2.659	0	1	BFAF	
FC(F)(F)c1ccc2c(c1)[C@@H]1CNC[C@@H]2C1	100425682	RNOBTWYQAWEZHH-YUMQZZPRSA-N	227.229	2.880	0	1	BFAF	
CN(C)[C@@H]1[C@@H]2CC[C@H](CC2=O)[C@@H]1c1ccccc1	100839596	ZZMFVOLMDOEQOA-LUYZLQTOSA-N	243.350	2.699	0	1	BFAF	
CN1CCCC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]13	101547570	YHYGFDSOGXVEJJ-YCQMLSDISA-N	205.345	2.907	0	1	BFAF	
CN1C[C@@H]2c3c(N)cccc3[C@@H]1[C@@H]1CCC[C@H]21	169314487	JOOBQJINBSHFNJ-HOZXKAFVSA-N	228.339	2.769	0	1	BFAF	
C[C@H]1CC[C@@H](O)C2=CC[C@@H](C(C)(C)O)C[C@@]21C	238746071	JALLKVGSXAOCKA-FMVNMVDZSA-N	238.371	2.891	0	1	BFAF	
Cc1cc2[nH]c([C@@H](O)CC(C)C)nc2c(C)n1	586901043	NDABJXAROSITMQ-NSHDSACASA-N	233.315	2.654	0	1	BFAF	
CC[C@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	587956759	VYPZYKKETUWCMT-QMMMGPOBSA-N	243.310	2.961	0	1	BFAF	
Cc1c(F)ccc2c1[C@]1(CCOC[C@@H]1C)NCC2	962303949	YPDNWZYHSKHUMJ-ZUZCIYMTSA-N	249.329	2.532	0	1	BFAF	
C[C@H]1C(=O)C2=C(CC(C)(C)C2)[C@@](C)(O)C12CC2	14455575	DNFFXGIQBVWGGT-LKFCYVNXSA-N	234.339	2.853	0	1	BFAF	biogenic
C[C@H](O)CC[C@@H]1[C@@H](C)C[C@@H](O)CC1(C)C	14587719	YLDOBTZIBQRAPU-NNYUYHANSA-N	214.349	2.581	0	1	BFAF	biogenic
CC1(C)Oc2c(ccc3ccccc23)C[C@@H]1O	15212812	JLCZJLBZDVFHJM-ZDUSSCGKSA-N	228.291	2.914	0	1	BFAF	biogenic
Cc1ccc2c3c([nH]c2c1)CC[C@@H](N(C)C)C3	39214051	CHPRTJOTBLXXLN-LLVKDONJSA-N	228.339	2.895	0	1	BFAF	
C[C@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@@H]1CCC[C@@H]21	253639407	FMBYQEIJDWNYNT-HFSZIEEESA-N	228.339	2.815	0	1	BFAF	
Clc1ccc([C@@H]2C[C@H]3CC[C@H]2NC3)cn1	253685537	JZQKWOHBHFFOKX-DVVUODLYSA-N	222.719	2.591	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1	586891490	RGCPNGLJZOQKEQ-YMTOWFKASA-N	243.310	2.565	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2ccc(O)cc2[nH]1	586911112	KOHKWMBGBLCTPO-ZWNOBZJWSA-N	246.310	2.941	0	1	BFAF	
Oc1ccc2c(c1)CNc1cc(O)ccc1N2	1857765950	SMNFPJBFMLACSQ-UHFFFAOYSA-N	228.251	2.767	0	1	BFAF	
CC=C(C)[C@H](O)c1cc(C(C)=O)ccc1O	2356666773	OVVAVVMDNSLTHN-ZDUSSCGKSA-N	220.268	2.594	0	1	BFAF	
CCCCNC(=O)OCCCCCCCCO	28361139	JUSFQEVYJNAGHE-UHFFFAOYSA-N	245.363	2.846	0	1	BFAF	
CSc1ccc2nc([C@@H](N)[C@H](C)F)[nH]c2c1	587126831	ZQUHUIJUSRVVBB-WKEGUHRASA-N	239.319	2.643	0	1	BFAF	
N[C@H](N=O)c1cccc(Cl)c1Cl	957592847	YGDRGPCIVGNPEJ-SSDOTTSWSA-N	205.044	2.717	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)[C@@]3(C)CCC(CO)=C3[C@H]2C1	2356324168	HGQHREUJQQAMKD-PGUXBMHVSA-N	234.339	2.711	0	1	BFAF	
CC1=C[C](N)N(Cc2cccc(F)c2)C=C1	2356823550	URKAUFVGVLWAKD-UHFFFAOYSA-N	217.267	2.549	0	1	BFAF	
CSc1cccc2[nH]cc(CCN(C)C)c12	3650189	YWCOPJQNWPEWQP-UHFFFAOYSA-N	234.368	2.994	0	1	BFAF	
Cc1ccc(C(=O)OC2CCN(C)CC2)cc1C	29312923	CRAIMSAYLPLKDM-UHFFFAOYSA-N	247.338	2.554	0	1	BFAF	
COCCNc1nccc2[nH]c3ccccc3c12	40429261	LPEINBBGPPSKIU-UHFFFAOYSA-N	241.294	2.774	0	1	BFAF	
CC1=C[C@@H]2Cc3nc4[nH]ncc4c(N)c3[C@H](C1)C2	45286191	DAJQGVGIMGGYKT-DTWKUNHWSA-N	240.310	2.536	0	1	BFAF	
c1ccc(Cc2cn(Cc3ccccc3)nn2)cc1	72124889	UQFYTTMJPYLAJY-UHFFFAOYSA-N	249.317	2.917	0	1	BFAF	
CN1C[C@@H]2CC(c3cncc(F)c3)=C[C@@H](C2)C1	95574492	ZMEGTXPZASMCHV-MNOVXSKESA-N	232.302	2.576	0	1	BFAF	
Clc1cc([C@@H]2C[C@@H]3CC[C@@H]2N3)cnc1Cl	100023267	LYYHSRQOEYGVSA-NRPADANISA-N	243.137	2.996	0	1	BFAF	
C[C@H]1CC[C@H](CO)[C@](C)(O)C2=CC(C)(C)C[C@H]21	143559065	KQDBJTFTSGZHJB-OXIQGZBJSA-N	238.371	2.748	0	1	BFAF	
Cc1nc(NC(=O)C2CCCC2)c(C)c(C)c1O	221291599	HOKNLYZIWDCFHT-UHFFFAOYSA-N	248.326	2.841	0	1	BFAF	
CC(C)=CCOc1cc2ccc(=O)oc2cc1O	238785308	VAIDQMRDCJKVKT-UHFFFAOYSA-N	246.262	2.844	0	1	BFAF	
O=C1CCCc2c(nc3cccc4c3c2CC4)C1	587215375	MIRWUCWRBGSLMG-UHFFFAOYSA-N	237.302	2.781	0	1	BFAF	
Cc1cc2[nH]c(CC3CC3)nc2c(C)n1	587958623	BZSYBOUNRNIBMH-UHFFFAOYSA-N	201.273	2.527	0	1	BFAF	
C[C@@H]1C(=O)C[C@@H]2C(C(=O)O)=C[C@H]3CC(C)(C)C[C@]123	2356801226	QNHNMKVZFMGGJB-NTDWFJSYSA-N	248.322	2.659	0	1	BFAF	
COc1cccc2c1CCC[C@H]2c1c[nH]cn1	21287	XVZVIENUEBLQBC-LLVKDONJSA-N	228.295	2.887	0	1	BFAF	
CC[C@H]1Oc2ccccc2-n2cccc2C1=O	5846131	LNOPTPVUFDCREE-GFCCVEGCSA-N	227.263	2.831	0	1	BFAF	
CN1CCC[C@@H]1C[C@@H](O)/C=C/c1ccccc1	14955969	RIYVUZHFPDAAIC-SPZIKGKASA-N	231.339	2.545	0	1	BFAF	
C[C@H]1C(=O)C[C@H]2[C@H]3[C@H]1[C@@]2(C)CCC(=O)C3(C)C	104357494	PZYLIQGFDJFRCZ-UDVZWPTNSA-N	234.339	2.853	0	1	BFAF	endogenous,in-man
C[C@@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)C[C@H](O)[C@@]12C3	257403666	DDUWSZBURGHFEW-SHTIJGAHSA-N	236.355	2.789	0	1	BFAF	endogenous,in-man
Cc1ccc(-c2csc(C[C@H](N)N=O)n2)cc1	958040019	ZFSRJSLOCOGNFA-LLVKDONJSA-N	247.323	2.712	0	1	BFAF	
CCOC(=O)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	1772597670	MOGRTXHBIPWFGN-KUZKSGFYSA-N	208.301	2.622	0	1	BFAF	
Fc1ccccc1CN1CC[C@@H](c2cc[nH]n2)C1	72187741	LGEHEUZQRGXULN-GFCCVEGCSA-N	245.301	2.538	0	1	BFAF	
CC1(C)C[C@H]2[C@H]1[C@@H]1C[C@]1(C)[C@H](O)CC[C@@]2(C)O	86001542	USFOCJBPTUMHRF-LMONPCFVSA-N	238.371	2.581	0	1	BFAF	in-man
C[C@H]1CC[C@H](C(=O)CCCC(=O)O)CC1	100940763	QPEBOUXRMDEXCZ-AOOOYVTPSA-N	212.289	2.637	0	1	BFAF	
C[C@@]1([C@@H]2CCCN2)CCCCCCCC(=O)O1	238777029	HXFUVYFNBRBBPM-JSGCOSHPSA-N	239.359	2.785	0	1	BFAF	
C(=C/c1nc2cnncc2[nH]1)\c1ccsc1	587026117	RLECBAODSKQEHL-OWOJBTEDSA-N	228.280	2.585	0	1	BFAF	
CC(C)(C)c1ccc2[nH]c(O)c(N)c2c1	957950246	PVSLVQMSUMZPMZ-UHFFFAOYSA-N	204.273	2.753	0	1	BFAF	
CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](O)C1	8470507	SUAPQGLGNKUSLY-TUVASFSCSA-N	238.371	2.891	0	1	BFAF	biogenic
COc1cccc2c1[nH]c1ccc(CO)cc12	14610482	SGZIASPZRSVPDJ-UHFFFAOYSA-N	227.263	2.822	0	1	BFAF	endogenous,in-man
COc1ccc2[nH]c3c(c2c1)CCN(C)[C@@H]3C	14697392	KJRZKSZBOCUMNO-SECBINFHSA-N	230.311	2.725	0	1	BFAF	biogenic,in-vitro
COc1ccc(C=CCO)cc1[C@H]1C=C(C)CO1	2356465141	HVEZDXZXIXZTMG-OAHLLOKOSA-N	246.306	2.718	0	1	BFAF	
C[C@@H](CO)[C@]12CC[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@@H]1C2	2356600580	QDCOGXJHEDTDOW-YXJLRHLOSA-N	238.371	2.989	0	1	BFAF	
C[C@@H](O)CCCC=Cc1cccc(O)c1C=O	2356718884	IXCJIFVAQRHSSH-LLVKDONJSA-N	234.295	2.769	0	1	BFAF	
Cc1cc2c(cc1O)[C@@H](C)C=C[C@H](C(C)(C)O)O2	15153295	WYQLDPBFXNVPJE-LKFCYVNXSA-N	248.322	2.892	0	1	BFAF	endogenous,in-man
CCCCC[n+]1cccc([C@@H]2CCCN2C)c1	90428227	YGDUPQPZKGHOEN-HNNXBMFYSA-N	233.379	2.931	0	1	BFAF	
O=[S@@](Cc1ccccc1)c1ccccc1O	653851559	OHCBXXLHWRALFL-INIZCTEOSA-N	232.304	2.700	0	1	BFAF	
COc1cc(OC)c(C(=O)C(C)C)c(O)c1C	14593835	FEPANGQIGHBDFZ-UHFFFAOYSA-N	238.283	2.557	0	1	BFAF	biogenic,in-vitro
c1ccc2c3nc[nH]c(N4CCCC4)c-3nc2c1	101897196	MBSORNDODNBYMP-UHFFFAOYSA-N	238.294	2.663	0	1	BFAF	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccccc2[nH]1	587960933	CTTYFIXXYWUCHT-NXEZZACHSA-N	228.295	2.721	0	1	BFAF	
CC1=C2CC3=C(C)[C@H]4C[C@H]4[C@]3(C)C[C@@H]2OC1=O	1772646324	YGSKGHGDRJEPJH-BXKLLYQPSA-N	230.307	2.995	0	1	BFAF	
CCCC/C=C/c1cccc2nncn12	61906846	OBYBJIQUJKFGCX-FNORWQNLSA-N	201.273	2.933	0	3	BFAF	
C[C@@H]1C=C(c2ccc(Cl)cc2)C(=O)O1	3654495	YCKDNOINSAWPPK-SSDOTTSWSA-N	208.644	2.669	0	1	BFAF	
Cc1cccc2c1Oc1ccccc1S2(=O)=O	13779744	BZMSQWXLEYEFTD-UHFFFAOYSA-N	246.287	2.934	0	1	BFAF	
CC1=C2c3cc(C)c(O)cc3[C@H](C)C[C@@H]2OC1=O	14445079	CNHPRYNNWGQLLZ-UHLUBPPHSA-N	244.290	2.907	0	1	BFAF	biogenic
CC1=C[C@@H]2C(=C(C)[C@H](O)C[C@@H]2C(C)C)C[C@H]1O	14917839	RXNOTJZHBCKHOO-FAAHXZRKSA-N	236.355	2.667	0	1	BFAF	biogenic
CCCC1(c2nc3ccnc(O)c3[nH]2)CCC1	586877957	YSMRXYVMDQSYBS-UHFFFAOYSA-N	231.299	2.885	0	1	BFAF	
COc1cccc(C)c1-c1nc2cnccc2[nH]1	587786764	MNUNZIUNABUPGM-UHFFFAOYSA-N	239.278	2.942	0	1	BFAF	
Nc1nc(-c2ccc3[nH]c(O)cc3c2)cs1	958040015	OTSNRTCNFFPSKH-UHFFFAOYSA-N	231.280	2.579	0	1	BFAF	
COc1cc(C=Cc2cccc(O)c2)oc(=O)c1	2356627607	OTUOXICPKZUISB-UHFFFAOYSA-N	244.246	2.524	0	1	BFAF	
CC1=CC=C[CH]N1CC(=O)c1ccccc1	2356866890	ZHCSAXVECPGBEZ-UHFFFAOYSA-N	212.272	2.807	0	1	BFAF	
NCc1ccccc1C1CSCSC1	1633554	PTKLPAXKGHNKDZ-UHFFFAOYSA-N	225.382	2.666	0	1	BFAF	
O=Cc1ccc2c(c1)ncn2-c1ccccc1	13782581	CVLRLLPCDQDBIQ-UHFFFAOYSA-N	222.247	2.838	0	1	BFAF	
O=C1Oc2ccccc2/C1=C\c1ccc(O)cc1	28523545	SGPJUURWZOSLNV-UKTHLTGXSA-N	238.242	2.852	0	1	BFAF	
CC(=O)N(c1ccc(O)cc1)c1ccc(O)cc1	40431136	GPORWCRXAOCCFI-UHFFFAOYSA-N	243.262	2.782	0	1	BFAF	
CCO[C@@H]1CCC(C)(C)C(C(=O)O)=C1C	238760132	UVACBFHXWDZQAS-SECBINFHSA-N	212.289	2.613	0	1	BFAF	
CC(C)=CCC[C@@H](C)[C@@H]1C[C@H](O)C=C[C@H]1O	238782742	SUVNWYDXCRSEDC-YIYPIFLZSA-N	224.344	2.667	0	1	BFAF	
CO[C@@H]1C=C2Cc3occ(C)c3C(=O)[C@H]2[C@@H](C)C1	2356406570	ZTQAWNAQPWOWCS-QWRKXWFKSA-N	246.306	2.924	0	1	BFAF	
CCCCC[C@@H]1CC=C[C@H](O)CCCC(=O)O1	2356629196	UYQOFPNMJKJWGM-QWHCGFSZSA-N	240.343	2.970	0	1	BFAF	
CCCCCC=CCC[C@H](O)CC(=O)O	2356648763	PCZWZQDPYMZGMC-NSHDSACASA-N	214.305	2.739	0	1	BFAF	
C[C@]12CCC[C@@](C)(CO)[C@H]3[C@@H]1CC[C@@]2(C)[C@H]3O	2356723372	GJIFFFJEPUFSMW-LZXPERKUSA-N	238.371	2.582	0	1	BFAF	
CN(C)[C@H]1CC12C1CC3CC(C1)CC2C3	3637400	ZYIWGNOFGYPVSI-QBBLGZLKSA-N	205.345	2.763	0	1	BFAF	
Cc1cccc2c1CC/C2=C\C(=O)NC1CC1	27326642	QZPFAVIBFTUIJL-PKNBQFBNSA-N	227.307	2.603	0	1	BFAF	
CCCCN1CCC=C(c2nc(C)ns2)C1	103192426	GCDMWQWKNIOSPG-UHFFFAOYSA-N	237.372	2.736	0	1	BFAF	
CC1(C)C[C@@H]2C(CO)=CC=C[C@@]3(C)CC[C@]21O3	155694061	RWVYJGDLHSWPSM-SNPRPXQTSA-N	234.339	2.829	0	1	BFAF	
Cc1ccc([C@@H](C2COC(C)OC2)N(C)C)cc1	169323019	XNNJRYYVNYMYDR-ZALBZXLWSA-N	249.354	2.607	0	1	BFAF	
Cc1nccc2[nH]c([C@@H]3CCCC(=O)CC3)nc12	586883757	DKONKOJGOINELH-SNVBAGLBSA-N	243.310	2.883	0	1	BFAF	
CC(C)Cn1cnc2c(=O)[nH]c3ccccc3c21	28521511	VCNBWNGENQSKKZ-UHFFFAOYSA-N	241.294	2.534	0	1	BFAF	
NC1=N[C@H](c2ccc(Cl)cc2C2CC2)CO1	169698895	OHEHXHSMXPWYQM-NSHDSACASA-N	236.702	2.603	0	1	BFAF	
Cc1cc(Cl)cc2nc([C@@H]3O[C@H]3C)[nH]c12	586917659	ULVAXOMQHGQZBC-QUBYGPBYSA-N	222.675	2.985	0	1	BFAF	
O=NCc1ccc(-c2cccc(C(=O)O)c2)o1	957671181	LULNDOUOKGGAJT-UHFFFAOYSA-N	231.207	2.911	0	1	BFAF	
CC1(C)[C@@H]2CC[C@](C)(O)C3=CC[C@](C)(O)[C@@H]3[C@@H]21	2356579132	QZKYEOSYHRKCOW-FWTMIXAASA-N	236.355	2.501	0	1	BFAF	
NC1=N[C@@H](c2ccccc2)Cc2ccccc21	3959789	NXQKWROQUYKWQS-CQSZACIVSA-N	222.291	2.689	0	1	BFAF	
CC1(C)C=Cc2c(c(O)cc3oc(=O)ccc23)O1	13400121	OGTYTYOKQRCQEM-UHFFFAOYSA-N	244.246	2.683	0	1	BFAF	biogenic,in-vitro
C[C@H]1C=C2N3CCC[C@H]4C(=O)C[C@@H](C1)[C@@]24CCC3	15214621	ANHVSCXCALAIQN-NFFDBFGFSA-N	245.366	2.991	0	1	BFAF	
CC1=C[C@@H]2c3ccccc3CC[C@H]2N(C)C1	27889133	ZUMIIVFYBVDSAZ-HUUCEWRRSA-N	213.324	2.977	0	1	BFAF	
Clc1ncnc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2	49803404	HCMOLGILLULWHJ-DJLDLDEBSA-N	248.717	2.841	0	1	BFAF	
COc1cc(O)cc(CC=C(C)C)c1OC	95913551	CKJZJFCBROARQA-UHFFFAOYSA-N	222.284	2.918	0	1	BFAF	biogenic,in-vitro
O=C1[C@@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2	136969772	RVZATTSXQJHIRB-UPJWGTAASA-N	221.344	2.620	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2cncc(OC)c2[nH]1	586887722	HMXADUSVOGETBW-OQPBUACISA-N	231.299	2.870	0	1	BFAF	
Nc1ccc(/C=C/c2nc3cnccc3[nH]2)cc1	587251715	LZROBAQYZUPEIJ-ZZXKWVIFSA-N	236.278	2.711	0	1	BFAF	
CC[C@H](O)[C@H](C)C1=C(C)C(=O)[C@@H](C)[C@@H](CC)O1	14696667	RYMJYHVKZRJHCX-FSZOTQKASA-N	240.343	2.681	0	1	BFAF	biogenic
CC1(C)C=Cc2cc(/C=C/C(=O)O)ccc2O1	15119499	IHRUERBZEZCICE-GQCTYLIASA-N	230.263	2.969	0	1	BFAF	
COc1ccc2c(c1)[C@@]1(N)CCCC[C@@H]1CC2	26150101	IDMWBLWTWIEBSD-IUODEOHRSA-N	231.339	2.986	0	1	BFAF	
COc1cccc2c1C=[N+]([O-])C1(CCCCC1)C2	38392837	YNFAYEJFGSIBQY-UHFFFAOYSA-N	245.322	2.883	0	1	BFAF	
CCN1c2ccccc2[C@@]2(CC)CCN(C)[C@H]12	40846321	OSITUDRHKICEAS-HUUCEWRRSA-N	230.355	2.836	0	1	BFAF	
Cc1ccc(-n2cc(-c3ccncc3)nn2)cc1	72159747	LRUVHPUUVDTAJI-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
Nc1cc(Cl)cc2c3cc[nH]cc-3nc12	100831976	FABOSUOOKGJVIC-UHFFFAOYSA-N	217.659	2.903	0	1	BFAF	
CCN1CCC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]13	101556380	QDOXGRGGXMWJPM-RGLKLLMLSA-N	205.345	2.907	0	1	BFAF	
CC1=C[C@@]2(C)C(=CCC[C@@H]2C)CC[C@H](O)[C@H]1O	1857606755	CSNFIYPQPZDSOX-CYUUQNCZSA-N	236.355	2.811	0	1	BFAF	
COc1ccc2c(c1)[C@H]1CCCN(C)[C@@H]2C1	27523982	INLXGNMYXKPYGX-IINYFYTJSA-N	217.312	2.949	0	1	BFAF	
CC(=O)C[C@@H](O)/C=C/c1ccc(Cl)cc1	29473256	QUCWVWLWAOCEJD-NTYUQYKDSA-N	224.687	2.693	0	1	BFAF	
CNc1ncnc(NCc2ccccc2)c1N=O	34639107	CZTMWBPQGHNJGX-UHFFFAOYSA-N	243.270	2.528	0	1	BFAF	
COc1ccc2c(c1)O[C@@H](c1ccco1)CC2=O	39151362	JNTSJKLYDALISK-CQSZACIVSA-N	244.246	2.995	0	1	BFAF	
CCN(CC)C(=O)c1cc(C(C)C)ccc1O	64491878	WOTVODFDRWDFCE-UHFFFAOYSA-N	235.327	2.998	0	1	BFAF	
Cc1ccc2c(=O)cc(-c3cccnc3)[nH]c2c1	66251675	NBWGZJZKFBWSRX-UHFFFAOYSA-N	236.274	2.899	0	1	BFAF	
COc1ccc2ccccc2c1/C=C/NC(C)=O	95593114	LBLXNWAPKXWSIO-MDZDMXLPSA-N	241.290	2.955	0	1	BFAF	
CCCc1cc(-c2ccc(O)cc2)no1	299836708	HOCCAQJMMVVFNJ-UHFFFAOYSA-N	203.241	3.000	0	1	BFAF	
CCC[C@H](CC)OCN1C=CN(C)C1=CN=O	1857572808	UKWOTEFPMKWCEL-NSHDSACASA-N	239.319	2.823	0	1	BFAF	
COC(=O)C=CSC(=S)[C@@H]1CCCC1=N	1857741984	WMJRFIIGUVFVCH-SSDOTTSWSA-N	243.353	2.554	0	1	BFAF	
CC1=CC(=CCC[C@H](C)O)CN2CCCC[C@@H]12	2356806631	AHEJLXVLILVPHL-ZFWWWQNUSA-N	235.371	2.888	0	1	BFAF	
CC1(C)C[C@@]23C(=O)CC[C@@H](O)[C@@]2(C)CC[C@H]13	3978575	UHRWOVVMQAASAO-DMTCVQMQSA-N	222.328	2.543	0	3	BFAF	in-vitro
[O-][n+]1onc2cc(/C=C\c3ccccc3)ccc21	28654732	CWZSPVXVZKGUJF-SREVYHEPSA-N	238.246	2.632	0	1	BFAF	
CN(C)[C@@H]1CCc2[nH]c3c(F)cccc3c2C1	39214023	YDZUITAQDVNOEJ-SECBINFHSA-N	232.302	2.726	0	1	BFAF	
C1=C(c2cc3c4c(cccc4n2)CC3)OCCO1	587216285	YSCVFKMUWVFUNH-UHFFFAOYSA-N	239.274	2.679	0	1	BFAF	
Cc1nc(-c2ccc([C@H](N)N=O)cc2)cs1	958040010	JODHENHWYHSTIK-LLVKDONJSA-N	233.296	2.842	0	1	BFAF	
C=CC=CCC[C@H](O)[C@H](O)CCC=CC	2356532474	MJLQEGJBMARMTJ-OLZOCXBDSA-N	210.317	2.587	0	1	BFAF	
C[C@H]1[C@@]2(C)CC[C@H]3[C@@H](CC[C@]31C)[C@](C)(O)O2	2356592801	KWEHQSJHTLFZSW-QQOHENMQSA-N	224.344	2.946	0	1	BFAF	
CCO[C@H]1CCC(C)(C)C(C(=O)O)=C1C	2356617228	UVACBFHXWDZQAS-VIFPVBQESA-N	212.289	2.613	0	1	BFAF	
CCCCN=c1cc(O)oc2ccccc12	2356855445	RDNLNBBSHYZLBG-UHFFFAOYSA-N	217.268	2.839	0	1	BFAF	
CCO[C@H]1NC(=O)Oc2cc3ccccc3cc21	1637712	RKAJAMTWZXNAJC-CYBMUJFWSA-N	243.262	2.977	0	1	BFAF	
O=c1oc(Oc2ccccc2)nc2ccccc12	3625578	HEUHCZWBJKOXNK-UHFFFAOYSA-N	239.230	2.980	0	1	BFAF	
Cc1ccc([C@](C)(O)C/C=C/C(C)(C)O)cc1	13377442	SPZUMECVMNZCHK-HYJLXUOHSA-N	234.339	2.920	0	1	BFAF	
CC[C@@H](C)c1ccccc1OCC1=NCCN1	13805970	CNNRRYTXQNWARY-LLVKDONJSA-N	232.327	2.581	0	1	BFAF	
CC(C)=CCc1c(O)ccc(/C=C/C(=O)O)c1O	15114978	MRMWRWJVPXDMEJ-VMPITWQZSA-N	248.278	2.704	0	1	BFAF	
O=C1N[C@@H]2CCCc3ccc(Cl)cc3[C@H]2O1	26643329	ITKXZBDTKKDOPI-GHMZBOCLSA-N	237.686	2.826	0	1	BFAF	
COc1c(C)c(C)c(C)c2c1C(=O)O[C@H]2C	238770984	KZEOMHLMKSCKRC-VIFPVBQESA-N	220.268	2.852	0	1	BFAF	
Oc1ccccc1[C@H](O)/C=C/c1ccccn1	299857099	CMCAVJLJULGXKY-MYSGNRETSA-N	227.263	2.534	0	1	BFAF	
C1=C(c2nc3cc4c(cc3[nH]2)OCCO4)CCC1	586883910	MZYUYVMMQLKTHG-UHFFFAOYSA-N	242.278	2.901	0	1	BFAF	
Oc1nc2cc3nc(C4=CCCC4)[nH]c3cc2[nH]1	586884960	RUAPRANFOABAIU-UHFFFAOYSA-N	240.266	2.712	0	1	BFAF	
CC(C)[C@](C)(O)c1nc2ccc(F)c(F)c2[nH]1	586887448	IESVFUDLXDHULV-LBPRGKRZSA-N	240.253	2.705	0	1	BFAF	
CCC[C@H](O)CC(=O)CCc1ccc(F)cc1	1911577829	CWPJNBUBFZMGFB-ZDUSSCGKSA-N	238.302	2.879	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]1C=C(CO)CC[C@H]2O	2356501681	KCFDRPUCBYFXQR-GUTXKFCHSA-N	238.371	2.892	0	1	BFAF	
O=C1N[C@@H]2CCCC[C@@H]2C12CCCCC2	5566799	BCCUWGUVYFRVJW-WDEREUQCSA-N	207.317	2.626	0	1	BFAF	
CC[C@@H](N)[P@@](=O)(O)Oc1cc(C)ccc1C	49071964	WKUSAHQMGACOLN-NSHDSACASA-N	243.243	2.562	0	1	BFAF	
CCc1cc(-c2c[nH]c3ncccc23)ncn1	653869573	XCHQDJAALISOEY-UHFFFAOYSA-N	224.267	2.582	0	1	BFAF	
CN=[S@](C)(=O)c1ccc(C(F)(F)F)cc1	1772609458	NPBVBQCHZPFJPO-OAHLLOKOSA-N	237.246	2.792	0	1	BFAF	
CC(C)=CCc1ccc(O)c2c1C=CC(=O)OC2	2356391945	IYXDBCJKVRFOBV-UHFFFAOYSA-N	244.290	2.971	0	1	BFAF	
CCCC[C@@H]1[C@H](C)C[C@@H]2CCC3=C2[C@@H]1NC(=N)N3	2356415169	BOOHKNSPXWBALG-FBKDDSFISA-N	247.386	2.993	0	1	BFAF	
CC1=C[C@@H]2OC(=O)[C@@H](C)[C@@H]2C(=O)CC(C)=CCC1	2356577848	URFIRNUWJNYBPE-FPMFFAJLSA-N	248.322	2.810	0	1	BFAF	
CC=CC=C[C@@H]1Cc2ccc(C)c(O)c2C(=O)O1	2356827728	IOUZLGAJKCJHJT-GFCCVEGCSA-N	244.290	2.914	0	1	BFAF	
C/C=C/c1cc(OC)cc(OC)c1OC	27190540	VWEDKGLQURJRPK-AATRIKPKSA-N	208.257	2.746	0	1	BFAF	
Fc1ccc2c(c1)CC[C@@H]1[C@@H]2N=C2SCCN21	28770742	HDQBMBJLYOGRAR-VXGBXAGGSA-N	248.326	2.600	0	1	BFAF	
O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2	40954832	BBCQJSMDKDHVKG-UHFFFAOYSA-N	244.338	2.669	0	1	BFAF	in-vivo
O=C(CN[C@H]1C[C@@H]1c1ccccc1)CC1CC1	96172269	DDRSEUSKXWNJCJ-CABCVRRESA-N	229.323	2.501	0	1	BFAF	
c1ccc([C@]23CCCN[C@@H](CC2)C3)cc1	101194820	GTIANQVFLDRAFB-UONOGXRCSA-N	201.313	2.860	0	1	BFAF	
CC[C@H](C)[C@@H](C)OCN1C=CN(C)/C1=C\N=O	219803884	RYXHWAQIUHASNX-UKOINSAQSA-N	239.319	2.679	0	1	BFAF	
Cc1cccc2nc([C@](C)(O)C(C)C)[nH]c12	586890003	OVHXFUHOINPKCE-CYBMUJFWSA-N	218.300	2.735	0	1	BFAF	
Cc1c(F)ccc2nc(-c3csc(O)n3)[nH]c12	587018352	WGGHXARVUZRVOL-UHFFFAOYSA-N	249.270	2.840	0	1	BFAF	
Fc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1	587086194	WVODOJDHINHMRT-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
Oc1nc2cc3nc(C=C4CCC4)[nH]c3cc2[nH]1	587964676	GAIVWZUBKWVZIC-UHFFFAOYSA-N	240.266	2.712	0	1	BFAF	
c1cnc2c(c1)Sc1ccncc1N2	1857749641	KESMPKDPZBGGER-UHFFFAOYSA-N	201.254	2.685	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC(=O)[C@@]2(C)O)C1(C)C	2356738342	KHKPHGFRCLTIRU-ZLDQFNNOSA-N	236.355	2.645	0	1	BFAF	
COC1=C2C=CO[C]2Nc2ccccc21	2356858101	MSUGLTYUDCADQV-UHFFFAOYSA-N	200.217	2.503	0	1	BFAF	
CCOP(=O)(OCC)[C@@](C)(CC)NC	1646008	TXVVXXMNYJCVPX-VIFPVBQESA-N	223.253	2.598	0	1	BFAF	
CC(=O)N1C2=CCC[C@]2(C)c2ccccc21	5602196	IJHRIBAHRJZPQO-CQSZACIVSA-N	213.280	2.989	0	1	BFAF	
COC(=O)C/C=C1\c2ccccc2[C@@H](OC)[C@H]1C	7992502	BAHWNFBCNAWEMW-ANYQOJIUSA-N	246.306	2.970	0	1	BFAF	
C[C@@H]1N(C)[C@@H]2CCC[C@@]1(c1cccc(O)c1)C2	33828064	JKOWKYCFCWDUJV-NJZAAPMLSA-N	231.339	2.907	0	1	BFAF	
CC(C)N(Cc1c[nH]cn1)c1cccc(F)c1	95560127	HEUCYCGZZOKAMQ-UHFFFAOYSA-N	233.290	2.964	0	1	BFAF	
C1=CN2[C@H]3CCCCN3C[C@@H]3CCC[C@@H](C1)[C@H]32	238773955	QGBQJDAVTCNHQI-ZQDZILKHSA-N	232.371	2.816	0	1	BFAF	
CC(=O)[C@H]1[C@H](c2ccccc2)C[C@H]2CC[C@H]1N2C	261116958	IXBQQRJVGUUKAO-QXSJWSMHSA-N	243.350	2.842	0	1	BFAF	
C1=CC[C@@H](CN2CC[C@@H](c3cc[nH]n3)C2)CC1	621431808	OBAPYLMKIHNJHU-CHWSQXEVSA-N	231.343	2.555	0	1	BFAF	
C1=C[C@@H]2N=C(c3ccncc3)c3cccn3[C@@H]2C=C1	1857596766	MGNSPDWMLCRWRT-UONOGXRCSA-N	247.301	2.770	0	1	BFAF	
CCCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@@H](C)N=C(N1)N23	2356467446	QUHWOQFRSXUNPM-SYQHCUMBSA-N	249.402	2.910	0	1	BFAF	
CC(C)CC=C1OC(=O)C2=CC=CC[C@@H]12	2356621345	XUAVGKDSFAWBLN-SNVBAGLBSA-N	204.269	2.976	0	1	BFAF	
Cc1ccc2c(=O)cc(-c3ccsc3)[nH]c2n1	6522909	YDMOCWCIGJOTHE-UHFFFAOYSA-N	242.303	2.960	0	1	BFAF	
CC(C)=CCc1c(O)cc(C)c(C(=O)O)c1O	13335310	FZLIGQLGBRLYQX-UHFFFAOYSA-N	236.267	2.613	0	1	BFAF	biogenic
C=CC1=C([C@@H]2CO[C@@H]3OC(=O)C[C@@H]32)CC(C)(C)C1	13436826	FZBGHAWOESBUMD-MPKXVKKWSA-N	248.322	2.825	0	1	BFAF	biogenic
CC1=C2c3cc(C)ccc3[C@H](C)C[C@]2(O)OC1=O	14445092	PLJGICLYVCMFRO-PSLIRLAXSA-N	244.290	2.521	0	1	BFAF	biogenic
C=C1CC[C@@]2(O)[C@H]1C(=O)[C@@H](C(C)C)CC[C@H]2C	14454451	YFBDNDYPTKETGA-BHPKHCPMSA-N	236.355	2.955	0	1	BFAF	biogenic
C[C@@]1(O)C(=O)C[C@]2(C)C[C@H]1[C@]1(C)CCC[C@]21C	14454471	SGIUMVADVLGEMU-RCXZEQIESA-N	236.355	2.933	0	1	BFAF	biogenic,in-vitro
COc1ccc([C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CN)cc1	100822731	KMHOEPPHTBTLAR-NZBPQXDJSA-N	231.339	2.784	0	1	BFAF	
c1ccc(-c2ncc(-c3ncco3)cn2)cc1	118622585	YDINKXNRCPHFLY-UHFFFAOYSA-N	223.235	2.799	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@H](O)[C@@H]2CCO	238755953	RQNYHDXQABTVAQ-PWNZVWSESA-N	240.387	2.972	0	1	BFAF	
N[C@H]1CC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1	587247293	YFKCARPETICPMV-XPUUQOCRSA-N	239.681	2.560	0	1	BFAF	
COC(=O)C=CC=CC=Cc1ccccc1	2356379787	HZRVHZNFPGTNHI-UHFFFAOYSA-N	214.264	2.985	0	1	BFAF	
Cc1ccc([C@](C)(O)CC=CC(C)(C)O)cc1	2356425811	SPZUMECVMNZCHK-OAHLLOKOSA-N	234.339	2.920	0	1	BFAF	
CC(=CCC[C@@]1(C)[C@H]2CCC(CO)=C[C@@H]21)CO	2356777688	BOEUJLMNWCJKHN-KKUMJFAQSA-N	236.355	2.670	0	1	BFAF	
Fc1ccc2c(c1)CC[C@@H]1N=C3SCCN3[C@@H]21	28768697	XPMOYSXNDWOZFZ-RYUDHWBXSA-N	248.326	2.600	0	1	BFAF	
CCCC[n+]1cccc([C@@H]2CCCN2C)c1	42922995	PPXAZJZURJHVMV-AWEZNQCLSA-N	219.352	2.541	0	1	BFAF	
O=c1c2ccc[nH]c-2cn1-c1ccc(Cl)cc1	169714862	BABBUQVSIQRFEG-UHFFFAOYSA-N	244.681	2.924	0	1	BFAF	
C[C@@H](O)Cc1nc2ccc(C(C)(C)C)cc2[nH]1	586892521	RJLHTZOWHSVBJQ-SECBINFHSA-N	232.327	2.784	0	1	BFAF	
CC1(C)C[C@@H]2[C@H]1C[C@H](O)[C@@]1(C)CCC[C@@]2(O)C1	2356415219	DLQCYNDJQGMHRX-RKEKIRQTSA-N	238.371	2.725	0	1	BFAF	
C[C@@H]1[C@@H]2OC(=O)C3=CC[C@H]4[C@H](C)CC[C@H]1[C@@H]4[C@H]32	2356416654	BFNUVKSKPNBQRT-VTKLNUGRSA-N	232.323	2.786	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C1)[C@@H]1C[C@@H]1[C@H]1COC(=O)[C@@]12C	2356694310	ZBOYMXKAMDFKCP-QVWNPRHXSA-N	234.339	2.868	0	1	BFAF	
CN(C)c1ncnc2ccc(-c3ccoc3)cc12	4265644	RXFCRZSBAMHUMY-UHFFFAOYSA-N	239.278	2.956	0	1	BFAF	
Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2	13606516	ROXDJNYYEVZKBA-UHFFFAOYSA-N	240.258	2.541	0	1	BFAF	
CCO[P@](=O)(O)/C=C/c1ccc(O)cc1	13677800	VQAGZFBCPGMSDV-BQYQJAHWSA-N	228.184	2.585	0	1	BFAF	
CC(C)=CC[C@H](C)c1ncnc2nc[nH]c12	59064595	ARJBIAHZHYEFJG-VIFPVBQESA-N	216.288	2.813	0	1	BFAF	in-vitro
C[C@H]1Cc2nc3cc4cn[nH]c4cc3nc2[C@H]1C	64448534	AZQHPOXMLSDBTK-YUMQZZPRSA-N	238.294	2.802	0	1	BFAF	
COc1ccc(CCC2=NC(=S)N=N2)cc1	103202006	MLLMCBNIDKELDT-UHFFFAOYSA-N	233.296	2.777	0	1	BFAF	
C=C1NC(=O)C(C)=C1c1ccc(Cl)cc1	1857606758	DJLJCPGKUBISBP-UHFFFAOYSA-N	219.671	2.757	0	1	BFAF	
C[C@@H]1CCC[C@]2(CO)CC[C@@H](C(C)(C)O)C[C@@H]12	2356753604	MEFMJWLQDLMIAS-GUIRCDHDSA-N	240.387	2.972	0	1	BFAF	
CC(C)NC(=O)/C=C/c1c[nH]c2ccccc12	1511931	YYUCDVSJWGIKSI-BQYQJAHWSA-N	228.295	2.706	0	1	BFAF	
Cc1ccc(C(C)C)c2c1[C@H](O)[C@H](O)[C@H](C)C2	13381497	OEBHZESREHLVQJ-KMUNFCNLSA-N	234.339	2.705	0	1	BFAF	biogenic
Cc1ccc(-n2nncc2-c2ccncc2)cc1	26170467	WIZYBAKIGOUAKY-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
O=C1OC2(CCCCC2)c2ccnc(S)c21	103253521	NMGYSJXQQCSDKG-UHFFFAOYSA-N	235.308	2.700	0	1	BFAF	
CCN1C(=O)C(C)(C)[C@H]1c1ccccc1OC	169324277	QDRDOWZHLXLAFY-GFCCVEGCSA-N	233.311	2.625	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1	586916988	JPCLCEOJOQCLFB-CLTAVNFZSA-N	244.081	2.725	0	1	BFAF	
CCC(=O)O[C@H](Cn1ccnc1)c1ccccc1	1772601750	WNBBHANBTPFNOU-CYBMUJFWSA-N	244.294	2.578	0	1	BFAF	
Cc1cc2c(c(C)c1O)CCC(C)(C)[N+]([O-])=C2	6772	QOEIVRMUOSANQL-UHFFFAOYSA-N	233.311	2.663	0	1	BFAF	
CC1=C[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@]2(O)CC1	13432238	DGARKVOVVYYTKH-CBBWQLFWSA-N	238.371	2.891	0	1	BFAF	biogenic
CN1CCN(c2csc3ccccc23)CC1	45391871	SGLAESRRTXGXDR-UHFFFAOYSA-N	232.352	2.653	0	1	BFAF	
Cc1cc2[nH]c([C@H]3CC[C@@H](O)CC3)nc2c(C)n1	586895971	DLHJRLDYENERLV-PHIMTYICSA-N	245.326	2.593	0	1	BFAF	
Oc1nccc2nc(-c3ccc(F)c(F)c3)[nH]c12	587145338	LDIDOWMQBIFPDL-UHFFFAOYSA-N	247.204	2.609	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(C)CC1)O2	587407213	YWRZIERTQZBLEG-GFCCVEGCSA-N	231.295	2.711	0	1	BFAF	
CC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446028	RQXMDBLQYNEHPM-YGRLFVJLSA-N	232.279	2.611	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(CC1=O)C[C@H]1C[C@@]12C	2356417393	ZUTBZJSJTAUXPB-ZKXXGFDRSA-N	236.355	2.789	0	1	BFAF	
CCCCC[C@]1(CC(C)=O)CCCC(=O)N1	13308043	CNUUHKVLRVPYKE-CYBMUJFWSA-N	225.332	2.585	0	1	BFAF	biogenic
CCSc1nc2cc(CC)ccc2c(=O)o1	27527103	DUXOZKKJEKUBAV-UHFFFAOYSA-N	235.308	2.862	0	1	BFAF	
c1ccc2c(c1)Cc1cc(C3=NCCN3)ccc1-2	29549488	UBQNOEYTFYCAKT-UHFFFAOYSA-N	234.302	2.608	0	1	BFAF	
C[C@@H]1C[C@H](O)CCCC/C=C\CCCC(=O)O1	33841424	PJUSYCAFQVDQIH-UZMLQMNBSA-N	240.343	2.970	0	1	BFAF	
CCOC(=O)/C=C/n1cnc(-c2ccccc2)c1	45484937	BEKFBSWUSPGORQ-CMDGGOBGSA-N	242.278	2.584	0	1	BFAF	
CSCCCCCCCC[C@@H](NO)C(=O)O	64624892	YUVSLMOWLXLZEG-SNVBAGLBSA-N	249.376	2.512	0	1	BFAF	in-vitro
COc1ccccc1/C=C/[C@@]1(C)C=CC(=O)O1	96921249	OVANPMAUMGGQLM-KGXGESDWSA-N	230.263	2.580	0	1	BFAF	
C[C@]12CC[C@@H]3CC(=O)CC[C@@H]3[C@@H]1CC[C@H]2O	253633073	HHPUADWBUUWGBY-YTLQFRNZSA-N	222.328	2.543	0	1	BFAF	
CCCCN[C@H]1[C@H]2[C@H]3C[C@H]4[C@H]5C[C@@H]([C@H]24)[C@@]1(C)[C@H]35	299814539	LRNABWCLYGWJSN-VAFGAORESA-N	231.383	2.913	0	1	BFAF	
CCC=CC[C@@H]1C(=O)CC[C@@H]1CCC(=O)O	2356500479	UEAQWDUMMDCPBH-MNOVXSKESA-N	224.300	2.803	0	1	BFAF	
CC=C(C)C=Cc1oc(=O)cc(OC)c1C	2356578110	FYADCZYVWPMYFR-UHFFFAOYSA-N	220.268	2.936	0	1	BFAF	
CC(C)N1CCN(c2cccc3ccoc23)CC1	13738326	QWKFIUGESANBKT-UHFFFAOYSA-N	244.338	2.963	0	1	BFAF	
O=C(O)c1c(O)cccc1CC1CCCC1	28861919	SQGBJARGIXIDKY-UHFFFAOYSA-N	220.268	2.823	0	1	BFAF	
CNC(=O)Oc1ccccc1OCC1CCCC1	84669871	MJNGKKDDSQXZGL-UHFFFAOYSA-N	249.310	2.974	0	1	BFAF	
N[C@H]1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2	100067070	INLFGRVNSNAIRT-ZFNBHVESSA-N	222.719	2.576	0	1	BFAF	
O=[N+]1NC(c2ccccc2)=C1c1ccccc1	149941686	AZGUKNCVCMCHIC-UHFFFAOYSA-N	223.255	2.810	0	1	BFAF	
CN(C)CCC[C@]1(O)C[C@H]2C[C@H]3C[C@@H](C2)[C@H]1C3	253917151	HCONCBNXIFELLM-LXFSFDBISA-N	237.387	2.515	0	1	BFAF	
Clc1nccc2nc(CC3CC3)[nH]c12	587959554	OZYLGEJLAPBRKJ-UHFFFAOYSA-N	207.664	2.564	0	1	BFAF	
C[C@@H]1C(=O)CC[C@@]12NCCc1cccc(Cl)c12	963390185	GNTJDGPAHUGRKQ-YMTOWFKASA-N	249.741	2.680	0	1	BFAF	
Oc1ccc2c(c1)N(O)c1ccccc1N2O	2356816708	DEBSRAOJQFMTGI-UHFFFAOYSA-N	230.223	2.760	0	1	BFAF	
C[C@@H](C1=NCCN1)c1ccc2ccccc2c1	13450518	MWIKFEVHBBAXIQ-LLVKDONJSA-N	224.307	2.945	0	1	BFAF	
Cc1cc(=O)oc2cc3c(cc12)[C@@H](C)CO3	13556058	CWRJGLSDXVQPQV-QMMMGPOBSA-N	216.236	2.597	0	1	BFAF	
COc1cc2ccccc2c2c1OC(=O)CC2	13560923	KQMQXDJNDGYRPR-UHFFFAOYSA-N	228.247	2.700	0	1	BFAF	
CC1=CC[C@@H]2C(=O)c3ccccc3[C@H](O)[C@@H]2C1	14723774	VGPZTHUCGDCDIX-GUTXKFCHSA-N	228.291	2.889	0	1	BFAF	biogenic
c1nc([C@@H]2C[C@H]2CNCC2CCCCC2)c[nH]1	35033821	SGHHKDMDVKJWOL-QWHCGFSZSA-N	233.359	2.683	0	1	BFAF	
CC(C)Nc1nc(N(C)C)c2ccccc2n1	169337300	AQXKLKGOEFKMJH-UHFFFAOYSA-N	230.315	2.516	0	1	BFAF	
COc1ccccc1/C=C/c1cc(=O)c(O)co1	215967990	SPSYLUTUJGYBLJ-VOTSOKGWSA-N	244.246	2.524	0	1	BFAF	
CC(C)=CCc1cc2c(cc1O)OC(=O)CC2	238777913	CAYUBWQKHLBAAG-UHFFFAOYSA-N	232.279	2.753	0	1	BFAF	
O=[S@@]1C=C(N2CCCCC2)c2ccccc21	253678942	VJMTVDSAEXZNLY-MRXNPFEDSA-N	233.336	2.592	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@@H]3NC(=N)NC(=C1CC)[C@@H]23	2356460608	CEMGHQSRVMICPV-URBCHYCLSA-N	247.386	2.993	0	1	BFAF	
CCC1=CC[C@@](C)(CC[C@H]2CCC(=O)O2)OC1	2356806330	VRSSQVLGPFLECG-OCCSQVGLSA-N	238.327	2.988	0	1	BFAF	
CC[C@@H](Cc1cc2ccccc2c(=O)o1)OC	13380366	JVPBEOSSMYEDID-NSHDSACASA-N	232.279	2.761	0	1	BFAF	biogenic
Oc1ccc(-c2nc3ccc(O)cc3o2)c(O)c1	13583594	FLDXQSCXJKEXJF-UHFFFAOYSA-N	243.218	2.612	0	1	BFAF	in-vivo
O=NCc1sccc1Br	231500365	IYEIBDXEXHXNGK-UHFFFAOYSA-N	206.064	2.777	0	1	BFAF	
Cc1ccc([C@@H]2CN3CCCC[C@H]3CO2)cc1	299847026	QAGSXAMKOPRXAJ-GJZGRUSLSA-N	231.339	2.921	0	1	BFAF	
CC[C@@H](C)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446436	WUATVEADBMHNOO-BGFNQPPGSA-N	246.306	2.857	0	1	BFAF	
CNc1nc2cc(C)ccc2n2c(C)cnc12	653739783	SOPUHSYRUBUVCQ-UHFFFAOYSA-N	226.283	2.541	0	1	BFAF	
CC(C)[C@@H]1[C@H]2CO[C@H]1[C@@H]1N(C)C[C@@H]3CC[C@H]2[C@]31C	2356485153	VNAJNLDGWVFACK-JLXHXKRVSA-N	249.398	2.634	0	1	BFAF	
C[C@]1(CO)CCC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@H](O)[C@H]31	2356723373	GJIFFFJEPUFSMW-SAAWNECCSA-N	238.371	2.582	0	1	BFAF	
c1nc(CCCCNC2CCCCC2)c[nH]1	13685844	MJTKHTWGWXGNME-UHFFFAOYSA-N	221.348	2.655	0	1	BFAF	
COC(=O)[C@@H]1CCC[C@@H]2CC(C(C)=O)=C[C@@]21C	14408041	QQRBZSIGFUEPRF-DYEKYZERSA-N	236.311	2.501	0	1	BFAF	biogenic
CCCCC(=O)N(CCC)c1nc(C)co1	39246363	DWEZJOMFVJBKEB-UHFFFAOYSA-N	224.304	2.916	0	1	BFAF	
c1cc(-c2ccc3c(c2)[C@H]2CNC[C@H]3C2)c[nH]1	101030482	AZTFASAELTYTNV-CHWSQXEVSA-N	224.307	2.856	0	1	BFAF	
Cc1ccc(-c2cc(=O)c3ccc(N)cc3o2)o1	103139020	WJCDCHKNBDPMGR-UHFFFAOYSA-N	241.246	2.944	0	1	BFAF	
Cc1ncc2c(n1)CC[C@@H](C(C)(C)C)C2	169318172	BFFNQVPISARKMZ-LLVKDONJSA-N	204.317	2.936	0	1	BFAF	
CO[C@H](C)c1ccc([C@]2(C)CCC(=O)O2)o1	238769032	SZAQCFVTESNVSH-PELKAZGASA-N	224.256	2.539	0	1	BFAF	
CCc1cc2c(c3c1C(=O)C(=O)N3)[C@H](C)C[C@H]2C	238787069	PBINGJFJSSJYJE-HTQZYQBOSA-N	243.306	2.995	0	1	BFAF	
CC[C@@H]1OCCC[C@H]1c1nc2cncc(C)c2[nH]1	586908714	CXJPUYAHXHUQRI-PWSUYJOCSA-N	245.326	2.939	0	1	BFAF	
Fc1cccc2nc(-c3cnc(Cl)nc3)[nH]c12	587085687	AZDQFUCCSROIJN-UHFFFAOYSA-N	248.648	2.812	0	1	BFAF	
Nc1nccc(-c2c[nH]c3c(Cl)cccc23)n1	1772577730	LWHKWBUGFPOHCM-UHFFFAOYSA-N	244.685	2.861	0	1	BFAF	
CC(C)=CCc1cc(C=CCO)ccc1O	2356508897	UJHVAGVJXNRBBS-UHFFFAOYSA-N	218.296	2.906	0	1	BFAF	
CCCSc1cc(C(N)=S)cc(Cl)n1	3851002	NIPDIBPFYFLDKX-UHFFFAOYSA-N	246.788	2.871	0	1	BFAF	biogenic
COc1c2occc2cc2c(C)cc(=O)oc12	6069637	GHHPLROQBQKAFI-UHFFFAOYSA-N	230.219	2.856	0	1	BFAF	
CCC(=O)[C@H](C)C[C@H](C)[C@H](CC)OC(C)=O	14448070	AUERNSKMEZMHFW-NRUUGDAUSA-N	228.332	2.970	0	1	BFAF	biogenic
COc1cc2c(c(C)c1OC)CCC(=O)[C@H]2C	27188449	SCKUTQFDZDSIJI-QMMMGPOBSA-N	234.295	2.631	0	1	BFAF	
Cc1cccc2c(=O)oc(C(C)(C)C)nc12	27526502	XEHXEVURYNOGQI-UHFFFAOYSA-N	217.268	2.794	0	1	BFAF	
CCCN1CCC=C2c3cccc(O)c3OC[C@@H]21	27851579	OFJPBUNBLOUSKK-ZDUSSCGKSA-N	245.322	2.652	0	1	BFAF	
CCOc1cccnc1Nc1cccc(OC)n1	28525713	GJTVCRARAGKWSI-UHFFFAOYSA-N	245.282	2.628	0	1	BFAF	
c1cncc(-c2nsc(-c3cccnc3)n2)c1	38998574	PJSNUISYDHNJTG-UHFFFAOYSA-N	240.291	2.662	0	1	BFAF	
CC[C@H](C)Nc1nc(N2CCC[C@@H]2C)ncc1C	82201632	HIEJAABYPYIMNJ-RYUDHWBXSA-N	248.374	2.984	0	1	BFAF	
CCCc1cc([C@H](O)C(F)(F)F)ccc1O	84687164	PYBQDIVTPCJVGE-JTQLQIEISA-N	234.217	2.940	0	1	BFAF	
Clc1ccc([C@H]2CC[C@H]3CC[C@H]2N3)cn1	100011120	OPJHXZMPMOOVSN-HBNTYKKESA-N	222.719	2.733	0	1	BFAF	
Cc1nsc(C2=CCCN(CC(C)C)C2)n1	103192436	QICAZKYHJURKPR-UHFFFAOYSA-N	237.372	2.592	0	1	BFAF	
CC[C@H](O)c1nc2cc(OC)c(Cl)cc2[nH]1	586900132	DNPUHKYVGMVGLO-VIFPVBQESA-N	240.690	2.668	0	1	BFAF	
COC(C)(OC)c1cc2c3c(cccc3n1)CC2	587211087	BVBXLEKMXLGWDY-UHFFFAOYSA-N	243.306	2.799	0	1	BFAF	
CCOCc1cc2c3c(cccc3n1)CC2	587214501	RLTDDNZULKNQQQ-UHFFFAOYSA-N	213.280	2.870	0	1	BFAF	
CCCc1cc2c(O)nc(O)nc2nc1C(C)C	587561914	WOBPQOFWIPJQIG-UHFFFAOYSA-N	247.298	2.512	0	1	BFAF	
Fc1ccc2c(-n3cncn3)c(C3CC3)[nH]c2c1	587636298	VEMDGKUUZFCSGX-UHFFFAOYSA-N	242.257	2.765	0	1	BFAF	
CC[C@@H](C)[C@@H](C)OCN1C=CN(C)C1=CN=O	1857539541	RYXHWAQIUHASNX-GHMZBOCLSA-N	239.319	2.679	0	1	BFAF	
Cc1cc(CC(=O)O)cc(OCC(C)C)c1	2005590	HMFYDQKPYBXSOE-UHFFFAOYSA-N	222.284	2.657	0	1	BFAF	
Oc1ccc2c(c1)[C@@H](c1ccccc1)CNCC2	12355932	SNXWZKKKYZCZRK-MRXNPFEDSA-N	239.318	2.670	0	1	BFAF	
C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C	14450304	AJFPOVBARCSOLH-DNVSUFBTSA-N	234.339	2.875	0	1	BFAF	biogenic
CC1=C[C@@H]2[C@@H]([C@@H](O)C1)[C@](C)(O)CC[C@@H]2C(C)C	14918443	NFSPTLKYFUJAOU-CAEXGNQWSA-N	238.371	2.747	0	1	BFAF	biogenic,in-vitro
CCCN1CC[C@@H]2c3c(O)cccc3CC[C@H]21	26004503	UVOXCNCVSFLEPX-QWHCGFSZSA-N	231.339	2.906	0	1	BFAF	
O=C(Cc1ccccc1)C[C@@H](O)c1ccccc1	40835204	MHWPULQIWQNQML-MRXNPFEDSA-N	240.302	2.922	0	1	BFAF	
C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cn1	43062333	BALUHDAPLHUOSN-JTQLQIEISA-N	229.279	2.839	0	1	BFAF	
Oc1ccc(OCCNc2ccccc2)cc1	96909374	VNJHQCFUXHHMOR-UHFFFAOYSA-N	229.279	2.883	0	1	BFAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccnc(O)c2[nH]1	586892682	VLVYHJLCVNGBAM-KRTXAFLBSA-N	217.272	2.567	0	1	BFAF	
Fc1ccc2nc(C3=COCC3)[nH]c2c1F	586913913	VFEQXVRNVWHCMO-UHFFFAOYSA-N	222.194	2.602	0	1	BFAF	
O=C(Cc1cc2c3c(cccc3n1)CC2)C(F)F	587210343	PJRQFTLNBNIKOY-UHFFFAOYSA-N	247.244	2.710	0	1	BFAF	
O=C1N[C@H](Nc2ccccc2)C[C@@H]2CCCC[C@H]12	618012070	VGMNCKGKWZCOTK-UBHSHLNASA-N	244.338	2.751	0	1	BFAF	
O=c1ccc2ccc(-c3ccccn3)cc2o1	1772593621	VMTJYSDSOGKAOR-UHFFFAOYSA-N	223.231	2.855	0	1	BFAF	
CCCCc1ccc(C2=NCCO2)cc1	1772633882	LSVJXMSAHGXFOC-UHFFFAOYSA-N	203.285	2.806	0	1	BFAF	
C[C@H]1[C@H](O)CCC(C)(C)[C@]12CC[C@@H](C)O2	2356384060	AENZJJQTCRHKBT-XZUYRWCXSA-N	212.333	2.741	0	1	BFAF	
O=c1nc2n(c3cccc(Cl)c13)CCCCC2	3198711	SPFSDHRJFXGBCM-UHFFFAOYSA-N	248.713	2.776	0	3	BFAF	
O=c1cc(O)sc(-c2ccc(Cl)cc2)n1	101820506	NJIUCUXWCRLDPC-UHFFFAOYSA-N	239.683	2.529	0	3	BFAF	
CCN[C@H]1CCCc2nc3ccccc3c(N)c21	11458	ASJZMSBXFBKBDW-LBPRGKRZSA-N	241.338	2.804	0	1	BFAF	
C[C@H]1CCC[C@H]2Cc3ccccc3[C@@]12N	27724566	SEIXOAIDAGGEFF-VHRBIJSZSA-N	201.313	2.833	0	1	BFAF	
COc1ccc(O)c(COc2ccccc2)c1	28012893	XQAYEDQPINZZQD-UHFFFAOYSA-N	230.263	2.980	0	1	BFAF	
O=P(O)(O)Cc1ccc(Cl)c(Cl)c1	66100992	QOTZMNSNGYSYQL-UHFFFAOYSA-N	241.010	2.671	0	1	BFAF	
C[C@H]1[C@@H](O)CCN[C@@H]1/C=C/C=C/c1ccccc1	85549554	BDDSGELKWZUGTC-UHNNFJLTSA-N	243.350	2.615	0	1	BFAF	
COc1cccc(C2=NO[C@H]3CCCC[C@@H]23)c1	95577380	UKFPJKMZLPFJMZ-OLZOCXBDSA-N	231.295	2.988	0	1	BFAF	
O=C1C[C@@H](c2ccccc2)N=C2CCCCN12	103280409	OMCXJVGJPRMKTQ-LBPRGKRZSA-N	228.295	2.542	0	1	BFAF	
C/C(C(N)=O)=C(/C)c1cccc(C(F)(F)F)c1	1853896	VTXRTWRNDAIGFQ-BQYQJAHWSA-N	243.228	2.984	0	1	BFAF	
O[C@H]1c2ccccc2OC[C@H]1Cc1ccccc1	3199002	PXYMHFRDMNPYMI-CZUORRHYSA-N	240.302	2.971	0	1	BFAF	
COc1cc2c(cc1[C@H](C)O)C=CC(C)(C)O2	6030302	ZMQPULSGBXIVGC-VIFPVBQESA-N	234.295	2.933	0	1	BFAF	biogenic,in-vitro
CC(C)CC(=O)[C@H](C)CCC(C)(C)O	14511622	YMTLJHRYMFKYSF-SNVBAGLBSA-N	200.322	2.789	0	1	BFAF	biogenic
C=C1C=CC[C@H](C)[C@]1(C)CCC1=C[C@@H](O)OC1=O	15273489	DNVMNEBSCNECGO-CORIIIEPSA-N	248.322	2.727	0	1	BFAF	biogenic
C[C@]12N[C@H](Cc3ccccc31)C1=CC=CC[C@H]12	26000955	USXOTRZXKQMLJY-OAGGEKHMSA-N	223.319	2.932	0	1	BFAF	
c1ccc(C2=NO[C@H]3CCCC[C@@H]23)cc1	95574313	RSAWVZJBIQEIGU-NEPJUHHUSA-N	201.269	2.980	0	1	BFAF	
Clc1ccc([C@@H]2CC[C@@H]3CC[C@@H]2N3)cn1	100011121	OPJHXZMPMOOVSN-VWYCJHECSA-N	222.719	2.733	0	1	BFAF	
CC[C@H](C)C1=C2C(=O)OC[C@@H]2[C@H](C)[C@@H](C)O1	2356322711	AAHWXJUQSQBIIS-SGIHWFKDSA-N	224.300	2.514	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](CO)[C@@H]2C[C@H]1O	2356323805	OAOAEDGPQMILBW-GZBLMMOJSA-N	238.371	2.604	0	1	BFAF	
CC[C@H](O)CCCCC=CC1=C(C)C(=O)OC1	2356465238	KUWMUXMJJXXEDL-ZDUSSCGKSA-N	238.327	2.747	0	1	BFAF	
CC(C)(C)N[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C	5963894	VBIQESJEDOKYKY-BIAAXOCRSA-N	225.376	2.560	0	1	BFAF	
c1cc(-c2ccc3c(c2)[C@H]2CNC[C@@H]3C2)c[nH]1	28527661	AZTFASAELTYTNV-QWHCGFSZSA-N	224.307	2.856	0	1	BFAF	
Cc1cn(Cc2coc(-c3ccco3)n2)c(C)n1	72184691	GTUSZMVBCIEXOA-UHFFFAOYSA-N	243.266	2.796	0	1	BFAF	
C[C@]12N[C@@H](Cc3ccc(N)cc31)c1ccccc12	100649264	JCVPNSINBFCUPK-JKSUJKDBSA-N	236.318	2.733	0	1	BFAF	
CC1(C)C[C@@]23C(=O)CC[C@H](O)[C@@]2(C)CC[C@@H]13	169294804	UHRWOVVMQAASAO-DUBDDPSESA-N	222.328	2.543	0	1	BFAF	
COc1cccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c12	586896204	KKPQNUVQIUCMBO-AOOOYVTPSA-N	246.310	2.590	0	1	BFAF	
COc1cccc2c1Cc1c(O)cccc1C2=O	13606502	ZLLAABQSJKWBDB-UHFFFAOYSA-N	240.258	2.536	0	1	BFAF	in-vivo
Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F	13776334	UCQCUJWREUJRPA-UHFFFAOYSA-N	242.250	2.578	0	1	BFAF	
CCN(C)C(=O)/C=C1\CCc2ccc(F)cc21	27330599	XITGCIREDYBKBF-DHZHZOJOSA-N	233.286	2.634	0	1	BFAF	
O=C(/C=C1\CCc2c1ccc(F)c2F)NC1CC1	27331564	DPCWSIOJVDVODE-BQYQJAHWSA-N	249.260	2.573	0	1	BFAF	
Clc1cccc(C2=C[C@H]3CC[C@H](C2)N3)n1	100009530	QUUUMSOCFRUASJ-NXEZZACHSA-N	220.703	2.643	0	1	BFAF	
CN1CCC[C@@H]2C[C@@H]1c1ccc(O)cc12	101159816	CZSRYFBAUSBQRZ-NOZJJQNGSA-N	203.285	2.646	0	1	BFAF	
O[C@@H]1CCC2=C(C1)C[C@H](CN1CCCCC1)C2	169328687	YRDSGPROQBZPFV-IUODEOHRSA-N	235.371	2.724	0	1	BFAF	
CC/C=C/C[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719245	HFBDIZKDKSFWDK-PHTUBKJSSA-N	212.314	2.580	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@@H](O)C[C@@]2(C)[C@H](O)[C@H]31	254003289	VWMGBHVRRNKOAE-LOVAHEPDSA-N	238.371	2.581	0	1	BFAF	
COc1ccc([C@@H](C)CCN(C)C)cc1	1772585822	ZFADUGUMNOQQHE-NSHDSACASA-N	207.317	2.750	0	1	BFAF	
CCOCC=Cc1ccc(OC)c(OC)c1	2356563001	MUDMWQINEVWPNY-UHFFFAOYSA-N	222.284	2.754	0	1	BFAF	
CC(=O)Cc1nsc(Nc2cccc(C)c2)n1	3631520	YLFVOBCWPLEZDX-UHFFFAOYSA-N	247.323	2.722	0	3	BFAF	
CCCCN1C(Nc2ccccc2)=NC[C@@H]1C	36386668	DSEDYBKXMPCSJB-LBPRGKRZSA-N	231.343	2.959	0	3	BFAF	
C1=C2C3=[N+](CCCC3)C[C@@H]2Cc2sccc21	1656754	NJMINJSYHAVGDC-NSHDSACASA-N	230.356	2.955	0	1	BFAF	
CC1=CC[C@@]2(O)[C@H]1C(=O)[C@H](C(C)C)CC[C@H]2C	14454446	AOLHQRLQINUETQ-COMQUAJESA-N	236.355	2.955	0	1	BFAF	biogenic
C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c21	29124741	XVUVWFVTTXRRCJ-LURJTMIESA-N	244.125	2.690	0	1	BFAF	
COc1ccc(Nc2nc(C)cs2)nc1	621429337	IURLOZGYJBJGJL-UHFFFAOYSA-N	221.285	2.599	0	1	BFAF	
CSC(C)=CCCc1cccc(=O)o1	2356424331	NXBRVEYWEMMPFQ-UHFFFAOYSA-N	210.298	2.839	0	1	BFAF	
O=C1c2ccccc2-c2cc3c(cc21)OCO3	13604098	DHARSBAXFUGPFO-UHFFFAOYSA-N	224.215	2.627	0	1	BFAF	
NC1=C2CCCCC2=N[C@@H]2CCCC[C@@H]12	28348538	TUHKKEQPFQTBQG-MWLCHTKSSA-N	204.317	2.787	0	1	BFAF	
COc1ccc2c(c1)[C@@H]1[C@H](CCCN1C)C2	299831760	REOUOAFXFYANBT-RISCZKNCSA-N	217.312	2.634	0	1	BFAF	
O=C(c1cccnc1)C(Cl)(Cl)Cl	1857650007	IUBHVCDSNHTZNP-UHFFFAOYSA-N	224.474	2.635	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(C[C@@H]1O)C[C@@H]1C[C@]12C	2356582633	QRDWGAFJTAQHKE-XFWGRBSCSA-N	238.371	2.581	0	1	BFAF	
CCOc1ccc(-c2ccc(OCC)nc2)cn1	343604	ZURXSWVESAVAIC-UHFFFAOYSA-N	244.294	2.941	0	1	BFAF	
CSc1ncc(Nc2nc(C)cs2)cn1	6810048	APNCLAQJKYOPSW-UHFFFAOYSA-N	238.341	2.707	0	1	BFAF	
COc1cnc(-c2ccccc2)nc1NC(C)C	116193716	WRDVIGYXWSKIDE-UHFFFAOYSA-N	243.310	2.973	0	1	BFAF	
C[C@H]1C(=O)CC[C@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]1O	169312831	WIKOGZYEVQUKEV-JVHLPBCQSA-N	236.355	2.789	0	1	BFAF	
Cc1ccnc2c1CCN[C@]21CCC[C@@H]2C[C@@H]21	963064668	BVCMVAFFEKCKLU-ZLDLUXBVSA-N	228.339	2.551	0	1	BFAF	
Cc1ccnc2c1CCN[C@]21CCC(F)(F)C1	963073647	XFWWBKURNHCGPM-LBPRGKRZSA-N	238.281	2.550	0	1	BFAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@H](O)[C@H]2C1	5812705	PYDYAPFBFDTVMM-NRWUCQMLSA-N	226.360	2.725	0	1	BFAF	
C[C@@H]1CC[C@H](c2ccoc2)N2C[C@](C)(O)CC[C@H]12	13436106	DZKOJPWTBVWCGX-NMFUWQPSSA-N	249.354	2.966	0	1	BFAF	biogenic
CSc1nnc(-c2ccccc2)c2cncn12	29463272	WDRLYNVZJPLYMO-UHFFFAOYSA-N	242.307	2.513	0	1	BFAF	
O=C1C[C@H]2c3ccc4ccccc4c3O[C@H]2O1	98085247	CQZXWMWTIYBXIL-SMDDNHRTSA-N	226.231	2.589	0	1	BFAF	
CC(=O)OC[C@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1	100050365	TXFBASMXWNIAGS-RXGFPQBGSA-N	208.301	2.622	0	1	BFAF	
O=C(N/C=C/c1ccc(O)cc1)c1ccccc1	101637346	XIFPGWOLWYGQOR-ZHACJKMWSA-N	239.274	2.793	0	1	BFAF	
CC[C@@]1(C)C[C@H]1c1nc2cncc(OC)c2[nH]1	586887723	HMXADUSVOGETBW-SDBXPKJASA-N	231.299	2.870	0	1	BFAF	
N[C@H](CCSc1ccc(Cl)cc1)N=O	957861905	MGMDITPXOHTXDI-VIFPVBQESA-N	230.720	2.873	0	1	BFAF	
CCCC[C@H]1[C@@H]2NC(=N)NC3=C2[C@H](CC3)C[C@H]1C	2356415167	BOOHKNSPXWBALG-BIAAXOCRSA-N	247.386	2.993	0	1	BFAF	
CC(CO)=C1CC(C)(C)C[C@H]2[C@@H]1CC[C@H]2CO	2356720311	WPLVJXWIOYJHTM-OUCADQQQSA-N	238.371	2.750	0	1	BFAF	
O=c1ccc2c(-c3ccccc3)nccc2[nH]1	13731311	APKKZTGSYROVPP-UHFFFAOYSA-N	222.247	2.590	0	1	BFAF	
CC(=O)N/C=C/c1ccc(Br)cc1	28705380	QQQDZXYOQUTZMY-VOTSOKGWSA-N	240.100	2.556	0	1	BFAF	
CCN[C@@H]1CCc2c(OC)ccc(Cl)c2C1	29213625	WAPNCIRBPQRYGU-SECBINFHSA-N	239.746	2.815	0	1	BFAF	
CC(C)=CCOc1ccc(CCCO)cc1	33495745	JYSMWPSRMOZRPR-UHFFFAOYSA-N	220.312	2.957	0	1	BFAF	biogenic,in-vitro
C[C@H]1C[C@@]2(C)C[C@H](Cc3ccccc32)N1C	40373593	UUIHLUKORNVGJW-WHOFXGATSA-N	215.340	2.983	0	1	BFAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)[C@H](O)C3	59172728	FIVPPSZIBGBQNB-WKKWAXIPSA-N	238.371	2.581	0	1	BFAF	
CCC(=O)O[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21	100051215	ZPFJBPIFMMENKC-PREPNJAASA-N	206.285	2.540	0	1	BFAF	
COc1cc2c(cc1OC)[C@@H]1[C@H](CCCN1C)C2	299830088	MJOABFWEIOVMIY-BMIGLBTASA-N	247.338	2.643	0	1	BFAF	
CC1=CCC[C@](C)(O)[C@@H]2C[C@H]2C(C)(C)C[C@H]1O	2356511450	BOAGSZAUIQYYAY-BHPKHCPMSA-N	238.371	2.891	0	1	BFAF	
CC(C)n1cnc2c(oc3ccccc32)c1=O	3007434	TWXRENQYDRTNFA-UHFFFAOYSA-N	228.251	2.724	0	3	BFAF	
C[C@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2[C@@H]1O	205748319	PLDRVGAFDSCTJO-LWNUBTIRSA-N	236.355	2.645	0	1	BFAF	
COc1cccc2nc([C@@H](O)CC(C)C)[nH]c12	586900677	IYQXYZFUPSGPKW-JTQLQIEISA-N	234.299	2.651	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2cccnc2[nH]1	586914094	UJLXBTTWGIZZOC-GXSJLCMTSA-N	231.299	2.631	0	1	BFAF	
CO[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4	587215054	ZSIAWEHJNWABPX-LLVKDONJSA-N	239.318	2.837	0	1	BFAF	
OCc1ccc2nc(C=C3CCC3)[nH]c2c1	587964525	BCOVHHPYNPMVKY-UHFFFAOYSA-N	214.268	2.623	0	1	BFAF	
N[C@@H](N=O)c1ccc(F)cc1C(F)(F)F	957621026	WAXKMHTVCONSGK-ZETCQYMHSA-N	222.141	2.568	0	1	BFAF	
O=C(C1CCCCC1)N1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	1857634989	DXMJULIKMLDOFU-BYNSBNAKSA-N	245.366	2.847	0	1	BFAF	
CCCN1CCC[C@@H]2c3c(O)cccc3OC[C@H]21	27847602	UKQPRJSOSVDGII-NWDGAFQWSA-N	247.338	2.743	0	1	BFAF	
C[C@@H]1C[C@@H]1COc1cccc2ccc(N)nc12	28392255	HIZPONGXBADBFM-MWLCHTKSSA-N	228.295	2.852	0	1	BFAF	
CC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1	35090552	IYNBYQDXVFMDGE-UONOGXRCSA-N	217.312	2.501	0	1	BFAF	in-vivo
Cc1cc2nn(-c3ccccc3)c(C)c2c(=O)o1	73402690	NWAMTIIDHNPAPJ-UHFFFAOYSA-N	240.262	2.596	0	1	BFAF	
O=C(O)c1ccc(-c2ccc3[nH]ccc3c2)nc1	1772601011	AZIUYDPRMUNODR-UHFFFAOYSA-N	238.246	2.928	0	1	BFAF	
CCC=CC[C@H]1C(=O)CC[C@H]1CC(=O)OCC	2356522226	ZQIQZTGSDJKNLB-NWDGAFQWSA-N	238.327	2.891	0	1	BFAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC(=O)[C@@H](CO)[C@H]2[C@@H]13	2356795502	MCTUYJGRYPUICC-YFFWSHNFSA-N	236.355	2.502	0	1	BFAF	
Cc1cc2c(CO)coc2c2c1CC[C@H](O)[C@H]2C	13397786	KFNIOOQVUNXCSG-RNCFNFMXSA-N	246.306	2.644	0	1	BFAF	biogenic
Nc1nccc2ccc(-c3ccncc3)cc12	45187918	FVXXEOQAWLACLR-UHFFFAOYSA-N	221.263	2.879	0	1	BFAF	
Cc1ccc2cc3c(cc2n1)[C@H]1CNC[C@H]3C1	101031442	ZESXLBONCPGUND-VXGBXAGGSA-N	224.307	2.717	0	1	BFAF	
Cc1ccc(C)c2[nH]c(/C=C/C=C\C(=O)O)nc12	587967306	GUTZFHWFERMNRW-UZNMPDEFSA-N	242.278	2.834	0	1	BFAF	
C[C@]1(c2ccccc2)CCN(C2CC2)CO1	3592677	VTCYIQPQDCGMPF-CQSZACIVSA-N	217.312	2.744	0	1	BFAF	
CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12	13673563	QZFLFWOTDWFGFO-GXSJLCMTSA-N	232.302	2.972	0	1	BFAF	
CC[C@H](C)C(=O)[C@H](O)Cc1c[nH]c2ccccc12	14455620	GRVFODKSPHRUNC-IINYFYTJSA-N	245.322	2.687	0	1	BFAF	biogenic
CC(=O)CCC1=C(C)C[C@@H](O)CC1(C)C	14587818	KFZDTDKRRFEMEK-LLVKDONJSA-N	210.317	2.853	0	1	BFAF	biogenic
Cc1ccc([C@@H](O)[C@@H]2CC3CCN2CC3)cc1	29485987	NNZNRCHTIVGVFE-LSDHHAIUSA-N	231.339	2.513	0	1	BFAF	
COCc1ccccc1[C@H]1CCc2nc[nH]c2C1	40394441	PAMROTRMNXQKOE-NSHDSACASA-N	242.322	2.829	0	1	BFAF	
C#CCN(CCC)[C@H]1CCc2cccc(O)c2C1	141774935	SSPSAQSJBSXUBI-AWEZNQCLSA-N	243.350	2.595	0	1	BFAF	
CC1(C)Cn2c3c(c4ccc(O)cc42)CCN=C31	238770314	FVORLKJGVHBLNA-UHFFFAOYSA-N	240.306	2.732	0	1	BFAF	
Cc1ccnc2[nH]c([C@H]3CCCC(=O)CC3)nc12	586887424	UERXRAXTXAUTLZ-JTQLQIEISA-N	243.310	2.883	0	1	BFAF	
CCCCC[C@]1(c2ccccc2)OC(=O)NC1=O	5821064	SVRUAQSFFVAKQJ-CQSZACIVSA-N	247.294	2.729	0	1	BFAF	
CCC[C@@H]1NCCc2c1[nH]c1ccc(O)cc21	14724471	JNGJWVGYTMTZMD-ZDUSSCGKSA-N	230.311	2.860	0	1	BFAF	biogenic
FC(F)(F)[C@H]1C=CC=C([C@H]2CCNC2)C1	26499427	GTXIQJYCGBFZND-UWVGGRQHSA-N	217.234	2.661	0	1	BFAF	
Cc1ccc2c(=O)oc(NC(C)C)nc2c1C	27525723	INWCZSYBMCFSSY-UHFFFAOYSA-N	232.283	2.625	0	1	BFAF	
C[C@@]12N[C@@H](Cc3ccc(N)cc31)c1ccccc12	27892541	JCVPNSINBFCUPK-HOTGVXAUSA-N	236.318	2.733	0	1	BFAF	
Cn1c[n+](Cc2ccccc2)c2ccccc21	28816833	SMDFAZLSWBBLFZ-UHFFFAOYSA-N	223.299	2.514	0	1	BFAF	
Fc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3	34217794	OATRVESVKDIUOS-UHFFFAOYSA-N	227.242	2.796	0	1	BFAF	
CC1=C2[C@@H]3CC(C)(C)C[C@@H]3C(=O)[C@@]2(C)C[C@H]1O	34432729	DMCWLSNRDNSZJO-RSQPEXBXSA-N	234.339	2.709	0	1	BFAF	
Cc1cccc2c1/C(=C/c1ccc[nH]1)C(=O)N2	100393644	IUMPCHAHZBLTKY-FLIBITNWSA-N	224.263	2.816	0	1	BFAF	
FC(F)(F)c1ncc2nc(C3CCC3)nc-2[nH]1	586884514	OKQWFMJACKBGKG-UHFFFAOYSA-N	242.204	2.591	0	1	BFAF	
CC1=C[C@@H]2[C@H](C(C)C)[C@H](O)C[C@@H](C)[C@]2(O)CC1	2356326150	URSADROJPOUESD-ARILJUKYSA-N	238.371	2.747	0	1	BFAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@@]3(CO)CC[C@@]12C[C@H]3O	2356615540	GDNYODZUJONCKY-BUONHZGMSA-N	238.371	2.582	0	1	BFAF	
C[C@@H]1CCCC2=C[C@H](O)[C@@H](C(C)(C)O)C[C@]21C	2356691042	VYLHYKHUCVHIKW-HTUGSXCWSA-N	238.371	2.891	0	1	BFAF	
COc1cc(O)cc2cc(C)c(C(C)=O)c(O)c12	13307208	XHEPMMCLXBHCRW-UHFFFAOYSA-N	246.262	2.771	0	1	BFAF	biogenic
CCCCC[C@@H]1CCC[C@H]2CC(=O)OCCN21	13382750	RUEUOZBKUCFMFL-OLZOCXBDSA-N	239.359	2.737	0	1	BFAF	biogenic
CC1(C)CCC[C@]1(C)[C@H]1C=C[C@](C)(O)[C@@H](O)C1	13412343	ARHSYZHJIIRPIL-VIRABCJISA-N	238.371	2.891	0	1	BFAF	biogenic
CN1CCC(C[C@H]2Cc3ccccc3C2=O)CC1	13449563	BPVUQMXHSAOCEZ-AWEZNQCLSA-N	243.350	2.774	0	1	BFAF	
O=C(Cc1ccncc1)OC1CCCCC1	26823945	NSUUATIRTFQGHC-UHFFFAOYSA-N	219.284	2.500	0	1	BFAF	
Cc1nc(N)nc(/C=C/c2ccccc2)c1C	58581506	GICKMIZEEHGZRO-CMDGGOBGSA-N	225.295	2.846	0	1	BFAF	
CCN1CCC[C@@H]2c3cccc(O)c3CC[C@H]21	58643375	GVOROUDOZOBZIC-TZMCWYRMSA-N	231.339	2.906	0	1	BFAF	
CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1CO	85661932	SYSFCGLKPBVTDQ-UKTARXLSSA-N	238.371	2.748	0	1	BFAF	in-man
CC(C)[C@H]1CCC(CO)=C2CC[C@](C)(O)C[C@@H]21	96085411	AEIGTUFAPRNEKB-YUELXQCFSA-N	238.371	2.892	0	1	BFAF	in-vitro
Cc1coc2c1[C@@H](O)[C@@]1(C)C(=CC[C@@H](O)[C@@H]1C)C2	238738180	OOHLUNHKHSLPNR-FOOGCRFISA-N	248.322	2.511	0	1	BFAF	
CC1=CCC(C)(C)[C@@H](O)[C@H]2C[C@@]2(C)[C@@H](O)CC1	253669555	RKDPETZBSSPSSM-UKTARXLSSA-N	238.371	2.891	0	1	BFAF	
N[C@H](N=O)c1ccc(Cl)cc1Cl	957589314	ANBXXDRGJZBEKL-SSDOTTSWSA-N	205.044	2.717	0	1	BFAF	
Oc1ccccc1CCNCc1cccc(F)c1	1655479950	YISQJJZDVDYAHL-UHFFFAOYSA-N	245.297	2.864	0	1	BFAF	
Cc1ccc2c(n1)Nc1ccccc1C(=O)N2	5931173	DBDHTERUDQUZDQ-UHFFFAOYSA-N	225.251	2.699	0	1	BFAF	
Cc1ccc([C@@](C)(O)C/C=C/C(C)(C)O)cc1	13377443	SPZUMECVMNZCHK-RNOHYWCBSA-N	234.339	2.920	0	1	BFAF	
CC(C)[C@@H]1CCC(CO)=C2CCC(CO)=C[C@@H]21	13381050	CZLSMUFSIVAINC-DZGCQCFKSA-N	236.355	2.670	0	1	BFAF	biogenic
CN1CCCC[C@@H]1CC(=O)c1cccs1	13554216	KNONMNIXSVWCFB-SNVBAGLBSA-N	223.341	2.805	0	1	BFAF	
COc1cccc2c1CC[C@@H]1[C@H](c3cnc[nH]3)[C@H]21	13554826	ZJLGJEJGRRINJB-NILFDRSVSA-N	240.306	2.862	0	1	BFAF	
CC(/C=C/C(=O)O)=C\C=C\C=C(C)\C=C\C(=O)O	15119748	UXBCAWHJMZPSBQ-HBPHNZTASA-N	248.278	2.717	0	1	BFAF	in-vitro
CSc1ncnc2cc(-c3ccccc3)nn12	26502242	QSFFJMOYAGPLJM-UHFFFAOYSA-N	242.307	2.513	0	1	BFAF	
CC1=NN(C(=O)Oc2ccccc2)[C@@H](C)N=N1	40632066	CNHSKDKKMNCXSZ-VIFPVBQESA-N	232.243	2.633	0	1	BFAF	
COc1cccc(C2=NO[C@@H]3CCCC[C@H]23)c1	95577379	UKFPJKMZLPFJMZ-QWHCGFSZSA-N	231.295	2.988	0	1	BFAF	
C[C@]12N[C@@H](Cc3ccccc31)c1cc(O)ccc12	100649139	ZDZGEYKVIKYFLF-HOTGVXAUSA-N	237.302	2.856	0	1	BFAF	
OCCc1ccc2nc(C3=CCCC3)[nH]c2c1	586884026	NKVAJGWZHBJHDJ-UHFFFAOYSA-N	228.295	2.665	0	1	BFAF	
Cc1ccnc2c1CCN[C@@H]2[C@@H]1CCC(C)(C)O1	963072878	OVFQPASDTSJSFZ-GXTWGEPZSA-N	246.354	2.534	0	1	BFAF	
Cc1cc(O)c(CC2CCCCC2)c(=O)o1	1857630540	ZMTDEFXBFFWKNR-UHFFFAOYSA-N	222.284	2.777	0	1	BFAF	
CCO[C@H]1CCCN(Cc2ccccc2)CO1	2356283896	GFCYDNAFMHZTGV-CQSZACIVSA-N	235.327	2.619	0	1	BFAF	
C[C@]12CCC(=O)N[C@@H]1CCc1cc(Cl)ccc12	13861372	WSUXPPZGHUBBER-TZMCWYRMSA-N	249.741	2.823	0	1	BFAF	
CCSc1nc2c(C)cccc2c(=O)o1	27527102	STKILMNMCPYBKK-UHFFFAOYSA-N	221.281	2.608	0	1	BFAF	
c1ccc(CN2CCN(c3ccccc3)C2)cc1	29132003	WFFRSTCYUPOFJZ-UHFFFAOYSA-N	238.334	2.966	0	1	BFAF	
COCCNc1ccnc2[nH]c3ccccc3c12	40952514	XASQUIVBTHALBV-UHFFFAOYSA-N	241.294	2.774	0	1	BFAF	
Cc1cc(Cl)ncc1[C@H]1C[C@@H]2CC[C@@H]1N2	100071892	OGHPAVPNKPGGDV-NGZCFLSTSA-N	222.719	2.651	0	1	BFAF	
CC1(C)CCN2C(=O)[C@@]34CCC[C@H]3C[C@@]21S4	102915178	YNWINBYEJRPYBT-BIMULSAOSA-N	237.368	2.631	0	1	BFAF	
COc1cccc([C@@]23CC[C@@H](C2)N(C)CC3)c1	169314262	AUMHLYHVBLXFAN-DZGCQCFKSA-N	231.339	2.821	0	1	BFAF	
COc1ccc2c(c1)[C@H]1CCCN(C)[C@H]2C1	169326632	INLXGNMYXKPYGX-HZMBPMFUSA-N	217.312	2.949	0	1	BFAF	
C=Cc1ccc(-c2nc3ncc[nH]c-3n2)cc1	586882245	XLIOUZDEUCSXOV-UHFFFAOYSA-N	222.251	2.615	0	1	BFAF	
Cc1c(F)cc(-c2nc3ncc[nH]c-3n2)cc1F	587132356	CGIBYOOWZZUNTP-UHFFFAOYSA-N	246.220	2.558	0	1	BFAF	
Cc1ccc2[nH]c(C)c([C@H](N)N=O)c2c1	957950244	OTNNZBWVSTWMCW-LLVKDONJSA-N	203.245	2.508	0	1	BFAF	
COc1ccc([C@@H](C)CCN2CCOCC2)cc1	1772583679	CMWCFGCLJMVJAF-ZDUSSCGKSA-N	249.354	2.521	0	1	BFAF	
CC(=CCC[C@]1(C)[C@@H]2CC[C@H](CO)C[C@H]21)CO	2356696239	PLPBWYNMFNFHJA-GBJTYRQASA-N	238.371	2.750	0	1	BFAF	
CO[C@H](C)c1ccc([C@@]2(C)CCC(=O)O2)o1	2356727770	SZAQCFVTESNVSH-PRHODGIISA-N	224.256	2.539	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H]3COC(=O)[C@@]32C)C1	14615899	ZSRQNNNSHRCNQE-SKENRDBWSA-N	220.312	2.788	0	1	BFAF	biogenic
O=C1C=CC[C@@H]([C@H]2C[C@@H]2c2ccccc2)O1	214291238	ROWVDUYSPYFOQF-AGIUHOORSA-N	214.264	2.662	0	1	BFAF	
N[C@@H](Cc1ccc(Cl)cc1Cl)N=O	957589317	DRFAEZKSXOJUGT-MRVPVSSYSA-N	219.071	2.587	0	1	BFAF	
N[C@H]1C[C@@]1(F)c1cccc(C(F)(F)F)c1	1772637290	LJPHMJHDOGFZMY-DTWKUNHWSA-N	219.181	2.601	0	1	BFAF	
CC1=C2c3cc(C)ccc3[C@@H](C)C[C@]2(O)OC1=O	14445094	PLJGICLYVCMFRO-VFZGTOFNSA-N	244.290	2.521	0	1	BFAF	biogenic
C[C@@]12CO[C@@H]3c4cocc4C[C@](C)(O)[C@@H](C1)[C@H]3C2	238746544	DWFADEFKWQSANI-BFYSQQLMSA-N	248.322	2.691	0	1	BFAF	
Clc1cccc2nc(C3=COCC3)[nH]c12	586913024	KDQHWVHFUWHRQK-UHFFFAOYSA-N	220.659	2.978	0	1	BFAF	
Cc1ccc(C(F)(F)F)c2ccc[n+](C)c12	1772607280	NGMVTVKZJJLBEN-UHFFFAOYSA-N	226.221	2.992	0	1	BFAF	
CC(=O)N1C=C(c2cc3ncccc3[nH]2)CCC1	1857566988	RCQDVSTWVOUAIJ-UHFFFAOYSA-N	241.294	2.546	0	1	BFAF	
CN(C)CCCNCC(F)=C1CCCCC1	13611605	ODUVHWMBAUZLII-UHFFFAOYSA-N	228.355	2.715	0	1	BFAF	
c1ccc(-c2cnc3ncccc3n2)cc1	13756099	ALPQJMZVEPEYFC-UHFFFAOYSA-N	207.236	2.692	0	1	BFAF	
Nc1ncc(-c2ccncc2)c(-c2ccccc2)n1	138496627	KIVNGPGQJSPRQE-UHFFFAOYSA-N	248.289	2.788	0	1	BFAF	
CC1(C)C[C@H]2[C@@H]1CC[C@]1(C)CC(=O)C[C@@]2(O)C1	140329737	HFLRBLFXCNURJT-DDHJSBNISA-N	236.355	2.933	0	1	BFAF	
CN(Cc1ccccc1)C[C@H]1[C@@H](O)[C@@H]2CC[C@@H]1C2	169340349	PHMYEAYOKNYDGR-FPCVCCKLSA-N	245.366	2.525	0	1	BFAF	
CCCCCCc1ccc2c(O)nc(O)nc2n1	587561726	VNHZNTBOZUXFIM-UHFFFAOYSA-N	247.298	2.559	0	1	BFAF	
CC(=O)N(C(C)=O)c1c(C)[nH]c2cc(F)ccc12	587634842	FZOKBLVWJAEHAQ-UHFFFAOYSA-N	248.257	2.515	0	1	BFAF	
CO[C@H](C)[C@H]1c2c(F)cccc2C[C@@H]2CCCN21	963111039	QXHFOMHCZGYRRJ-GMXABZIVSA-N	249.329	2.922	0	1	BFAF	
CCCn1cc(C[C@@H](C)N)c2cc(OC)ccc21	26674144	DAGLCFOMYRIMJJ-LLVKDONJSA-N	246.354	2.950	0	1	BFAF	
COc1ccc([C@H]2[C@H]3CC[C@@H](C3)[C@H]2CN)cc1	253684196	KMHOEPPHTBTLAR-VIRABCJISA-N	231.339	2.784	0	1	BFAF	
CC[C@H](O)c1nc2cc(Cl)nc(Cl)c2[nH]1	586900198	FUSOOGWQZPOYRE-YFKPBYRVSA-N	246.097	2.708	0	1	BFAF	
C[C@H]1c2c(nc3cccc4c3c2CC4)CC[C@H]1O	587215981	QILSMPWDYFOOBW-YMTOWFKASA-N	239.318	2.744	0	1	BFAF	
O=C(O)CCSC(=O)Nc1cccc(F)c1	1620315	XWQMOFPAJHEDKR-UHFFFAOYSA-N	243.259	2.566	0	1	BFAF	
CC(C)c1cccc(OC(=O)N(C)C)c1	2038224	RDKXIDLUGBHOCT-UHFFFAOYSA-N	207.273	2.870	0	1	BFAF	
CCCN(CCC)[C@H]1COc2cccc(O)c2C1	5833031	QPVJRLOTNHJYTL-GFCCVEGCSA-N	249.354	2.818	0	1	BFAF	
COc1cccc2oc(SC)cc(=O)c12	13813936	SUSDQKPIOONRQY-UHFFFAOYSA-N	222.265	2.524	0	1	BFAF	
COc1ccc2[nH]c(CCN3CCCC3)cc2c1	29130657	UXDACHZONACAIV-UHFFFAOYSA-N	244.338	2.815	0	1	BFAF	in-vivo
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)C[C@@]2(O)CCC1=O	103131995	IENXBWLABXSOLK-JLUCKKNBSA-N	236.355	2.933	0	1	BFAF	
CC(C)N(CCOc1cccnc1)C(C)C	103293387	NPHMOOZIRDEOJB-UHFFFAOYSA-N	222.332	2.579	0	1	BFAF	
CC(C)(C)c1cnc(-c2ccccc2)nn1	169318585	RTKMDDNTGHWJHD-UHFFFAOYSA-N	213.284	2.836	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1	586916795	DMRCZRSNUQLKKT-BBIVZNJYSA-N	244.081	2.725	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc[nH]1)O2	587397568	XIQLLONGQRUFIC-CYBMUJFWSA-N	242.278	2.612	0	1	BFAF	
COC(=O)c1cnc2[nH]c3ccccc3c2c1	653710320	VJAUIOGKHDAWEP-UHFFFAOYSA-N	226.235	2.503	0	1	BFAF	
CC1=CC[C@H](O)[C@]2(C)Cc3occ(C)c3C(=O)[C@@H]12	2356495217	JYWURVVLRXXLFU-LNSITVRQSA-N	246.306	2.660	0	1	BFAF	
C[C@H]1CC[C@@H](C)C(=O)C=C2[C@@H]1CC[C@@]2(C)O	14493208	RUGUESBOXSHDTF-ICUOPCATSA-N	222.328	2.709	0	1	BFAF	biogenic
COc1ccc([C@H]2NN=C3CCCC[C@H]32)cc1	43123087	MWWRTYAHWODDMB-TZMCWYRMSA-N	230.311	2.886	0	1	BFAF	
CNc1ccc(-c2nc3ccc(O)cc3o2)cn1	43178661	MUNSCAJTQCLVNR-UHFFFAOYSA-N	241.250	2.637	0	1	BFAF	
CC(C)(O)C[C@H]1c2ccccc2-c2cncn21	205794773	JNNMYZDYWKIDMJ-LBPRGKRZSA-N	228.295	2.614	0	1	BFAF	
COc1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1	587198556	KCHPBGQZEMIRJS-ZDUSSCGKSA-N	247.342	2.830	0	1	BFAF	
CC(C)C1=CC[C@H](CO)C12CCC(=O)CC2	653810079	URMSBZNVIMPRGF-LLVKDONJSA-N	222.328	2.711	0	1	BFAF	
O=C1OCC(c2ccc(Cl)cc2)=C1Cl	6535472	LBEBHZUNZRODQF-UHFFFAOYSA-N	229.062	2.847	0	1	BFAF	
CC(C)CC(=O)c1cc([C@H](C)O)ccc1O	13306668	AWFXQEZPCZDBIE-VIFPVBQESA-N	222.284	2.674	0	1	BFAF	biogenic
CC(C)=CCOc1ccc2ccc(=O)oc2c1O	13481605	JQZMXFOESQGCRI-UHFFFAOYSA-N	246.262	2.844	0	1	BFAF	biogenic
CCc1nn(C[C@H](C)N)c2c1ccc1occc12	29124689	YUUIXXWVRJNQQP-VIFPVBQESA-N	243.310	2.692	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@@H]1CC[C@@H](O)C[C@@H]21	40441905	ZXASUIFTYKJPOW-GZBFAFLISA-N	246.374	2.575	0	1	BFAF	
CCN(CC)C(=O)c1ccc(O)c(C(C)C)c1	64491762	WKFPSUSQLAHQDS-UHFFFAOYSA-N	235.327	2.998	0	1	BFAF	
CCCOC(=O)NCSc1ccccc1	103286372	IGFXCJKGIYIWMU-UHFFFAOYSA-N	225.313	2.872	0	1	BFAF	
CC1(C)CCC[C@H]2C3=C(C=C[C@@H]21)C(=O)OC3	238769786	VCUNJMCXPFUODI-CABZTGNLSA-N	218.296	2.852	0	1	BFAF	
Cc1nc(NC(=O)CC(C)C)c(C)c(C)c1O	299839706	SOFZAHSTVCWREC-UHFFFAOYSA-N	236.315	2.697	0	1	BFAF	
Cc1ccc(C)c([C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)c1	546942	SPCLRIAZWZKWNU-OFQRWUPVSA-N	247.382	2.851	0	1	BFAF	
c1ccc(-c2ccc(C3=NCCN3)s2)cc1	35033792	AYKJLPMXYQEQNK-UHFFFAOYSA-N	228.320	2.765	0	1	BFAF	
COc1cccc(C(=O)[C@@H](C)NC(C)(C)C)c1	45385790	DGQVZUDAKWRJPY-SNVBAGLBSA-N	235.327	2.655	0	1	BFAF	
Cc1ncsc1[C@H](CO)c1ccc(F)cc1	95555474	DVENUQUGFVEEMH-LLVKDONJSA-N	237.299	2.715	0	1	BFAF	
C[C@]1(/C=C/c2ccccc2)C=CC(=O)O1	96921223	QESCCKFXSFDWHF-XOVSCCBYSA-N	200.237	2.572	0	1	BFAF	
C[C@H]1CCCC[C@@H]1n1cnc2ccc(O)nc21	118263817	MEHLUSUYFBXKDG-ONGXEEELSA-N	231.299	2.888	0	1	BFAF	
CCN1CCC[C@H]2c3cc(O)ccc3CC[C@H]21	253707078	SVIIYVRLTJRIIR-DZGCQCFKSA-N	231.339	2.906	0	1	BFAF	
CC[C@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1	587955989	NAWRAXGESSBCNG-LURJTMIESA-N	230.271	2.658	0	1	BFAF	
N[C@H](N=O)c1ccccc1OCc1ccccc1	957756833	STRDOPBCCDBYLZ-CQSZACIVSA-N	242.278	2.989	0	1	BFAF	
NO[C@H](c1ccccc1)c1ccccc1F	1857547774	HBFIMALXBCDBDE-CYBMUJFWSA-N	217.243	2.805	0	1	BFAF	
COc1cccc2cc(C=O)cc(OC)c12	13335461	VLGCMCVHZCXWKA-UHFFFAOYSA-N	216.236	2.670	0	1	BFAF	biogenic
CN(C)c1ccc2sc3ccc[n+](C)c3c2c1	28642445	JRTFLVVRPKSJDH-UHFFFAOYSA-N	243.355	2.945	0	1	BFAF	
COC(=O)c1cc(Cl)nc(-c2ccccn2)c1	35653956	SEJJHWYTXOCECG-UHFFFAOYSA-N	248.669	2.584	0	1	BFAF	
COc1ccc(CCc2ccc(O)cc2)cc1O	205626142	GUNRICIIRFLJKK-UHFFFAOYSA-N	244.290	2.892	0	1	BFAF	
CC(C)C[C@H](O)c1nc2cc(Cl)ncc2[nH]1	586901500	QWEHRKQRKINOGO-VIFPVBQESA-N	239.706	2.691	0	1	BFAF	
C(=C/c1cnc2cccnn12)\c1ccccc1	653670290	RHDHEBSBRWGCBC-CMDGGOBGSA-N	221.263	2.900	0	1	BFAF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](C)O)N1	962945735	GLVFLNJWOCNVPP-RBZYPMLTSA-N	244.338	2.514	0	1	BFAF	
COc1ccc([C@H](C)CCN(C)C)cc1	1772585821	ZFADUGUMNOQQHE-LLVKDONJSA-N	207.317	2.750	0	1	BFAF	
COC(=O)C=CSC(=S)[C@H]1CCCC1=N	1857741985	WMJRFIIGUVFVCH-ZETCQYMHSA-N	243.353	2.554	0	1	BFAF	
CC=CCCc1cc(O)c2c(c1)O[C@H](C)[C@@H]2CO	2356872853	ZBSDHRYEWAUMGA-PWSUYJOCSA-N	248.322	2.758	0	1	BFAF	
C=C=CCN(C)[C@@H](C)Cc1ccccc1	25991797	MGFVNVSRXDEAJK-ZDUSSCGKSA-N	201.313	2.891	0	1	BFAF	
CC1(C)C[C@H](O)[C@@]2(C)CC[C@@H](O)[C@]3(C)C[C@@H]3[C@@H]12	169666867	CTSRAGZCFQXLJB-ZOMUANAPSA-N	238.371	2.581	0	1	BFAF	
O=C1c2[nH]c3ccccc3c2CN2CCC1CC2	225794222	PIOFUVXBJANWLA-UHFFFAOYSA-N	240.306	2.576	0	1	BFAF	
O=c1[nH]c(Nc2ccccn2)cc2ccccc12	15952500	HHZRFWPJLIXTAE-UHFFFAOYSA-N	237.262	2.667	0	3	BFAF	
C[C@@H]1[C@@]2(C)CC[C@@H]3[C@H]2CC[C@@]1(C)O[C@]3(C)O	5764087	KWEHQSJHTLFZSW-UQPQVDFHSA-N	224.344	2.946	0	1	BFAF	
CCCCCC[C@@H]([C@H](C)O)n1cccn1	12405528	IJCXQZWAZPGFQK-RYUDHWBXSA-N	210.321	2.775	0	1	BFAF	
CC(=O)N/C=C/c1cccc(Br)c1	28705377	OWTSWKZAANOTIN-AATRIKPKSA-N	240.100	2.556	0	1	BFAF	
Cc1c(O)ccc2c1CC[C@@]1(C)[C@H]2CC[C@H]1O	29483208	JCOCQDKHVDAJMG-CFVMTHIKSA-N	232.323	2.891	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@H]2C1	257417379	FNMDHMSGEIODFP-QPSCCSFWSA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
CN1CCCC[C@H]1C=Cc1ccc(O)cc1	2356545514	UKYRYYDKRQVYHH-ZDUSSCGKSA-N	217.312	2.890	0	1	BFAF	
Cc1nc2nc(-c3ccccc3)nn2c(C)c1C	3218993	JFADSZPEDWUFNE-UHFFFAOYSA-N	238.294	2.717	0	3	BFAF	
CN1CCc2c(Cl)ccc3[nH]cc(c23)C1	27719245	ZVHOKJRWBUTZHT-UHFFFAOYSA-N	220.703	2.809	0	1	BFAF	
Cc1ccc(-n2cc(-c3ccccn3)nn2)cc1	72159748	VDJCDOIEFXBRLI-UHFFFAOYSA-N	236.278	2.638	0	1	BFAF	
C1=NCC(CCCCCNC2CCCCC2)=N1	100577106	KTWHZLDFQRWLDZ-UHFFFAOYSA-N	235.375	2.952	0	1	BFAF	
c1ccc(Oc2ncnc3[nH]ccc23)cc1	169331058	KUTXHEQBZVXQNL-UHFFFAOYSA-N	211.224	2.750	0	1	BFAF	
CCC[C@@H]1C[C@@H]2CC[C@@H]3NC(N)=NC(=C1CC)[C@H]23	169348146	CEMGHQSRVMICPV-RSLMWUCJSA-N	247.386	2.783	0	1	BFAF	
C(=C/c1nc2ncc[nH]c-2n1)\c1ccsc1	587026564	VPULIDPZRUZOBC-OWOJBTEDSA-N	228.280	2.536	0	1	BFAF	
CCCCC[C@@H](O)c1ccc(CO)cc1	2356757007	LMRVOUWMTBCVPJ-CYBMUJFWSA-N	208.301	2.793	0	1	BFAF	
Nc1nc(N)c2c3c(sc2n1)CCCCCC3	5840947	NZUZCIKDNIBNIL-UHFFFAOYSA-N	248.355	2.515	0	1	BFAF	
N[C@@H]1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	13676263	INLFGRVNSNAIRT-CKIYVRPFSA-N	222.719	2.576	0	1	BFAF	
CC(C)Cc1cc2nc(O)c3ccccc3n2n1	42920680	YPOMLXQCDRSOJV-UHFFFAOYSA-N	241.294	2.787	0	1	BFAF	
Clc1ccc(C[N+]2=CN3CCCC[C@H]3C2)cc1	72104695	KKDZRFYNFYOVBL-AWEZNQCLSA-N	249.765	2.749	0	1	BFAF	
O[C@@H](c1cccs1)c1cccnc1Cl	103259548	REKFSUXKEHKGTC-SECBINFHSA-N	225.700	2.878	0	1	BFAF	
CCO/C(O)=C/C1=Nc2ccccc2NC(=O)C1	103522220	WEVSJCGDGOVYIH-MDWZMJQESA-N	246.266	2.537	0	1	BFAF	
N=c1[nH]ccc2nc(-c3ccoc3C3CC3)[nH]c12	586900673	DDWUNZXZWYHRHR-UHFFFAOYSA-N	240.266	2.508	0	1	BFAF	
CC1(C)OC(=O)C[C@H]1c1nc2cccc(F)c2[nH]1	586910059	NPZGVBSWGOWMLV-ZETCQYMHSA-N	248.257	2.511	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1C[C@H]1C)O2	587405888	NYXBPELMXGRDPA-VYUIOLGVSA-N	231.295	2.567	0	1	BFAF	
CC(C)C1=CC[C@@H]2[C@H](O)CC[C@](C)(O)[C@]2(C)C1	2356395265	NHVPAQUFIGPNEZ-TUVASFSCSA-N	238.371	2.891	0	1	BFAF	
CCCCC[C@@]1(CC(C)=O)CCCC(=O)N1	13308045	CNUUHKVLRVPYKE-ZDUSSCGKSA-N	225.332	2.585	0	1	BFAF	biogenic
CN1CCC[C@@H]1C[C@H](O)/C=C/c1ccccc1	13431897	RIYVUZHFPDAAIC-SXKCSBRWSA-N	231.339	2.545	0	1	BFAF	biogenic,in-vitro
CN(C)C[C@H]1C[C@H]1c1cnc2ccccc2c1	28960133	IRSPOVOLBHRLDQ-KGLIPLIRSA-N	226.323	2.900	0	1	BFAF	
C[C@@H](CCCCCCn1ccnc1)C(=O)O	36242089	GLJGVSODTAYNOF-NSHDSACASA-N	224.304	2.554	0	1	BFAF	
CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C	105419084	JQQICFVIEZVXBF-IMJJTQAJSA-N	245.366	2.936	0	1	BFAF	
CN1N=C(c2ccccn2)C[C@H]1c1ccccc1	169328242	UTOVJCIWUJVVMT-HNNXBMFYSA-N	237.306	2.863	0	1	BFAF	
O=Cc1ccc(COCc2ccc(O)cc2)o1	199663303	TUUVLTOEZCKTEF-UHFFFAOYSA-N	232.235	2.515	0	1	BFAF	
C=C(NNc1ccccc1)c1ccccc1N	957682760	KTGMYFFRLBKHAI-UHFFFAOYSA-N	225.295	2.856	0	1	BFAF	
Cc1cc2c(CO)cc(=O)oc2c2c(C)coc12	1857561171	UFRCHZAJBUXVDS-UHFFFAOYSA-N	244.246	2.648	0	1	BFAF	
N=C1NCCc2ccc(-c3ccccc3)cc2N1	1857745036	WUVMPMWNHCFIKQ-UHFFFAOYSA-N	237.306	2.846	0	1	BFAF	
CC1(C)CCC(=O)[C@@]2(C)[C@@]3(C)CC[C@@]12O3	2356700855	ISABMWNDKIGJCM-FRRDWIJNSA-N	208.301	2.703	0	1	BFAF	
C/C=C(\C)Cc1cc(OC)cc2c1OCO2	15215016	GDYHQWOKOBLPRI-RUDMXATFSA-N	220.268	2.933	0	1	BFAF	
CCC[n+]1cccc2c1CC[C@H]1CCC[C@@H](O)[C@H]21	26279821	JPZCKUFDKXCMRK-WQVCFCJDSA-N	246.374	2.575	0	1	BFAF	
CN1CCc2c(Cl)ccc3c2[C@@H](CC3)C1	27713545	HSVQHQJUIUIWCQ-JTQLQIEISA-N	221.731	2.858	0	1	BFAF	
CCCCN[C@H]1CCc2cccc(OC)c2C1	28865162	ZJZXYYXRWZKMGX-ZDUSSCGKSA-N	233.355	2.942	0	1	BFAF	
CCCN(CC)[C@@H]1CCc2c(O)cccc2C1	39249743	YATHGSRZXANWKR-CYBMUJFWSA-N	233.355	2.981	0	1	BFAF	
CCCN1Cc2cc(OC)ccc2C[C@H](C)C1=O	71296089	CYANSHQDJQAADI-NSHDSACASA-N	247.338	2.626	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1	586886513	CHSCVGOESAYACP-UPONEAKYSA-N	236.706	2.862	0	1	BFAF	
C[C@@H]1O[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1	586916525	ACMMINIOWUJDBW-ZQEGFCFDSA-N	244.628	2.954	0	1	BFAF	
CC(C)=C[C@H](O)[C@@H](O)[C@H](C)c1ccc(C)cc1	14859909	CIGQSFSQDIHCFO-SNPRPXQTSA-N	234.339	2.787	0	1	BFAF	biogenic
C=CC(=O)Oc1ccc(NC(=O)CCC)cc1	14969018	REOLFFCHHJYMLZ-UHFFFAOYSA-N	233.267	2.517	0	1	BFAF	
NC1=N[C@H](c2cccc(F)c2)Cc2ccccc21	25975160	KLWZVSPGLUAFIN-AWEZNQCLSA-N	240.281	2.828	0	1	BFAF	
CC1=CC[C@@]2(O)[C@H](C)CC[C@@H](C(C)C)[C@@H]2[C@H]1O	38313667	DICWRYPRNPIQED-QKGCVVFFSA-N	238.371	2.747	0	1	BFAF	
COC(=O)/C=C/C(C)=C/c1ccc2c(c1)OCO2	40848864	NJEGHWSUHVWFIC-HCUSPQTFSA-N	246.262	2.548	0	1	BFAF	
O=C1CCC[C@@H](n2cc(-c3ccccc3)nn2)C1	66262754	KYBUXZGCXHXDQY-GFCCVEGCSA-N	241.294	2.629	0	1	BFAF	
CC1(C)OC[C@@H]([C@H]2CC23SCCCS3)O1	5741905	GNRXWUHNGSCKQW-BDAKNGLRSA-N	246.397	2.724	0	1	BFAF	
CCCN1CCC[C@]12COc1cccc(O)c1C2	12355923	SHUXJMKMECCNTK-HNNXBMFYSA-N	247.338	2.572	0	1	BFAF	
NC(=O)[C@@H](F)c1ccc(-c2ccccc2)c(F)c1	71329440	QFRPRCSMDFKNLO-ZDUSSCGKSA-N	247.244	2.989	0	1	BFAF	
COC(=O)/C=C/[C@@H]1c2ccccc2[C@@H](OC)[C@@H]1C	169355613	CMKYBWAWPBVWFW-VCVMBFJQSA-N	246.306	2.837	0	1	BFAF	
Cc1nccc2[nH]c(C(C)(C)Cl)nc12	587009290	ZKIJTRAHDNWYNM-UHFFFAOYSA-N	209.680	2.740	0	1	BFAF	
CC(=O)CCc1c(C)ccc2c1C(=O)OC2(C)C	1857630124	ASXMNWWZTLPXIF-UHFFFAOYSA-N	246.306	2.922	0	1	BFAF	
O=c1cc(/C=C/c2cccc(F)c2)occ1O	1857648964	HYVZFWAFPUYFIL-SNAWJCMRSA-N	232.210	2.655	0	1	BFAF	
CN(C)[C@H]1[C@@H]2C=CC[C@H]1c1ccccc1C2	5965170	KUBLWHSLTUANRG-SNPRPXQTSA-N	213.324	2.833	0	1	BFAF	
COC(=O)[C@H]1Sc2cccc3[nH]cc(c23)[C@H]1C	13480037	PPJMAHSZINPUCH-KRTXAFLBSA-N	247.319	2.919	0	1	BFAF	biogenic
c1cncc(Nc2ncnc3ccccc23)c1	13743119	KOQRKDRUVGQCBR-UHFFFAOYSA-N	222.251	2.768	0	1	BFAF	
C[n+]1ccc(-c2cccc(Cl)c2)cc1	29135417	IVHUXZMSMHJSMX-UHFFFAOYSA-N	204.680	2.832	0	1	BFAF	
COc1ccc(CCN2CC=CCC2)cc1OC	73224324	ZCNRONWKKLYGKC-UHFFFAOYSA-N	247.338	2.508	0	1	BFAF	
CC[C@H]1C(=O)Cc2c1nc1cccc3c1c2CC3	587215359	LZGPCQQINYLFEE-JTQLQIEISA-N	237.302	2.952	0	1	BFAF	
NC(=O)c1ccc(-c2cccnc2)cc1Cl	1857558222	IIFPGRHVVUABTQ-UHFFFAOYSA-N	232.670	2.501	0	1	BFAF	
C[C@@H]1CC[C@@H]2[C@@H](C1)OC(C)(C)C[C@@]2(C)O	1857753022	KDKZKKFLICQAAI-PRULPYPASA-N	212.333	2.741	0	1	BFAF	
CO[C@H]1[C@H]2CC[C@@H](O)[C@@]2(C)CC[C@H]2[C@@H]1C2(C)C	2356423228	RGHDGQIPRCRPAR-WJLGXSQGSA-N	238.371	2.845	0	1	BFAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CCC=C(CO)[C@@H]2C1	15208268	YINMQVXFJVAGNS-IPYPFGDCSA-N	238.371	2.892	0	1	BFAF	biogenic
O=C1Nc2ccccc2[C@@]1(F)c1ccccc1	25980220	HBTHVICXFWXOQG-AWEZNQCLSA-N	227.238	2.852	0	1	BFAF	
COc1cc(/C=C/c2ccc(F)cc2)oc(=O)c1	33847737	GDNPOXSXBIMWTD-QPJJXVBHSA-N	246.237	2.958	0	1	BFAF	
C[C@H]1CC(=O)[C@]23[C@H](C)C(C(=O)O)=C[C@@]2(C)CC[C@H]13	34187329	LFKSRWRSZVCLFJ-CPWYHZLMSA-N	248.322	2.659	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc[nH]c1)O2	587396905	RCGNQXXTAYLAAP-ZDUSSCGKSA-N	242.278	2.612	0	1	BFAF	
Cc1cc(O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)O)C2	1772653964	LZCCKQSDOYORKS-MWLCHTKSSA-N	248.322	2.835	0	1	BFAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)[C@H](O)[C@H]12	2356613319	HGRCRWYTMFSGFV-HYFYGGESSA-N	240.387	2.971	0	1	BFAF	
C[C@@H]1CCC[C@@]2(CCN(CCCN(C)C)C2)C1	26741652	LHSNIQNSBQTYIU-HUUCEWRRSA-N	238.419	2.840	0	1	BFAF	
COc1cc(C)cc2c1[C@H]1CCCN(C)[C@@H]1CO2	27850736	ZUULIVZIVGZUBG-NWDGAFQWSA-N	247.338	2.574	0	1	BFAF	
CSC(=S)n1cnc2ccccc21	103204616	ARGUAEBBEMMFBN-UHFFFAOYSA-N	208.311	2.532	0	1	BFAF	
C[C@H](O)CC[C@@H]1[C@H](C)CC(=O)CC1(C)C	238754057	QIHMBTNCJUFMCE-JFGNBEQYSA-N	212.333	2.789	0	1	BFAF	endogenous,in-man
CC[C@H]1OCCC[C@@H]1c1nc2cc(F)cnc2[nH]1	586910546	IJXDQZTUOUVHLS-GXSJLCMTSA-N	249.289	2.770	0	1	BFAF	
COC(=O)[C@@H]1Sc2cccc3[nH]cc(c23)[C@H]1C	13480039	PPJMAHSZINPUCH-JMCQJSRRSA-N	247.319	2.919	0	1	BFAF	biogenic
CC1=CC[C@@H]2[C@@H](C1)C(=O)c1ccccc1[C@@H]2O	14723767	ZFJHEGLUSLQBNU-MCIONIFRSA-N	228.291	2.889	0	1	BFAF	biogenic
C[C@@H]1CCC[C@]2(CCN(CCCN(C)C)C2)C1	26741662	LHSNIQNSBQTYIU-CABCVRRESA-N	238.419	2.840	0	1	BFAF	
c1cnc2[nH]c3c(c2c1)CCN1CCCC[C@@H]31	27724817	QCUFMOWEXODOQM-LBPRGKRZSA-N	227.311	2.646	0	1	BFAF	
O=C(O)c1cc2cc(-c3cnccn3)ccc2o1	71295083	MDRHYHJEIMLSOM-UHFFFAOYSA-N	240.218	2.588	0	1	BFAF	
Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@@H]2CO)N3C)cc1	100908450	XTNMIAPGRFQODN-QKPAOTATSA-N	245.366	2.554	0	1	BFAF	
CC(C)C[C@@]12C[C@@H]3CC[C@H](CNC1=O)[C@]32C	103133940	CVXGDFQPURMPGD-UZGDPCLZSA-N	221.344	2.585	0	1	BFAF	
CN1C[C@@H]2c3c(N)cccc3[C@@H]1[C@@H]1C=CC[C@H]21	169315874	KQEBFIGSBWGPFB-HOZXKAFVSA-N	226.323	2.545	0	1	BFAF	
CC1(C)C[C@H]2C[C@@]2(CO)[C@H]2CC[C@](C)(O)[C@@H]2C1	2356732879	COJSYKXSLPADGO-QIRZIZBZSA-N	238.371	2.582	0	1	BFAF	
CC1=C(C=CCCCCC[C@@H](C)O)COC1=O	2356757237	XJNVZUVIGOZMFT-LLVKDONJSA-N	238.327	2.747	0	1	BFAF	
Clc1cccc(C2=C[C@@H]3CC[C@H](C2)N3)n1	27656938	QUUUMSOCFRUASJ-VHSXEESVSA-N	220.703	2.643	0	1	BFAF	
O[C@@H](Cc1cccnc1)c1cc2ccccc2[nH]1	66077923	PFJJVSVNGNLZSK-HNNXBMFYSA-N	238.290	2.839	0	1	BFAF	
CC(C)(C)n1sc2ccccc2c1=O	115286585	NYGBCCZAIAZJFZ-UHFFFAOYSA-N	207.298	2.818	0	1	BFAF	
COC(=O)C/C=C1/c2ccccc2[C@H](OC)[C@@H]1C	169355627	BAHWNFBCNAWEMW-WMBJVKDDSA-N	246.306	2.970	0	1	BFAF	
Oc1cccc2nc(C(F)(F)C(F)F)[nH]c12	587088900	DXHGGGZOZVPULG-UHFFFAOYSA-N	234.152	2.625	0	1	BFAF	
CC(C)=C1Oc2cc3oc(=O)ccc3cc2[C@H]1O	14611963	DPWHUPBQSNHRCZ-CYBMUJFWSA-N	244.246	2.513	0	1	BFAF	biogenic,in-vitro
COc1cc2c(cc1OC(C)C)C[C@H](C)C2=O	27654572	LTSJAOJBDFVFJN-VIFPVBQESA-N	234.295	2.857	0	1	BFAF	
Cc1nnc2ccc(-c3ccccc3Cl)nn12	27657978	VJXHUUPYEZTRMW-UHFFFAOYSA-N	244.685	2.753	0	1	BFAF	
c1c[nH]c(-c2ccc3c(c2)[C@H]2CNC[C@H]3C2)c1	101030856	IVLQQMFRRZESBS-VXGBXAGGSA-N	224.307	2.856	0	1	BFAF	
CNc1nc2c3ccccc3nc-2c(O)s1	101258401	MDSWWNLESWPQQN-UHFFFAOYSA-N	231.280	2.543	0	1	BFAF	
NC1CCC(N[C@@H]2C[C@H]2c2ccccc2F)CC1	149643646	XYAZRGFFUVDRRE-JTEKXYAQSA-N	248.345	2.541	0	1	BFAF	
CCCCNc1nc(N)nc2cccc(C)c12	205020941	TXQPPOPHSURAHK-UHFFFAOYSA-N	230.315	2.732	0	1	BFAF	
Cc1ncsc1CCc1nc2cnccc2[nH]1	587027792	KDAVIEOFBDTIMD-UHFFFAOYSA-N	244.323	2.508	0	1	BFAF	
Cc1ccc(C)c2[nH]c(C[C@@H](C)N(C)C)nc12	587192584	WGNJYDDTEMKACN-LLVKDONJSA-N	231.343	2.672	0	1	BFAF	
CC[C@H](C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587405896	OBNBXNZWZUUUSV-TVQRCGJNSA-N	233.311	2.957	0	1	BFAF	
CC[C@]1(C)C[C@@](C)(C(F)(F)F)OC1=O	1857544597	BFJKFTNDFNNWRE-SFYZADRCSA-N	210.195	2.671	0	1	BFAF	
C[C@@H]1C[C@]12CC[C@](C)(O)[C@@H]1CCC(CO)=C[C@H]12	2356391112	JVZDURHSPPZZBH-DVLUHMITSA-N	236.355	2.502	0	1	BFAF	
Cc1oc(C)c2c1CCCc1cnn(C)c1-2	13537791	JYXHIYUOPFXQIM-UHFFFAOYSA-N	216.284	2.786	0	1	BFAF	
C/C=C/C=C\CCc1c(O)ccc(O)c1CO	238789172	BLJACAZTWNHFLF-IAROGAJJSA-N	234.295	2.655	0	1	BFAF	
COc1ccc2[nH]c3c(C=O)nccc3c2c1	1857651073	HQCFFCYIVXJFKT-UHFFFAOYSA-N	226.235	2.537	0	1	BFAF	
CC=C(C)COC(=O)C=Cc1ccc(O)cc1	2356563016	NPPRPBQYEVGVFU-UHFFFAOYSA-N	232.279	2.915	0	1	BFAF	
CC1(C)CC2=C(CO)[C@H]3C[C@H](O)[C@@]3(C)C[C@@H]2C1	14715734	BHLLKLUQUGBURV-AETLKFDBSA-N	236.355	2.502	0	1	BFAF	
C[C@@H](NC(C)(C)C)C(=O)c1cc(F)cc(F)c1	45289811	CXFKXPAAWKFBPJ-MRVPVSSYSA-N	241.281	2.924	0	1	BFAF	in-vivo
CC(C)C(=O)O[C@H]1C[C@@H]2C[C@H]1[C@H]1C=CC[C@H]21	100051211	QNEXACLQEWOALO-PPCPHDFISA-N	220.312	2.786	0	1	BFAF	
COc1cc(COC(C)=O)ccc1C(C)C	238759618	IWJQQZMMUFFRPH-UHFFFAOYSA-N	222.284	2.882	0	1	BFAF	
CCCC[C@@H]1[C@@H](C)C[C@H]2CCC3=C2[C@H]1NC(=N)N3	238759754	BOOHKNSPXWBALG-OXIWPEFWSA-N	247.386	2.993	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3C[C@H]31)O2	587402881	AREKPQBSDPDGIM-ZVWUFJHRSA-N	243.306	2.711	0	1	BFAF	
CC1=CC[C@@H]2[C@H]([C@@H]1O)[C@H](C(C)C)CC[C@@]2(C)O	2356463257	UWHNWJPJCCVVKQ-NJVJYBDUSA-N	238.371	2.747	0	1	BFAF	
CC1=C[C@@H]2OC[C@](C)(O)[C@@H]3CC[C@@H](C)[C@]23CC1	2356490604	OVRVTHVKQKPRTG-QTVXIADOSA-N	236.355	2.909	0	1	BFAF	
CCCC(=O)CC=CC[C@@H]1OC(=O)C[C@@H]1C	2356721505	GVXCZAWBYHCYJS-JQWIXIFHSA-N	224.300	2.644	0	1	BFAF	
Cc1nc2ccc(F)cc2c2c1CCO2	13216481	YRQHOEAMFIXLSD-UHFFFAOYSA-N	203.216	2.617	0	1	BFAF	
CC(C)(C)NCCCCCc1c[nH]cn1	13685892	AFJWXHZYSMRBOR-UHFFFAOYSA-N	209.337	2.511	0	1	BFAF	
COc1cc(OC)c2ccccc2c1OC	14612274	WYZRFRHDHZZWIH-UHFFFAOYSA-N	218.252	2.866	0	1	BFAF	biogenic
CCCN1CCO[C@@H]2c3ccsc3CC[C@@H]21	26822561	GRHVCLHQXSTVGR-WCQYABFASA-N	237.368	2.846	0	1	BFAF	
C[C@H]1CC[C@H]2[C@H]1C[C@H](C(C)(C)O)CC[C@@]2(C)O	40863529	NAGNILQBMVLGAF-WHRXGGIHSA-N	240.387	2.971	0	1	BFAF	
CC1(C)C=Cc2cc(/C=C\C(=O)O)ccc2O1	148936821	IHRUERBZEZCICE-XQRVVYSFSA-N	230.263	2.969	0	1	BFAF	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C	166423892	IXBQQRJVGUUKAO-ZJIFWQFVSA-N	243.350	2.842	0	1	BFAF	
CO[C@@H]1[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]13)C2(C)C	2356423226	RGHDGQIPRCRPAR-RQWGMIHLSA-N	238.371	2.845	0	1	BFAF	
CCCCC[C@H]1CC=C[C@H](O)CCCC(=O)O1	2356629197	UYQOFPNMJKJWGM-STQMWFEESA-N	240.343	2.970	0	1	BFAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@@]1(CO)CC[C@@H]1[C@@](O)(C3)C2	2356691750	VWXJFXQIBPYSRN-OWDFPOFWSA-N	248.366	2.502	0	1	BFAF	
O=C(O)COc1ccc2c(c1)Cc1ccccc1-2	28093539	GMVLTKJTCURFNX-UHFFFAOYSA-N	240.258	2.721	0	1	BFAF	
Cc1n[nH]c2ccc(-c3cccnc3)cc12	63540170	HXESDBWWDYJEJQ-UHFFFAOYSA-N	209.252	2.933	0	1	BFAF	
Nc1ccc(/C=C\c2nc3cccnc3[nH]2)cc1	587252176	SDQDQFSZVSSNKN-YVMONPNESA-N	236.278	2.711	0	1	BFAF	
CCOCCOCc1nc2cc(C)c(C)cc2[nH]1	587779316	ZMRXSNRIHKUXOT-UHFFFAOYSA-N	248.326	2.733	0	1	BFAF	
N[C@@H](N=O)c1ccc(COc2ccccc2)cc1	957756772	OKQBPCPHCOKEKT-AWEZNQCLSA-N	242.278	2.989	0	1	BFAF	
CCn1cnnc1-c1nsc2ccccc12	1633455	VIEDSAGGHWDGTE-UHFFFAOYSA-N	230.296	2.575	0	1	BFAF	
COc1c2c(cc3occc13)C[C@@H](C)OC2=O	13408183	LJCCQQNTPLPSNX-SSDOTTSWSA-N	232.235	2.543	0	1	BFAF	endogenous,in-man
CC(C)Sc1nc2ccccc2c(=O)o1	27527273	MAFKKFPPEXCSRY-UHFFFAOYSA-N	221.281	2.689	0	1	BFAF	
Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2CO)N3C)cc1	100908455	XTNMIAPGRFQODN-KLHDSHLOSA-N	245.366	2.554	0	1	BFAF	
CN1C[C@H]2CC[C@H](C1)C2c1ccccc1	100947955	PCIZKUQSMBPAAB-CHWSQXEVSA-N	201.313	2.742	0	1	BFAF	
CC(C)[C@H](/C=C/[C@H](C)O)CC[C@@H](C)CO	195508029	KMASBAKBQVORTA-KPXPYXCUSA-N	214.349	2.604	0	1	BFAF	
CN1CC[C@@H]2C3C[C@@H]4C[C@H](C3)CC2(C4)C1	253798399	UCJWQMDBVPPJOW-NFMDPKQHSA-N	205.345	2.764	0	1	BFAF	
CC1=C(Br)C(=O)O/C1=C\C(C)C	1911575627	UNCZDKYUOLJDOT-DAXSKMNVSA-N	231.089	2.752	0	1	BFAF	
Cc1ccc([C@@H](O)CC=CC(C)(C)O)cc1	2356725238	ATTVREPYACEHQX-ZDUSSCGKSA-N	220.312	2.746	0	1	BFAF	
CC[C@H](C)n1nnc2c(=O)oc3ccccc3c21	176875	QBGFQEMBIAXCGJ-QMMMGPOBSA-N	243.266	2.509	0	3	BFAF	
CN1CCC[C@@H]2c3ccccc3CC[C@H]21	105361932	CAIZFPWDMVYDRN-ZIAGYGMSSA-N	201.313	2.811	0	3	BFAF	
CN1C(=O)CC[C@@]2(C)c3ccc(F)cc3CC[C@@H]12	40503784	RCEBVKVYLHBTNY-HIFRSBDPSA-N	247.313	2.650	0	1	BFAF	
CCCC[C@@H](N)[P@@](=O)(O)Oc1ccccc1	49071948	WRTBDONQGQRUNP-NSHDSACASA-N	243.243	2.726	0	1	BFAF	in-vivo
COc1cccc(-c2cc3[nH]ccnc-3n2)c1	100831322	BYPXKUXIBAKVIH-UHFFFAOYSA-N	225.251	2.585	0	1	BFAF	
Cc1nc(N)sc1-c1cnc(C(C)(C)C)o1	103253772	BCQGTEBRDWVALT-UHFFFAOYSA-N	237.328	2.986	0	1	BFAF	
C=C(NC(C)=O)c1nc2cc(Cl)cc(C)c2[nH]1	587203392	NLCAHUDEWDJDHY-UHFFFAOYSA-N	249.701	2.632	0	1	BFAF	
N[C@@H](N=O)c1ccc(Oc2ccccc2)nc1	957756847	USAQSPOQDCQCOD-LBPRGKRZSA-N	229.239	2.598	0	1	BFAF	
C[C@]12N[C@H]([C@H](O)c3ccccc31)[C@@H]1CCCC[C@@H]12	25996191	QUUVVNAADCNVJY-YXLJTMCISA-N	243.350	2.727	0	1	BFAF	
Cc1ncccc1OC(=O)c1cccs1	28636732	WYFUZAKGLVUYMT-UHFFFAOYSA-N	219.265	2.671	0	1	BFAF	
Clc1cc2c(cn1)[C@@H]1[C@@H]3CC[C@@H](N3)[C@@H]1CC2	58500395	HYHQVGSPVWWXJX-UIMWLRQOSA-N	234.730	2.515	0	1	BFAF	
CCOc1cccc(O)c2c(C)nc(C)c1-2	103547252	DVGQDPRYWRPARV-UHFFFAOYSA-N	217.268	2.908	0	1	BFAF	
CC(C)C(=O)O[C@@H]1C[C@H]2C(=O)C[C@]1(C)C2(C)C	238737603	OHPJGLFLDMKGHR-PXWWUCIGSA-N	238.327	2.579	0	1	BFAF	
CC(C)(Cl)c1nc2ccc(C(=O)O)cc2[nH]1	587007949	JJSVMWYTLWJVDR-UHFFFAOYSA-N	238.674	2.735	0	1	BFAF	
CC(C)=CCC[C@H](C)[C@@H]1C[C@H](O)C=C[C@@H]1O	2356407225	SUVNWYDXCRSEDC-CRWXNKLISA-N	224.344	2.667	0	1	BFAF	
Cc1ccc2c(c1)C=CC(C)(C)S2(=O)=O	5747467	LKCAQDHAUNBVCI-UHFFFAOYSA-N	222.309	2.574	0	3	BFAF	
CC1(C)CCN2C(=O)[C@]34CCC[C@H]3C[C@@]21S4	1863624	YNWINBYEJRPYBT-XDTLVQLUSA-N	237.368	2.631	0	1	BFAF	
CC1(C)C[C@H]2[C@H](C=C3CO[C@@H](O)[C@]34C[C@]24C)C1	40413414	JPFARHSFKRUMBZ-IUBWNAFWSA-N	234.339	2.724	0	1	BFAF	
CC[C@H](C)[n+]1cccc(-c2nc(C)ns2)c1	103193882	UEQWKTAALULLAU-VIFPVBQESA-N	234.348	2.772	0	1	BFAF	
Cc1ccnn1Cc1cc2c3c(cccc3n1)CC2	587210696	DVTFVYOJWGGDNM-UHFFFAOYSA-N	249.317	2.887	0	1	BFAF	
Cc1nc(C=O)cc2c3ccccc3n(C)c12	1857643097	JDRNJSYNORRAOK-UHFFFAOYSA-N	224.263	2.847	0	1	BFAF	
CC(C)CCn1c(=S)[nH]c2ncccc2c1=O	424547	SDGJDKNCDDMKLR-UHFFFAOYSA-N	249.339	2.500	0	1	BFAF	
CCOc1ccc2occ(CCNC(C)=O)c2c1	13781743	ZZHUOEGBDQPYPV-UHFFFAOYSA-N	247.294	2.510	0	1	BFAF	
Cc1cn2cccc3c2c1C[C@@H]1[C@@H]3CCCN1C	26005667	OYXYJFIGCNKHCH-IUODEOHRSA-N	240.350	2.982	0	1	BFAF	
COC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1O2	26580134	VEWNLDNSIXATRX-REWJHTLYSA-N	246.306	2.511	0	1	BFAF	
Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1	28823440	BCAXZPBXHSIFDP-XGICHPGQSA-N	240.262	2.521	0	1	BFAF	
CCOC(=O)c1c(N)oc2c(C)cc(O)c(C)c12	64527333	ARMBWUFDRCSKKX-UHFFFAOYSA-N	249.266	2.514	0	1	BFAF	
CC1=CC[C@@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12	238771284	FQTDJSUKIPVNPW-RYPNDVFKSA-N	238.371	2.747	0	1	BFAF	
O=c1cc(Cc2ccncc2)oc2ccccc12	653709129	MMRWEOIBRCKBDK-UHFFFAOYSA-N	237.258	2.779	0	1	BFAF	
CC(C)(O)[C@@H]1C[C@@H]2[C@](C)(CC1=O)C[C@H]1C[C@]12C	2356417392	ZUTBZJSJTAUXPB-GUWLUGEHSA-N	236.355	2.789	0	1	BFAF	
CC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@H](O)CC[C@]21C	2356721882	RCYZLITTYILPNL-FASAMLHVSA-N	236.355	2.501	0	1	BFAF	
C[C@H]1CC[C@@H]2[C@H]1C[C@H]([C@H](C)CO)CC[C@]2(C)O	2356728996	ZPYVXPAWWQZYPQ-MTWVNVMRSA-N	240.387	2.828	0	1	BFAF	
c1ccc2c(-c3ccc4nncn4c3)cncc2c1	61903259	BMZZFOUWJMGDQC-UHFFFAOYSA-N	246.273	2.945	0	3	BFAF	
C[C@@H]1CC=C2C(C)(C)CC(=O)C[C@]2(C)O1	15274346	PYUYJSFTZPYHDW-RNCFNFMXSA-N	208.301	2.869	0	1	BFAF	endogenous,in-man
c1ccc(CCCCNCCc2c[nH]cn2)cc1	38675873	IENIYZRAOVYTDS-UHFFFAOYSA-N	243.354	2.565	0	1	BFAF	
CCC(CC)Nc1nc(N2CCCC2)ncc1C	82212705	HGSUUQKXUICAHB-UHFFFAOYSA-N	248.374	2.986	0	1	BFAF	
CC1=C[C@H]2[C@@H](C[C@H]1O)[C@@](C)(O)CCCC2(C)C	95912402	DKDSGYSHJKYLBQ-JLNYLFASSA-N	238.371	2.891	0	1	BFAF	biogenic,in-vitro
CC[C@@H](C)CCc1oc(=O)c(C)c(O)c1C	2356866220	VMYCTTZKXRNXSD-MRVPVSSYSA-N	224.300	2.941	0	1	BFAF	
C[C@@H]1C[C@H](CN(C)C)C(=O)c2ccccc21	2009255	BMYUJTNCCMBFCL-GHMZBOCLSA-N	217.312	2.554	0	1	BFAF	
C[C@@H]1CC[C@H](CO)[C@@H](CO)C2=CC(C)(C)C[C@H]21	14769107	OCZFSWYTAUQJDV-NRWUCQMLSA-N	238.371	2.606	0	1	BFAF	biogenic
CCCCN(CCC)[C@H]1CCc2n[nH]cc2C1	26480597	SMDLVEZTAYYBNM-ZDUSSCGKSA-N	235.375	2.779	0	1	BFAF	
CN(C)CCN1Cc2cccc3cccc(c23)C1	28639445	CPOVIVNRQQBLFR-UHFFFAOYSA-N	240.350	2.717	0	1	BFAF	
CCCCCC[C@@H](O)c1cccc(O)c1CO	169352306	YFHSCNMWYNQDGC-CYBMUJFWSA-N	238.327	2.888	0	1	BFAF	
C=C[Si](C)(C)c1ccc(-c2ccccn2)nc1	198207128	WEDIRDNQTSPBJE-UHFFFAOYSA-N	240.382	2.784	0	1	BFAF	
CC[C@]1(C)C[C@@H]1c1nc2cccnc2[nH]1	586892732	VYHAHQOPULJJTL-PRHODGIISA-N	201.273	2.862	0	1	BFAF	
Clc1ncc2nc(C=C3CCC3)nc-2[nH]1	587964958	KLONUIRVRWDIOJ-UHFFFAOYSA-N	220.663	2.525	0	1	BFAF	
N[C@@H](N=O)c1c(Cl)cccc1Cl	957586841	PSSAXYCUTGAAOR-ZETCQYMHSA-N	205.044	2.717	0	1	BFAF	
CC(=O)Nc1ccc(OC2CC2)c(Cl)c1	1226880019	KFKDWESICZADKT-UHFFFAOYSA-N	225.675	2.840	0	1	BFAF	
CC(C)(O)C=CC[C@]1(C)[C@H]2CC[C@@]1(C)[C@H](O)C2	2356529260	ZPMZHEDPVXDYLL-MXYBEHONSA-N	238.371	2.891	0	1	BFAF	
CC=CC=CC=C[C@@H]1C[C@@H](O)CC(=O)[C@H]1C	2356594123	JQUGOGSMHDBLNB-YNEHKIRRSA-N	220.312	2.651	0	1	BFAF	
C(=C/c1ccc2nncn2c1)\c1ccccc1	61926653	CIJNYVJFHDTRLO-VOTSOKGWSA-N	221.263	2.900	0	3	BFAF	
O=C1OCOC2(CCCC2)[C@@H]1c1ccccc1	5954568	BLINMRDHMPCMPI-GFCCVEGCSA-N	232.279	2.614	0	1	BFAF	
CCN(CC)CC1=CC(C)(C)N(O)C1(C)C	27095270	CHPONFOWTSRMHM-UHFFFAOYSA-N	226.364	2.517	0	1	BFAF	
C[C@@H](O)CC[C@@H]1[C@H](C)CC(=O)CC1(C)C	85878541	QIHMBTNCJUFMCE-CKYFFXLPSA-N	212.333	2.789	0	1	BFAF	in-man
COc1cc(/C=C/c2cccc(O)c2)oc(=O)c1	95485945	OTUOXICPKZUISB-AATRIKPKSA-N	244.246	2.524	0	1	BFAF	biogenic,in-vitro
CCC12CC34CNCC3(C1)CC2(CC)C4	103283769	RPZNMEVEZAXFJT-UHFFFAOYSA-N	205.345	2.956	0	1	BFAF	
CC1(C)CCC[C@@]2(C)[C@H]3[C@H](O)C[C@@]2(C)[C@@H](O)[C@H]31	254003299	VWMGBHVRRNKOAE-YLHZTVIJSA-N	238.371	2.581	0	1	BFAF	
C=CC(=O)NCCc1cc(C2CCCCC2)no1	618017118	GBINHCKDQCUUMT-UHFFFAOYSA-N	248.326	2.567	0	1	BFAF	
C[C@@H]1C[C@@]23[C@@H]4CCCN2CCC[C@H]3[C@@H](CC4)[C@@H]1O	2356649131	ANZDCOUFLQZNEJ-FWXGHANASA-N	249.398	2.658	0	1	BFAF	
CN(C)[C@H]1[C@H]2C=CC[C@@H]1c1ccccc1C2	5599749	KUBLWHSLTUANRG-CFVMTHIKSA-N	213.324	2.833	0	1	BFAF	
Cc1cccc2c1NC(=O)c1cc(N)ccc1O2	5931322	IOXBBSNWPQDGCM-UHFFFAOYSA-N	240.262	2.935	0	1	BFAF	
CC1=C[C@@](O)(C(C)C)C(=O)c2cc(C)c(O)cc21	13299529	KXIUPESKOQTYRQ-OAHLLOKOSA-N	246.306	2.687	0	1	BFAF	biogenic
Cc1ccc2c(c1)-c1c(ccn1C[C@@H](C)N)C2	26670200	SODYJZFWKMYTAY-LLVKDONJSA-N	226.323	2.715	0	1	BFAF	
Clc1cncc(Nc2n[nH]c3cccnc23)c1	118722366	KZHKDFWFEMNXPI-UHFFFAOYSA-N	245.673	2.750	0	1	BFAF	
CC(C)CC[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719261	YGQAILHTORSALQ-GZMMTYOYSA-N	214.330	2.660	0	1	BFAF	
CC[C@]1(C)C[C@H]1c1nc2cccnc2[nH]1	586892733	VYHAHQOPULJJTL-QPUJVOFHSA-N	201.273	2.862	0	1	BFAF	
CC[C@H]1OCCC[C@H]1c1nc2c(C)ccnc2[nH]1	586914798	YBOZUHPKBZOJQS-GHMZBOCLSA-N	245.326	2.939	0	1	BFAF	
COc1cc2c3c(c1)O[C@](C)(C1CC1)[C@@H](C2)C3=O	587445712	NGUJUADGPMELDG-XHDPSFHLSA-N	244.290	2.611	0	1	BFAF	
O=c1cc(-c2ccccn2)oc2cc(O)ccc12	653727944	UEJCBVGSJQBOOB-UHFFFAOYSA-N	239.230	2.561	0	1	BFAF	
Cc1cccc2c1SC(=S)N1CCCN=C21	1857590540	BCZROZPMQANTPH-UHFFFAOYSA-N	248.376	2.838	0	1	BFAF	
COC(=O)CC[C@]12CC[C@H](O1)c1ccccc12	1856911	RAEYJAPMCKFCSM-JSGCOSHPSA-N	232.279	2.700	0	1	BFAF	
Cc1ncc2c(n1)-c1ccccc1[C@H]2n1ccnc1	13586710	BBGGTIYYIGXEIP-OAHLLOKOSA-N	248.289	2.600	0	1	BFAF	
CC1(C)CC2=C(CO)[C@@H]3CC[C@]3(C)C[C@@H]2[C@@H]1O	14715761	FJJAETYIHFUSNA-GZCFXPHUSA-N	236.355	2.502	0	1	BFAF	biogenic
CC(=O)CC[C@@H](C(C)C)[C@H]1[C@@H]2CCC(=O)[C@@H]21	14926696	GDQRIBRXZMXMRL-AUZPSNTRSA-N	222.328	2.853	0	1	BFAF	
CC(=O)Cc1nsc(Nc2ccccc2C)n1	82051996	BPOBORCAKQUXIA-UHFFFAOYSA-N	247.323	2.722	0	1	BFAF	
Fc1cccc2nc(COC(F)(F)F)[nH]c12	587123314	HRDDOZBXOHDJNQ-UHFFFAOYSA-N	234.152	2.738	0	1	BFAF	
C[C@@H]1O[C@H](C2CCCCC2)Cc2[nH]nc(O)c21	95569030	FUGMBTDPJHNEQQ-KWQFWETISA-N	236.315	2.698	0	3	BFAF	
C=C1C=CC[C@H](C)[C@@]1(C)CCC1=C[C@@H](O)OC1=O	15273493	DNVMNEBSCNECGO-WHOFXGATSA-N	248.322	2.727	0	1	BFAF	biogenic
COc1ccc(CCc2cccnc2)cc1OC	26269989	ZVNNLYRODDNIDP-UHFFFAOYSA-N	243.306	2.884	0	1	BFAF	
Oc1ccc(C2=Nc3ccc(O)cc3OC2)cc1	53151203	OZTZEJHIEFWILS-UHFFFAOYSA-N	241.246	2.611	0	1	BFAF	
N[C@@H]1C[C@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12	103920986	PXBYQBLMVYZPGE-HSUXUTPPSA-N	243.203	2.711	0	1	BFAF	
O=C(CCCOc1ccccc1O)C(F)(F)F	115390220	ONSGKUXSGOUZJS-UHFFFAOYSA-N	248.200	2.683	0	1	BFAF	
Cc1ccc2nc(CCOCC3CC3)[nH]c2c1	587783490	SRCSIZMGXKIGOM-UHFFFAOYSA-N	230.311	2.840	0	1	BFAF	
CCCCC1=C2NC(=N)N[C@@H]3CC[C@@H](C[C@H]1C)[C@H]23	238779837	MGZKFJKGMKJURC-DNIRFERGSA-N	247.386	2.993	0	1	BFAF	
C[C@H]1C[C@H]2Cc3ncccc3[C@@]3(C1)NCCC[C@H]23	257454713	JJPMUZRSJKMFRK-JFILPPLUSA-N	242.366	2.879	0	1	BFAF	
Clc1ccc2[nH]c3snnc3c2c1	653762904	DRCQRRRQEQLKKA-UHFFFAOYSA-N	209.661	2.826	0	1	BFAF	
CCC/C=C/COCN1C=CN(C)C1=CN=O	1857539292	NRHXYIKYYQSKBM-FCOILQGYSA-N	237.303	2.601	0	1	BFAF	
CC(C)[C@@H]1CC[C@H](C)[C@@]12CC=C(CO)[C@@H](O)C2	2356325087	MTFXKUDGSGWVIS-MXAVVETBSA-N	238.371	2.748	0	1	BFAF	
CC(C)(C)OC(=O)/C=C/[C@@H]1Cc2ccccc2N1	206036625	UNRYQWFCBQAYMD-IDVQTMNDSA-N	245.322	2.921	0	3	BFAF	
CN(C)CCn1cnc2sc3ccccc3c21	1628591	BHWUXLNSSKNOPO-UHFFFAOYSA-N	245.351	2.813	0	1	BFAF	
CC(C)C[C@@]12C[C@H]3CC[C@H](CNC1=O)[C@]32C	5812844	CVXGDFQPURMPGD-MHDGFBEUSA-N	221.344	2.585	0	1	BFAF	
COc1cccc2c1Oc1ncccc1NC2	6751408	ZCGWRGSKGWJBDQ-UHFFFAOYSA-N	228.251	2.808	0	1	BFAF	
Cc1cc(NC(=O)c2cc3ccccc3o2)on1	13596969	JSHBHWMEYYQLDG-UHFFFAOYSA-N	242.234	2.982	0	1	BFAF	
CCCN(CCC)[C@@H]1CCn2c(C=O)ccc2C1	13642122	RIOOLQVLOZQLQJ-CYBMUJFWSA-N	248.370	2.737	0	1	BFAF	
Cc1c2c(cc3c1C(=O)OC3)CC(C)(C)C2	14615047	YLKUFXOXKFXVPI-UHFFFAOYSA-N	216.280	2.790	0	1	BFAF	biogenic
CNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1	14968273	VAHVDMYRASESOR-UHFFFAOYSA-N	242.200	2.589	0	1	BFAF	
O=C1CC[C@H](c2ccccc2)[C@H]2CCCCN12	28645399	JXMPKLBLDBKBJN-ZIAGYGMSSA-N	229.323	2.945	0	1	BFAF	
Cc1nc2cc3c(cc2s1)[C@H]1CNC[C@H]3C1	101029446	HPWMUPCSPGRYGY-RKDXNWHRSA-N	230.336	2.779	0	1	BFAF	
CC(=O)[C@H]1CCc2c1nc1cccc3c1c2CC3	587214094	OIARBGAAXBRQKS-LLVKDONJSA-N	237.302	2.952	0	1	BFAF	
CC1=C[C@@H]2OC[C@](C)(O)[C@@H]3CC[C@H](C)[C@]23CC1	2356490605	OVRVTHVKQKPRTG-YTFOTSKYSA-N	236.355	2.909	0	1	BFAF	
C[C@H]1CC[C@@]23C[C@]1(C)[C@@H](O2)[C@@H]1[C@@H]3CC[C@@]1(C)O	13415263	ZZIIQFIUUNNRQC-YQFOFLOKSA-N	236.355	2.741	0	1	BFAF	
CN[C@]12CCCC[C@H]1C[C@@H](O)c1ccccc12	13831988	JJMXINCNBCMRDO-NILFDRSVSA-N	231.339	2.729	0	1	BFAF	
COc1c2c(c3ccccc3c1OC)OCO2	14612260	JRTKQSYUDQVSHV-UHFFFAOYSA-N	232.235	2.586	0	1	BFAF	biogenic
CCCCCC[C@H](C)OC(=O)CC(C)=O	27705144	PDKMYPRHFNYVSJ-NSHDSACASA-N	214.305	2.868	0	1	BFAF	
CN(C)CCc1c[nH]c2cc3c(cc12)CCCO3	28763791	GDVHTKPSUKLKSD-UHFFFAOYSA-N	244.338	2.597	0	1	BFAF	
CCOC(=O)[C@H]1Cc2ssc(=S)c2C1	53243056	APZCCORPJAWLPK-RXMQYKEDSA-N	246.378	2.817	0	1	BFAF	
COC(=O)CCC[C@H]1C(=S)Nc2ccccc21	100368908	BEJWMUKDOQNVDX-SNVBAGLBSA-N	249.335	2.866	0	1	BFAF	
Cc1ccccc1C[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719267	GRWPBKZKPSWYDU-IINYFYTJSA-N	248.347	2.775	0	1	BFAF	
CC1(C)C[C@@H]2[C@H](C1=O)[C@@]1(C)CCC[C@@]2(C)C1=O	195428802	JADJNAKWESLSIG-XEQNPHJVSA-N	234.339	2.997	0	1	BFAF	
CC(C)[C@H]1CC[C@@]2(C)O[C@]3(C)CC[C@H]2[C@@H]3[C@H]1O	238783898	WGOZJQAFXWCUAZ-ARSDKDGVSA-N	238.371	2.987	0	1	BFAF	
O[C@@H](Cc1ccccc1)c1cccc2[nH]ncc12	1857605180	NMBJPMWZRMOLSC-HNNXBMFYSA-N	238.290	2.839	0	1	BFAF	
C[C@H](O)CCCC=Cc1cccc(O)c1C=O	2356718885	IXCJIFVAQRHSSH-NSHDSACASA-N	234.295	2.769	0	1	BFAF	
C[C@@H]1C=C2N3CCC[C@@H]4[C@@H](O)C[C@@H](C1)[C@@]24CCC3	6038004	HOKAQRSZUDJBEU-SQCNAZHOSA-N	247.382	2.783	0	1	BFAF	biogenic
CSC(=S)N(C)CCc1ccccc1	13679669	VFJMLLDEBFJPAS-UHFFFAOYSA-N	225.382	2.809	0	1	BFAF	
CCNc1nnc(-c2nsc3ccccc23)o1	29321683	VCKUWZZDZSNCHU-UHFFFAOYSA-N	246.295	2.778	0	1	BFAF	
Clc1ncnc2c1ncn2[C@H]1C[C@H]2CC[C@@H]1C2	49807609	HCMOLGILLULWHJ-YIZRAAEISA-N	248.717	2.841	0	1	BFAF	
C(=C\c1ccc2nccn2n1)\c1ccccc1	84641406	GIMMCSLNUXYLSO-SREVYHEPSA-N	221.263	2.900	0	1	BFAF	
C[C@H](O)c1cc2c3ccccc3nc-2c[nH]1	100705550	MLTOLDZKRRZLDR-QMMMGPOBSA-N	212.252	2.721	0	1	BFAF	
c1cc2c3c(cc(Cc4cnccn4)nc3c1)CC2	587213026	SNOBUUIPRWDVBB-UHFFFAOYSA-N	247.301	2.714	0	1	BFAF	
Cc1ccnc(Nc2nc(C)cs2)c1	621429335	HWQSYBFQWDHCAO-UHFFFAOYSA-N	205.286	2.899	0	1	BFAF	
CC(C)C1=C[C@H]2C[C@H]1[C@H]1CCC[C@H]2[C@H]1O	2356330555	LMGUWOKULYXROK-QPKSUZNQSA-N	206.329	2.996	0	1	BFAF	
COC[C@]1(C)Cc2c(C)c(N)c(C)c(C)c2O1	13652099	YGBPWCHWOUYRMI-AWEZNQCLSA-N	235.327	2.534	0	1	BFAF	
C[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1	34484999	WYFCRYMMLDTJAM-CUOATXAZSA-N	210.280	2.637	0	1	BFAF	
CN1CCOc2cc(-c3cccnc3)ccc21	40866295	YBIUDQZQNQCPTN-UHFFFAOYSA-N	226.279	2.577	0	1	BFAF	
O=c1[nH]cnc2scc(C3CCCC3)c12	96933982	XNSBZLGASXXEEL-UHFFFAOYSA-N	220.297	2.642	0	1	BFAF	
CC(C)(C)N[C@@H]1[C@H]2CC[C@@](C)([C@H]1O)C2(C)C	299814083	VBIQESJEDOKYKY-PUHVVEEASA-N	225.376	2.560	0	1	BFAF	
CC1=C[C@@H](c2ccc(Cl)cc2)NC(=S)N1	473135122	FTAGEODBVBCSJC-JTQLQIEISA-N	238.743	2.763	0	1	BFAF	
c1cc2c3c(cc(-c4cnccn4)nc3c1)CC2	587212211	LXTVTJRFFIUEEH-UHFFFAOYSA-N	233.274	2.790	0	1	BFAF	
C(=C/c1ncnc2[nH]cnc12)\c1ccsc1	13836912	CINDOJWJHVHBRI-OWOJBTEDSA-N	228.280	2.585	0	1	BFAF	
CNC(=O)/C(C)=C/c1cccc(C(F)(F)F)c1	26831246	QVZSYACQIDPBSG-SOFGYWHQSA-N	243.228	2.855	0	1	BFAF	
CC(=O)OCCCCCCOc1cccnc1	84707493	AAMWJECANWFWNN-UHFFFAOYSA-N	237.299	2.584	0	1	BFAF	
COc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1C	587258968	OELMXAVNQGXEIG-LBPRGKRZSA-N	233.315	2.536	0	1	BFAF	
CCCN[C@H]1CCc2ccc(O)cc2C1(C)C	13583887	PVOSVYGOADCZBI-AWEZNQCLSA-N	233.355	2.984	0	1	BFAF	
COc1ccc2c(c1O)-c1ccc(O)cc1CC2	14651084	BEGFRCSTDJAVIY-UHFFFAOYSA-N	242.274	2.872	0	1	BFAF	biogenic
Cc1cc2c(c3c1[nH]c1ccccc13)CNC2=O	14945856	KLGABHWHJCEHJK-UHFFFAOYSA-N	236.274	2.873	0	1	BFAF	
CN1CC[C@@]2(c3ccc(O)cc3)CC[C@@H]1C2	27850837	GTUIXPUWWADVRZ-OCCSQVGLSA-N	217.312	2.518	0	1	BFAF	
CCCCCC[C@H]1C[C@H]2CC(=O)O[C@H]2O1	34503380	JCLHTYWURHGXCK-JBLDHEPKSA-N	212.289	2.635	0	1	BFAF	
[O-][n+]1onc2ccc(/C=C/c3ccccc3)cc21	40845074	AURGNRKEXHVPOH-VOTSOKGWSA-N	238.246	2.632	0	1	BFAF	
COCc1cccc2c1CC[C@H]2c1ncc[nH]1	40898979	JWBITSJEDCQDHU-CYBMUJFWSA-N	228.295	2.634	0	1	BFAF	
COCCN[C@H](C)Cc1ccc(SC)cc1	49018177	MDSVGWNIKXFCMY-LLVKDONJSA-N	239.384	2.576	0	1	BFAF	
CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(O)=C(C(=O)O)C1	82047158	JOPGDNKFOCERPE-YUMQZZPRSA-N	236.267	2.542	0	1	BFAF	
Cc1ccc(-n2c(C)nc3ccc(O)nc32)cc1	118272292	QMTVHEKLJQVBGM-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
C[C@@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC=C2[C@]34C1	136497681	XZMYQBCMWCZCML-TWJWRFFLSA-N	245.366	2.786	0	1	BFAF	
CCCCCCc1c(O)cc(C)oc1=O	1857635473	DCVBFYUIVIPAOH-UHFFFAOYSA-N	210.273	2.777	0	1	BFAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@H]1O	2356824559	GWCBXQJXFMEEBJ-PGKPSXLWSA-N	238.371	2.725	0	1	BFAF	
Cc1ccc2[nH]c(-c3cc[n+](C)cc3)cc2c1	63339	GHXKKOWRRLIECM-UHFFFAOYSA-O	223.299	2.968	0	1	BFAF	
O=C1C[C@@H](O)c2c(Cl)sc(Cl)c21	1654954	IPLHVUWWQLHYTD-UWTATZPHSA-N	223.080	2.675	0	1	BFAF	
C[C@H]1CCC[C@](O)([C@@H](C(=O)O)c2ccccc2)C1	17149388	ZXADRCVGENLGTA-NJZAAPMLSA-N	248.322	2.796	0	1	BFAF	
CN[C@]12CCCC[C@H]1Cc1ccsc12	27739457	ONFGTFYUJIVLQQ-CMPLNLGQSA-N	207.342	2.909	0	1	BFAF	
CC1(C)C=C(CN2CCCCC2)C(C)(C)N1[O]	101978233	QZMLCACMIRIKLE-UHFFFAOYSA-N	237.367	2.617	0	1	BFAF	
CSc1ccc2nc([C@H]3CCOC3)[nH]c2c1	586913924	VRJUHMPCENWMIK-QMMMGPOBSA-N	234.324	2.789	0	1	BFAF	
CC(C)CC(=O)NC=Cc1ccc(O)cc1	2356714708	HPFHYVCJRAWMEL-UHFFFAOYSA-N	219.284	2.525	0	1	BFAF	
CC(C)Cc1cc(C(=O)NC2CCCC2)no1	2498082	JHBBJWFRSZUUPO-UHFFFAOYSA-N	236.315	2.546	0	1	BFAF	
Clc1ccc([C@H]2C[C@H]3CC[C@@H]2NC3)cn1	28455841	JZQKWOHBHFFOKX-IEBDPFPHSA-N	222.719	2.591	0	1	BFAF	
Clc1cccc(C2=C[C@@H]3CC[C@@H](C2)N3)n1	100009528	QUUUMSOCFRUASJ-UWVGGRQHSA-N	220.703	2.643	0	1	BFAF	
CS/C(C)=C/CCc1cccc(=O)o1	238764201	NXBRVEYWEMMPFQ-WEVVVXLNSA-N	210.298	2.839	0	1	BFAF	
Cc1cncc2nc([C@H]3CCCC(=O)CC3)[nH]c12	586883759	DLLKAIKQKDPGBT-JTQLQIEISA-N	243.310	2.883	0	1	BFAF	
Cc1cccc2nc([C@@H](N)c3ccsc3)[nH]c12	587024866	FVEHADJQVBVHDN-NSHDSACASA-N	243.335	2.981	0	1	BFAF	
c1nncc2[nH]c(CC3CCCCCC3)nc12	587960459	JGFOXJVACBMWGD-UHFFFAOYSA-N	230.315	2.866	0	1	BFAF	
CCN1c2ccccc2NC(=O)c2cccnc21	13192	CRAIICFGDIPWGD-UHFFFAOYSA-N	239.278	2.805	0	1	BFAF	
CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc12	26293222	JLIYLESQEZRJMX-GJZGRUSLSA-N	247.338	2.527	0	1	BFAF	
C[C@H]1N[C@H]2c3cccc(N)c3[C@H]1[C@H]1CCC[C@H]12	194847031	FMBYQEIJDWNYNT-SRCFVZSMSA-N	228.339	2.815	0	1	BFAF	
c1ccc2c(c1)CC[C@H]1[C@H](c3cc[nH]n3)[C@H]21	195373701	FIORVGNTSODCHF-MRVWCRGKSA-N	210.280	2.853	0	1	BFAF	
c1cnc(-c2cc3c4c(cccc4n2)CC3)nc1	587212664	PVNRELCRCBKAFR-UHFFFAOYSA-N	233.274	2.790	0	1	BFAF	
CC(C)(C)[C@H](N)c1nc2cncc(Cl)c2[nH]1	587258119	YXIGQUBOIZNMCG-SECBINFHSA-N	238.722	2.657	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccoc1)O2	587413482	RCNIZHRAMGKXOM-ZDUSSCGKSA-N	243.262	2.877	0	1	BFAF	
COc1cc(O)c2ccccc2c1N=O	2356342502	DZTCHAJNDPAYIL-UHFFFAOYSA-N	203.197	2.952	0	1	BFAF	
CC(=O)OCC(=CCl)c1ccc(C)cc1O	2356462644	ZMSKVGSNZITQQL-UHFFFAOYSA-N	240.686	2.843	0	1	BFAF	
CC1(C)[C@H](O)CC[C@]2(C)[C@H](C(=O)O)CCC[C@@H]12	2356645851	GVKOSTDVQZCJJT-KZWBYHQPSA-N	240.343	2.675	0	1	BFAF	
C[C@H](N)Cn1ccc2c1-c1cc(F)ccc1C2	13764854	ZVNLKYKYTUASSW-VIFPVBQESA-N	230.286	2.546	0	1	BFAF	
Cc1ccc([S@](=O)Cc2cccnc2)cc1	27632703	AQCHTWNLOSWZMW-INIZCTEOSA-N	231.320	2.698	0	1	BFAF	
C[C@@]12N[C@@H](Cc3ccc(O)cc31)c1ccccc12	27885530	IQDJALWOLAOJAH-HOTGVXAUSA-N	237.302	2.856	0	1	BFAF	
C[C@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(O)c1)C2	101256389	JKOWKYCFCWDUJV-OSAQELSMSA-N	231.339	2.907	0	1	BFAF	
CC(=O)[C@H](C)C[C@H](C)/C=C/C[C@H](C)C(=O)O	222840077	PRYKRPSKOZIRLZ-OCAXTBMXSA-N	226.316	2.905	0	1	BFAF	
Cc1cc(F)c2[nH]c(-c3csc(O)n3)nc2c1	587017895	PMTFKXWYAMKECS-UHFFFAOYSA-N	249.270	2.840	0	1	BFAF	
N=c1[nH]ccc2nc(/C=C\c3ccsc3)[nH]c12	587025698	MSKOYKOPQZXWCD-UPHRSURJSA-N	242.307	2.602	0	1	BFAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc[nH]1)O2	587397569	XIQLLONGQRUFIC-ZDUSSCGKSA-N	242.278	2.612	0	1	BFAF	
C[C@@H]1C(=O)CC[C@]12NCCc1cccc(Cl)c12	963390183	GNTJDGPAHUGRKQ-OTYXRUKQSA-N	249.741	2.680	0	1	BFAF	
O=C1[C@H](c2ccccc2)[C@@H]2c3ccccc3CCN12	5941591	YVSATFZLGPYTDN-CVEARBPZSA-N	249.313	2.910	0	1	BFAF	
CCCN(CCC)[C@H]1CCc2c[nH]cc2C1	27551682	WYGARRMLDGJGNL-AWEZNQCLSA-N	220.360	2.994	0	1	BFAF	
Cc1nc(Cl)ccc1[C@@H]1C[C@H]2CC[C@@H]1N2	28864752	CEIOZCMVGWULLM-MIMYLULJSA-N	222.719	2.651	0	1	BFAF	
NCCc1ccc(-c2cccc(C(=O)O)c2)cc1	44396459	FGFQWBNBFSTZLM-UHFFFAOYSA-N	241.290	2.553	0	1	BFAF	
CC(C)C1=CC[C@@]2(C)[C@@H](O)CC[C@](C)(O)[C@H]2C1	95485897	SOZSXJHFVBBAOY-XQLPTFJDSA-N	238.371	2.891	0	1	BFAF	biogenic,in-vitro
c1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1	95574311	RSAWVZJBIQEIGU-RYUDHWBXSA-N	201.269	2.980	0	1	BFAF	
NC1CCC(N[C@@H]2C[C@@H]2c2ccccc2F)CC1	149643209	XYAZRGFFUVDRRE-VFDCVBMRSA-N	248.345	2.541	0	1	BFAF	
CC(=O)CC/C=C1/C[C@@H](C=C(C)C)OC1=O	206946483	HAGKOYTUAINBNR-HUMZTAOYSA-N	222.284	2.564	0	1	BFAF	
C[C@@H]1C[C@H](O)[C@@H]2[C@H]1C[C@H]1CC[C@@]2(C)OC1(C)C	256516075	ZADVMZUKWWMSLQ-ITTXBHIMSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
CC(C)[C@]12CC[C@@](C)(O1)[C@@H]1[C@@H](O)C[C@@H](C)[C@H]1C2	257579928	VWQSEENZNJRXDR-PEZGRIKUSA-N	238.371	2.987	0	1	BFAF	endogenous,in-man
C/C(=C\c1cc(-c2ccc(C)nc2)co1)C(N)=O	653740629	HQHXCIHRTOPGNV-WEVVVXLNSA-N	242.278	2.539	0	1	BFAF	
CC1(C)C[C@@H]2C(=O)c3cnccc3[C@](C)(O)[C@H]2C1	2356636296	CCLDZVYWGHUMES-FMSQNYNMSA-N	245.322	2.538	0	1	BFAF	
O=C1C[C@H](O)c2c(Cl)sc(Cl)c21	5851074	IPLHVUWWQLHYTD-REOHCLBHSA-N	223.080	2.675	0	1	BFAF	
CN(C)CCc1c[nH]c2cc3c(cc12)OCCC3	13727655	JLWIAKOXJGKMDU-UHFFFAOYSA-N	244.338	2.597	0	1	BFAF	
C[C@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)C[C@@H](O)[C@@]12C3	14919121	DDUWSZBURGHFEW-VHKOSHJNSA-N	236.355	2.789	0	1	BFAF	
COc1cccc2nc3c(c(N)c12)CCCC3	27413531	PWJTVPPFLKWOLF-UHFFFAOYSA-N	228.295	2.704	0	1	BFAF	
Cc1cccc2[nH]c3c(c12)C[C@@H](N(C)C)CC3	39214049	TZPBUZHOQHUUIU-NSHDSACASA-N	228.339	2.895	0	1	BFAF	
CSc1cc(SC)n2ccncc12	39368524	ORTMLXIECFTGNY-UHFFFAOYSA-N	210.327	2.778	0	1	BFAF	
CCCCNc1nc(N)nc2ccc(F)cc12	205020834	HFEFNYOZNORHRL-UHFFFAOYSA-N	234.278	2.563	0	1	BFAF	
CN1CCC[C@H]2Cc3cc(Cl)c(O)cc3[C@@H]21	299832801	WAIIEGCUZOAHGT-ISVAXAHUSA-N	237.730	2.985	0	1	BFAF	
O=C(O)CCc1sc(-c2ccccc2)nc1O	958045443	XYJCVCSZLPGRSE-UHFFFAOYSA-N	249.291	2.533	0	1	BFAF	
C[C@@H]1C(=O)CC=C2CC[C@@H](C(C)(C)O)C[C@@H]21	2356477941	NBOAZLRJZITJPD-MVWJERBFSA-N	222.328	2.709	0	1	BFAF	
CC1=CC(=O)[C@@H]2[C@H](CC1)C(C)=CC[C@@]2(C)C(=O)O	14709705	DCINKRWBIUZLJK-OSAQELSMSA-N	248.322	2.969	0	1	BFAF	biogenic
S=c1c2c(nc3n1CCCCC3)CCC2	29328400	SPFBTBHTRGUDGL-UHFFFAOYSA-N	220.341	2.828	0	1	BFAF	
COc1ccc(SCCc2c[nH]cn2)cc1	49088845	MFQHSSADNRVZAE-UHFFFAOYSA-N	234.324	2.753	0	1	BFAF	in-vivo
OCc1coc(-c2ccc3ccccc3c2)n1	82086287	OLJCLEZOTMZGMW-UHFFFAOYSA-N	225.247	2.987	0	1	BFAF	
CCCOc1[nH]cnc2c3ccccc3nc1-2	102588354	USDZRWGLZCOUBT-UHFFFAOYSA-N	227.267	2.852	0	1	BFAF	
c1cc2c3c(cc(C[C@@H]4CCOC4)nc3c1)CC2	587215114	BNSIBLZDKRARAQ-NSHDSACASA-N	239.318	2.912	0	1	BFAF	
C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2cnccc2[nH]1	587967854	TZTXPIQQABJUGJ-IVZWLZJFSA-N	211.268	2.638	0	1	BFAF	
C[C@H]1Cc2ccc(Br)c(O)c21	1857755563	DIGZOWJIJASHJI-YFKPBYRVSA-N	213.074	2.814	0	1	BFAF	
CC(C)C1=CC[C@@H]2[C@H](O)CC[C@@](C)(O)[C@@]2(C)C1	2356395262	NHVPAQUFIGPNEZ-APIJFGDWSA-N	238.371	2.891	0	1	BFAF	
CC1(C)CCC[C@]2(C)C(=O)[C@@](C)(O)CC[C@@H]12	2356673517	KXQDMRUVBISRKM-BPNCWPANSA-N	224.344	2.933	0	1	BFAF	
Cc1cccc(Sc2ncnc3nc[nH]c23)c1	1566908	ADDYYCKFGJCXGZ-UHFFFAOYSA-N	242.307	2.813	0	1	BFAF	
CN1C(=O)c2ccc(N)cc2Oc2ccccc21	5852261	CZZGORKQTZTMQY-UHFFFAOYSA-N	240.262	2.651	0	1	BFAF	
CCCOn1c(CC)nc2ccc(C)cc21	5883293	JORHVVUERQRYBS-UHFFFAOYSA-N	218.300	2.746	0	1	BFAF	
O=C1C[C@@H](CN2CCCCC2)Oc2ccccc21	40585161	IHFQHPJHQFQVLX-LBPRGKRZSA-N	245.322	2.506	0	1	BFAF	
Clc1nc2cncnc2n1[C@@H]1C[C@H]2CC[C@@H]1C2	72108930	YKWZCADBCGWZIZ-QXFUBDJGSA-N	248.717	2.841	0	1	BFAF	
Cc1ccc([C@H](C2COC(C)OC2)N(C)C)cc1	169323020	XNNJRYYVNYMYDR-PESDSKBTSA-N	249.354	2.607	0	1	BFAF	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@@H]1N2C	169364191	IXBQQRJVGUUKAO-XUWVNRHRSA-N	243.350	2.842	0	1	BFAF	
C[C@@H]1[C@H]2C[C@H]([C@@H](CN(C)C)[C@@H]2N=O)C1(C)C	169691339	ALIWULSNWCSCKU-LZQZFOIKSA-N	224.348	2.611	0	1	BFAF	
Clc1ncc(-c2nc3cccnc3[nH]2)s1	587022915	FBXNWBXCIQGARZ-UHFFFAOYSA-N	236.687	2.735	0	1	BFAF	
c1cc2c3c(cc([C@H]4CCOC4)nc3c1)CC2	587215951	QDCDDGFHXZKJPR-LBPRGKRZSA-N	225.291	2.837	0	1	BFAF	
C[C@@H]1CC=CC[C@H]1c1nc2cc(N)c(N)cc2[nH]1	587967592	QGWIKHUUQAOOGQ-RKDXNWHRSA-N	242.326	2.797	0	1	BFAF	
CC1=CC2=CC(C)(C)C[C@@]2(O)[C@@](C)(O)C12CC2	653784993	QBVVHCHYSZWSDG-ZFWWWQNUSA-N	234.339	2.565	0	1	BFAF	
c1cc(C2CCC2)c2c(c1)N1CCNC[C@@H]1CC2	1772592565	LYHDDVLVUMAKEC-ZDUSSCGKSA-N	242.366	2.679	0	1	BFAF	
NC(=S)c1cccc(-c2ccc(O)c(F)c2)c1	1857583990	BTDNIKVKZXRKGV-UHFFFAOYSA-N	247.294	2.833	0	1	BFAF	
C/C(=C/C(N)=O)c1ccc(Cl)cc1Cl	1857586351	KOMZXTHKMQWALD-XQRVVYSFSA-N	230.094	2.882	0	1	BFAF	
NC(=S)c1ccc(F)c(-c2ccc(O)cc2)c1	1857614206	FIYWLCFEEYWDBF-UHFFFAOYSA-N	247.294	2.833	0	1	BFAF	
CC1=CCC[C@@H]2[C@@H]1[C@](C)(CO)CCC[C@]2(C)O	2356577465	FFRRKJRZQUGBSK-KBXIAJHMSA-N	238.371	2.892	0	1	BFAF	
CC1=CC[C@]2(CC1)[C@H](C)[C@@H](O)C[C@H]2C(C)(C)O	2356789205	DAAXYWYGVVILBO-OSFYFWSMSA-N	238.371	2.891	0	1	BFAF	
CN1CCCO[C@H](c2ccc(Cl)cc2)O1	1647675	VBEINFJIRJNJDV-NSHDSACASA-N	227.691	2.622	0	1	BFAF	
C[C@H]1C[C@@H](CN(C)C)C(=O)c2ccccc21	2009251	BMYUJTNCCMBFCL-QWRGUYRKSA-N	217.312	2.554	0	1	BFAF	
CCOc1nc2scc(C(C)C)c2c(=O)o1	13779496	KNOQJYDLTDPLQU-UHFFFAOYSA-N	239.296	2.772	0	1	BFAF	
c1ccc2c(c1)CC1Cc3ccccc3C2N1	27890148	JBCUWCNTVNSEPX-UHFFFAOYSA-N	221.303	2.846	0	1	BFAF	
C[C@]1(N2CCCCC2)C(=O)CCc2ccccc21	28769696	WOWPCXAIDIFCJS-MRXNPFEDSA-N	243.350	2.903	0	1	BFAF	
c1ccc2c(c1)[C@H]1C[C@@]1(c1c[nH]cn1)C21CC1	33961969	FYLKUCQQWYKEOG-IUODEOHRSA-N	222.291	2.880	0	1	BFAF	
CC(C)C[C@H](N)[P@@](=O)(O)Oc1ccccc1	49793958	OHFJDOMHHDRJIU-LLVKDONJSA-N	243.243	2.582	0	1	BFAF	
NCCSCCc1c[nH]c2c(F)cccc12	95601794	AZYZYLIFKWPXDQ-UHFFFAOYSA-N	238.331	2.541	0	1	BFAF	
CC1(C)CCC[C@]2(C)[C@H](O)C(C(=O)O)=CC[C@@H]12	139723558	KXOPTVPGIPZBEN-WDMOLILDSA-N	238.327	2.595	0	1	BFAF	
NC1=N[C@@H](c2ccc(Cl)cc2C2CC2)CO1	169698894	OHEHXHSMXPWYQM-LLVKDONJSA-N	236.702	2.603	0	1	BFAF	
C[C@@H]1C(=O)CC=C2CC[C@H](C(C)(C)O)C[C@H]21	2356477940	NBOAZLRJZITJPD-DLOVCJGASA-N	222.328	2.709	0	1	BFAF	
Cc1cc2c(cc1O)[C@@H](C)[C@@H](C=CC(C)(C)O)O2	2356781323	IFUZUQKJCKPEIC-ZWNOBZJWSA-N	248.322	2.892	0	1	BFAF	
COc1ccccc1-c1cc2nccnc2[nH]1	13492944	GPBWBXKELCXCMJ-UHFFFAOYSA-N	225.251	2.634	0	1	BFAF	
Clc1ccc2c(n1)CC[C@H]1[C@@H]3CC[C@@H](N3)[C@@H]21	13493587	YFIIBDQLLAQNAF-OVLVYRFBSA-N	234.730	2.515	0	1	BFAF	
Fc1ccc2c([C@@H]3CNCC[C@H]3F)c[nH]c2c1	13862742	HGYQATXPDPUIQH-NWDGAFQWSA-N	236.265	2.722	0	1	BFAF	
CC1=C[C@H](O)[C@H](O)[C@]2(C)CC[C@H](C(C)C)C=C12	15206292	UNJJBVJUBFDZLZ-CYUUQNCZSA-N	236.355	2.667	0	1	BFAF	biogenic
CCC[n+]1cccc2c1CC[C@H]1CC[C@@H](O)C[C@H]21	26261751	ZXASUIFTYKJPOW-NFAWXSAZSA-N	246.374	2.575	0	1	BFAF	
CCCN1CCC=C2c3cccc(O)c3OC[C@H]21	27851586	OFJPBUNBLOUSKK-CYBMUJFWSA-N	245.322	2.652	0	1	BFAF	
COc1ccc2c(c1)NC(=O)NC21CCCCC1	28374031	OKCSKQKAAJYGQA-UHFFFAOYSA-N	246.310	2.990	0	1	BFAF	
Nc1ccc2c(c1)[C@H]1CN[C@@H](C2)c2ccccc21	29569341	PKQWOQOLRMDAHZ-HOTGVXAUSA-N	236.318	2.601	0	1	BFAF	
O=C1CSc2cc(-c3cccnc3)ccc2N1	40860032	QVFBOIKMDDLOQP-UHFFFAOYSA-N	242.303	2.793	0	1	BFAF	in-vivo
Cc1ccc(-n2cnc3ccc(O)nc32)cc1C	118265547	LPRJBGHEHJVQRA-UHFFFAOYSA-N	239.278	2.743	0	1	BFAF	
CC1=C[C@H]2[C@H](C(C)C)[C@H](O)C[C@@](C)(O)[C@@H]2CC1	238767317	NABFWTUELQMMDP-ARILJUKYSA-N	238.371	2.747	0	1	BFAF	
CCOC(=O)[C@@H]1C[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C1	653670285	MOGRTXHBIPWFGN-PZWNZHSQSA-N	208.301	2.622	0	1	BFAF	
Cc1ncc(CN[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)[nH]1	653799421	UPHLJVIJUKACGM-QEGRKFQGSA-N	247.386	2.878	0	1	BFAF	
COc1ccc([C@H](C)O)cc1C(=O)CC(C)C	2356681564	YHYRBUCCRJARNJ-JTQLQIEISA-N	236.311	2.977	0	1	BFAF	
Cc1cc(N2CCc3ccccc3C2)cc(N)n1	13489846	KZFAWZANSXHSCN-UHFFFAOYSA-N	239.322	2.535	0	1	BFAF	
CCCC[C@H](CC)n1cnc2c(N)ncnc21	45256052	QMACLGXXJKFGPH-VIFPVBQESA-N	233.319	2.550	0	1	BFAF	
CC[C@@]12C[C@H]3C[C@H](c4ccc(O)cc41)[C@@H](C2)N3	299849599	NKNVJTXLIOQWTQ-VHIFSBLJSA-N	229.323	2.662	0	1	BFAF	
CCCN[C@@H]1CCc2ccc(O)cc2C1(C)C	13583884	PVOSVYGOADCZBI-CQSZACIVSA-N	233.355	2.984	0	1	BFAF	
CN(C)CCCC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2O	102250625	JMTAZGPHOXWMLV-ZHLCCONPSA-N	237.387	2.515	0	1	BFAF	
COCCCc1cc2c3c(cccc3n1)CC2	587211444	GNRJPBFHXCHSOF-UHFFFAOYSA-N	227.307	2.912	0	1	BFAF	
CCC=C(C)c1ccc([C@H](C)O)c(=O)o1	2356326261	VSEOEXSPCMUHTQ-VIFPVBQESA-N	208.257	2.506	0	1	BFAF	
c1ccc(CSc2nc3ncccc3o2)nc1	6915423	FCARJQUETKEBKL-UHFFFAOYSA-N	243.291	2.910	0	1	BFAF	
CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(F)cc12	13673561	QZFLFWOTDWFGFO-KOLCDFICSA-N	232.302	2.972	0	1	BFAF	
Cc1n[nH]cc1CN1CCC[C@H]1c1nccs1	20209495	DUCNQFQAJDIYPE-NSHDSACASA-N	248.355	2.512	0	1	BFAF	
CCCN1Cc2cc(OC)ccc2C[C@@H](C)C1=O	71296090	CYANSHQDJQAADI-LLVKDONJSA-N	247.338	2.626	0	1	BFAF	
C[C@@H]1CC[C@]2(O)[C@@H](C1=O)C(C)(C)C[C@H]1C[C@]12C	231211357	ARIMXCACVHKASK-VDPPQRJLSA-N	236.355	2.789	0	1	BFAF	
CC(=O)CC[C@@H]1[C@H](C)CC(=O)CC1(C)C	238761996	OMYHSWJSASVYAR-BXKDBHETSA-N	210.317	2.997	0	1	BFAF	
Fc1ccc2nc(COC(F)(F)F)[nH]c2c1	587126101	VFNMMDRGCMQVJI-UHFFFAOYSA-N	234.152	2.738	0	1	BFAF	
Cc1ccc(C)c([C@@]2(O)C[C@@H](C)N(C)C[C@H]2C)c1	13718494	SPCLRIAZWZKWNU-IIAWOOMASA-N	247.382	2.851	0	1	BFAF	
CC(=O)Oc1cccc2cccc(OC(C)=O)c12	14612244	ODPOHJGQBBQWND-UHFFFAOYSA-N	244.246	2.690	0	1	BFAF	biogenic
C[C@@H]1C[C@@H]2O[C@@]23C(C)(C)CC=C[C@@]3(C)O1	15169234	WPEIOHUPCRPKNT-LYIQGSDWSA-N	208.301	2.678	0	1	BFAF	biogenic
N[C@H](C/C=C/c1ccccc1)CCc1c[nH]cn1	29406805	UCUSOHOVXUOPEU-BTKRWWFXSA-N	241.338	2.773	0	1	BFAF	
COc1ccc2c(c1)CCC[C@@H]2OC(C)=O	34079586	RRRLBOAFPIYXRF-ZDUSSCGKSA-N	220.268	2.636	0	1	BFAF	
C[C@H]1[C@H](O)CC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	85757325	XALRSJNOMCWQJW-FTQJZPFOSA-N	240.387	2.971	0	1	BFAF	in-man
C/C=C(\C)COc1ccc(CCO)cc1	238755557	HOGUCXKKVUVUQS-QDEBKDIKSA-N	206.285	2.566	0	1	BFAF	
CSC(=S)/C=C(\O)c1cccc(O)c1	584904746	MOMLKGNSDNGKFJ-TWGQIWQCSA-N	226.322	2.982	0	1	BFAF	in-vitro
C=Cc1ncc2ncn(Cc3ccccc3)c2n1	5853283	UOYKERPOCOYHKE-UHFFFAOYSA-N	236.278	2.518	0	1	BFAF	
O=C(/C=C1\CCc2c(Cl)cccc21)NC1CC1	27329326	XGORICSMZUZBOI-CMDGGOBGSA-N	247.725	2.948	0	1	BFAF	
Oc1c(-c2ccc(Cl)cc2)nc2cnccn12	27721297	UIWITIXRBIZTPL-UHFFFAOYSA-N	245.669	2.755	0	1	BFAF	
c1ccc(C[C@@H]2CN3CCC2CC3)cc1	37623993	YWLRVKNQQQOFJH-CQSZACIVSA-N	201.313	2.571	0	1	BFAF	
CN1CC[C@]2(c3cccc(O)c3)CCC[C@@H]1C2	100639563	ZQJGRSYDDMBMPJ-UKRRQHHQSA-N	231.339	2.908	0	1	BFAF	
Cc1nc(Cl)ccc1[C@@H]1C[C@H]2CC[C@H]1N2	253848945	CEIOZCMVGWULLM-DVVUODLYSA-N	222.719	2.651	0	1	BFAF	in-vivo
CC[C@]1(C)C[C@H]1c1nc2c(Cl)ncnc2[nH]1	586889675	MJZWEZRCTSOUFW-UPONEAKYSA-N	236.706	2.910	0	1	BFAF	
CC(C)C[C@H](O)c1nc2ccnc(Cl)c2[nH]1	586901503	QWXJZXFPGYJPAP-QMMMGPOBSA-N	239.706	2.691	0	1	BFAF	
CNc1nc2ccc(C)cc2n2c(C)cnc12	653739711	AEETWJKHMFNAPE-UHFFFAOYSA-N	226.283	2.541	0	1	BFAF	
C[S@](=O)(=NC(F)(F)F)c1ccccc1	1857607179	IWJHLEVMUAMSBY-CQSZACIVSA-N	223.219	2.663	0	1	BFAF	
CC1=C2[C@H]3O[C@@]2(C[C@@H]2CCC[C@@H](C)[C@]23C)OC1=O	2356544085	BXSYDOYJFXURHI-SLGFJQRASA-N	248.322	2.801	0	1	BFAF	
CCNc1cc(-c2cccc(C(C)=O)c2)ncn1	82162348	FYTOTUBDFFIZNR-UHFFFAOYSA-N	241.294	2.778	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@](C)(O)[C@@H]2C1	85491749	FNMDHMSGEIODFP-KBXIAJHMSA-N	238.371	2.891	0	1	BFAF	endogenous,in-man
Cc1nc2c(-c3ccccc3)[nH]c(C)c2c(=O)o1	1857070	ABOYUJYHSRKRAH-UHFFFAOYSA-N	240.262	2.800	0	1	BFAF	
Cc1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1	28823442	HLPLHWNYVYRUFE-SDQBBNPISA-N	240.262	2.521	0	1	BFAF	
Cc1ccc2c(c1)OCCn1cc(C)nc1-2	96928373	VXFPBEUQDVAYIZ-UHFFFAOYSA-N	214.268	2.559	0	1	BFAF	
Clc1ccc(C2=C[C@@H]3CNC[C@@H](C2)C3)cn1	101576794	QCSSDCOJCQOKNU-NXEZZACHSA-N	234.730	2.748	0	1	BFAF	
CCOC/C=C/c1ccc(OC)c(OC)c1	238732468	MUDMWQINEVWPNY-AATRIKPKSA-N	222.284	2.754	0	1	BFAF	
C/C=C\C=C\CCc1c(O)ccc(O)c1CO	238789173	BLJACAZTWNHFLF-AWYLAFAOSA-N	234.295	2.655	0	1	BFAF	
CC[C@H]1OCCC[C@@H]1c1nc2c(C)nccc2[nH]1	586909384	DWPQHCPIJOOJIN-CMPLNLGQSA-N	245.326	2.939	0	1	BFAF	
CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2	587873789	MNMBFJHOYZEIHW-UHFFFAOYSA-N	232.214	2.845	0	1	BFAF	
CC1=C2c3cc(O)c(C)cc3[C@@H](C)C[C@H]2OC1=O	15273825	JNBSQRJGTJOEJS-WPPNPWJKSA-N	244.290	2.907	0	1	BFAF	biogenic
Cc1c(F)ccc2nc([C@H]3CCOC3)[nH]c12	586912908	XTJSDMWWMVBHGX-QMMMGPOBSA-N	220.247	2.514	0	1	BFAF	
C/C(=C\C(N)=O)c1ccc(Cl)cc1Cl	1857619327	KOMZXTHKMQWALD-GQCTYLIASA-N	230.094	2.882	0	1	BFAF	
Cc1cccc(NN2C(S)=N[C@H](C)[C@@H]2C)c1	29327952	WKKUIGXNOHDZNU-ZJUUUORDSA-N	235.356	2.700	0	1	BFAF	
Cc1c(O)ccc2c1CC[C@]1(C)[C@H](O)CC[C@H]21	29483211	JCOCQDKHVDAJMG-YUELXQCFSA-N	232.323	2.891	0	1	BFAF	
N#CN1CCC[C@@H](CCc2ccccc2)C1	66073720	DGBNMHOKWPUFOV-AWEZNQCLSA-N	214.312	2.812	0	1	BFAF	
S=C1Sc2ccccc2C2=NCCCN12	138122840	NPBNYYVWCOBLJR-UHFFFAOYSA-N	234.349	2.530	0	1	BFAF	
Cc1c(F)ccc2[nH]c(/C=C/C=C\C(=O)O)nc12	587969520	UMDIVFYNXZBXKS-HZDAAVBUSA-N	246.241	2.664	0	1	BFAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC[C@H](O)[C@@H]2C1	2356747565	DSIAMBWSIUQISV-MQYQWHSLSA-N	224.344	2.501	0	1	BFAF	
C[C@@]12CCC(=O)N1c1cc(Cl)ccc1N2	1627940	VOBJZTFKYMSUEI-NSHDSACASA-N	222.675	2.609	0	1	BFAF	
CCCC[C@@H]1[C@@H](O)CCC[C@@]12CCCCN2	5821944	YJEQGBHTTODACM-RDBSUJKOSA-N	225.376	2.850	0	1	BFAF	
Cc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)C2	13764859	SODYJZFWKMYTAY-NSHDSACASA-N	226.323	2.715	0	1	BFAF	
Oc1ccccc1OCCNCc1ccccc1	26750210	VNAZBTWTBGIYND-UHFFFAOYSA-N	243.306	2.561	0	1	BFAF	
CCNc1nc2c3ccccc3nc-2c(O)s1	101257487	VCXCKWRKTQHKNR-UHFFFAOYSA-N	245.307	2.934	0	1	BFAF	
CN(C1=NC(=O)C(C)(C)S1)c1ccccc1	103168435	SGDADHBXQGPSRS-UHFFFAOYSA-N	234.324	2.531	0	1	BFAF	
CSc1ccc(OC(=S)N(C)C)cc1	103172876	LUAMMWNWVCAWJT-UHFFFAOYSA-N	227.354	2.634	0	1	BFAF	
CC[C@@H]1N(c2ccc(OC)cc2)C(=O)C1(C)C	169324242	SXOSNNLXSHSMBZ-LBPRGKRZSA-N	233.311	2.847	0	1	BFAF	
Cc1cc2nc(CCOCC3CC3)[nH]c2cc1F	587783273	LPNNLJBGUKUEJG-UHFFFAOYSA-N	248.301	2.980	0	1	BFAF	
CN1CCCC(=O)c2[nH]c3ccccc3c2C1	1857607245	DHLAQXINMWJSKB-UHFFFAOYSA-N	228.295	2.576	0	1	BFAF	
CC(C)C1=CC[C@@H]2[C@H](O)CC[C@](C)(O)[C@@]2(C)C1	2356395264	NHVPAQUFIGPNEZ-KBXIAJHMSA-N	238.371	2.891	0	1	BFAF	
CCCNC(C)(C)P(=O)(OCC)OCC	80300554	BMNVJYREIYOUJO-UHFFFAOYSA-N	237.280	2.988	0	1	BFAF	
C[C@H]1CC[C@H]2[C@H]1C[C@]1([C@@H](C)CO)CC[C@]2(C)O1	101688496	QDCOGXJHEDTDOW-LZXPERKUSA-N	238.371	2.989	0	1	BFAF	
CC1=C[C@@]2(C[C@@H]1O)[C@H]1OC[C@@H](C)[C@H]1CC[C@H]2C	2356695461	IAEABCWVVYXBSR-JNWWKETESA-N	236.355	2.765	0	1	BFAF	
O=C1Oc2ccccc2C12Cc1ccccc1C2	34146924	SUEWLKRADIQWGS-UHFFFAOYSA-N	236.270	2.642	0	1	BFAF	
Clc1ccc2nc(-c3ccn[nH]3)oc2c1	138747571	FUVXQEJXXAPQHS-UHFFFAOYSA-N	219.631	2.871	0	1	BFAF	
COc1coc2cc3oc(=O)ccc3cc12	196593310	ZRSSNKQAHFVTPW-UHFFFAOYSA-N	216.192	2.548	0	1	BFAF	
COc1ccc(C)cc1/C(O)=C\[n+]1ccccc1	238758801	QOMNXYYTARITGR-SDNWHVSQSA-O	242.298	2.805	0	1	BFAF	
Fc1ccccc1-c1cccc2ncnn12	1239555842	XGLNWMILUAPIFX-UHFFFAOYSA-N	213.215	2.535	0	1	BFAF	
CN1c2ccncc2Sc2ncccc21	1857750231	WJQXZICPJLREOT-UHFFFAOYSA-N	215.281	2.709	0	1	BFAF	
C[C@@H]1Oc2nc3ccccc3c(O)c2C1(C)C	2356414327	TVKLXHLVUCZTKH-QMMMGPOBSA-N	229.279	2.999	0	1	BFAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@@H]([C@@](C)(O)CO)CC1	2356717319	OUYSUIFFVMUYNC-JURCDPSOSA-N	238.371	2.892	0	1	BFAF	
Fc1ccc2c(c1)CC[C@@H]1N=C3SCCN3[C@H]21	28768695	XPMOYSXNDWOZFZ-NWDGAFQWSA-N	248.326	2.600	0	1	BFAF	
CO[P@]1(=O)C[C@H]2C(Cl)(Cl)[C@]2(C)C1	105478434	QRKRKVKQGRLRPQ-IJESPZCISA-N	229.043	2.735	0	1	BFAF	
CN1CC2(CCCCC2)[C@@H](O)[C@@]12C=CCCC2	254111175	BSGLKPBTNUWHAD-HIFRSBDPSA-N	235.371	2.722	0	1	BFAF	
Clc1c[nH]c2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc-2n1	587966443	FZGJAWIFMSNRSC-XLPZGREQSA-N	246.701	2.638	0	1	BFAF	
Oc1ccccc1C1=N[C@@H]2CCC[C@@H]2S1	1857639691	NPXMBXRWSICWRV-KOLCDFICSA-N	219.309	2.807	0	1	BFAF