smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC/C(=N/NC(N)=O)c1ccccc1Oc1ccc(Br)cc1	27314116	GEIJWQNEBYTWIT-RGEXLXHISA-N	362.227	4.024	50	1	FIGF	
C=C(c1ccccc1)[C@@H]1COC2(CCC(O)(c3ccccc3)CC2)OO1	43491132	FHSHXRQVWQCBSN-HWELCPFYSA-N	352.430	4.205	50	1	FIGF	
N#Cc1ccc2c(C(=O)[C@@H](Br)Cc3ccccc3)coc2c1	587278093	DFMCXEBWIXMNTP-INIZCTEOSA-N	354.203	4.493	50	1	FIGF	
C=C(C)C[C@@H](OO)c1c(OC)ccc(C(=O)C=Cc2ccc(O)cc2)c1O	2356594613	DYPZZHZYUZHEFW-LJQANCHMSA-N	370.401	4.499	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC1	13386323	RTCKDHVITUSVDJ-GCLMUHHRSA-N	358.950	4.031	50	1	FIGF	biogenic
C=C(C(=O)OCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	73296468	KUNIPSCCVPENGG-GLQYFDAESA-N	369.299	4.213	50	1	FIGF	
C=C(C)[C@H](CCC1=CC[C@H](C(C)=CCCC(C)=CCO)OC1=O)OO	2356470992	NMQLFTCNCGSJQX-RBUKOAKNSA-N	350.455	4.108	50	1	FIGF	
N/C(=N\c1ccc(NC(=O)C[C@H]2CCSS2)cc1)c1cccs1	13441940	ZFXSGMFTRMVFCX-CYBMUJFWSA-N	363.533	4.267	50	1	FIGF	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1	33293697	HSDFDMSYAUCFSY-MTJSOVHGSA-N	359.341	4.258	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CCBr)cc1)O2	587371448	DULRBKSOCNGHMF-LJQANCHMSA-N	374.278	4.395	50	1	FIGF	
Cc1ccc(/C=C(\C#N)c2nc3c(F)cnc(Br)c3[nH]2)cc1	587187923	NDXQOUKNKRFRIG-IZZDOVSWSA-N	357.186	4.232	50	1	FIGF	
CN1CCc2c(Br)cccc2[C@]1(CBr)CC1CC1	963279880	KMLTZRBSYASUKM-OAHLLOKOSA-N	373.132	4.327	50	1	FIGF	
CC1(C)CC(/C=C/c2ccc(N3CCNCC3)cc2)=CC(=C(C#N)C#N)C1	1857546540	LTKHLPSXXHOJPT-ONEGZZNKSA-N	358.489	4.200	50	1	FIGF	
CC(=O)O[C@@H]1CC=C(C=O)[C@@]2(C=O)[C@H]([C@@H](C)CCC=C(C)C)CC[C@@]12C	238783392	BLWONUNUDGLKHV-SSCXBUAASA-N	360.494	4.431	50	1	FIGF	
N#CC1=COc2ccc(F)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	587509332	RGTXMDAKFXHXOP-QFIPXVFZSA-N	361.372	4.365	50	1	FIGF	
N#CC(C#N)=C1C[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc21	963112384	SKGALYZKSZOURM-FDDCHVKYSA-N	355.416	4.294	50	1	FIGF	
Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)c(O)c3[nH]2)cc1	587187795	KWSRQTZCGOJXNN-WQLSENKSSA-N	354.207	4.404	50	1	FIGF	
Cc1c(C(=O)N/N=C\c2ccccc2C(F)(F)F)oc2cccc(O)c12	1911584965	WQIATQUIEIBTDF-AFPJDJCSSA-N	362.307	4.230	50	1	FIGF	
C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@H](Br)[C@@H]3O)[C@@H]21	13651527	ZHJMBYOGCJWPTK-HEKUSSOCSA-N	365.311	4.229	50	1	FIGF	
O=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2nc1-c1ccccc1	40867243	NCGNCBAPVXIOMM-ZVHZXABRSA-N	370.387	4.200	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Cl)s1)[C@@H](C2)C3=O	587452626	RTSQDBKAIXFLOS-QFYYESIMSA-N	355.242	4.292	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccccc1Cc1noc(CCl)n1	587901575	JGJPVRMZJRGRER-UHFFFAOYSA-N	373.239	4.461	50	1	FIGF	
CN(C)c1ccc(Nc2ccc(C(=O)C(Cl)Cl)cc2[N+](=O)[O-])cc1	2382234132	JLOJPVJZBJUUFD-UHFFFAOYSA-N	368.220	4.391	50	1	FIGF	
CC/C=C/C=C/[C@@H]1C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102182854	RLEJYTIPIQLNLV-KTXHEBPGSA-N	356.459	4.360	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](Br)C[C@@H]12	118917888	LQLVHJDLPXFYPF-RBRZPYPVSA-N	371.359	4.124	50	3	FIGF	
C[C@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	169319289	LIEYBQHAGMYZMJ-FPSGSIFCSA-N	372.461	4.008	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2cccc(I)c2[nH]1	587188228	OLCAGKWINQITEK-XFXZXTDPSA-N	371.181	4.232	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@H](C)Cl)[C@@H](C2)C3=O	587418219	SSTYJPDPOBSYTF-WHECPESLSA-N	368.860	4.454	50	1	FIGF	
C[C@]12CC[C@@H]3c4ccc(O[P@](C)(O)=S)cc4CC[C@H]3[C@@H]1CCC2=O	13600846	OPFKWSWJXPDBJS-KTDVSAEISA-N	364.447	4.422	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)O2	587373049	PFQQYONQPWSPPK-FKIZINRSSA-N	372.852	4.024	50	1	FIGF	
C=CCSS/C=C\C[S@](=O)CCCOCc1ccc(OC)cc1	40972405	SGBAPABFOROMHC-PAGIRXCJSA-N	372.577	4.432	50	1	FIGF	
O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(CCl)cc3)cc2)S1	45335497	VRGDAOVHIVTSOT-SXGWCWSVSA-N	359.834	4.328	50	1	FIGF	
Fc1c(Br)cc2nc(/C=C/CBr)[nH]c2c1F	586973002	DXLBHOMONRFLOF-OWOJBTEDSA-N	351.976	4.012	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H](C)Br)CC2=O	587456538	QLBQDWAMXOYGKI-DYZYQPBXSA-N	353.256	4.242	50	1	FIGF	
[C-]#[N+]CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587884191	HUOQNQZFRBIPRR-UHFFFAOYSA-N	371.267	4.166	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)NCCCl)c1	587905108	LAYIDDDNNDRINK-UHFFFAOYSA-N	363.244	4.109	50	1	FIGF	
CC(C)(C[C@H](Br)CC(Cl)(Cl)Cl)C1OCCO1	32219550	LGEDTAQVQMEESC-ZETCQYMHSA-N	354.499	4.299	50	1	FIGF	biogenic,in-vitro
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@]12C=C1C=C(O)C(=O)C(C=O)=C1O2	34136274	XVRIRQMQGOSIKV-VPFQVGRTSA-N	356.462	4.422	50	1	FIGF	
CC(=O)O[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC2=C1C=O)C(=O)C[C@@H]3C(C)C	85834908	ARPMJUSHFPKJRY-DHWLSRIRSA-N	358.478	4.185	50	1	FIGF	biogenic
COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O	587421905	OEAKXEGABIRNQX-YCRPNKLZSA-N	367.832	4.367	50	1	FIGF	
Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)s1	149718264	MHODWNUDQWRHKJ-LZYBPNLTSA-N	352.257	4.283	50	1	FIGF	
COC(=O)C[C@]1(O)OO[C@@](C)(C/C(C)=C/C=C/Cc2ccccc2)C[C@H]1C	49785788	PESDEPYQNDJMMX-LFQHVUPGSA-N	374.477	4.120	50	1	FIGF	
CCOC(=O)CC[C@]1(CCl)NCCc2cc(-c3ccccc3)ccc21	962663909	HDOYDCLSUVFDFC-OAQYLSRUSA-N	357.881	4.277	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	169319287	LIEYBQHAGMYZMJ-YAALWGTCSA-N	372.461	4.008	50	1	FIGF	
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C[C@@H](O)c1cocn1	195138883	YKNPNFYNBWRADV-MIGQKNRLSA-N	371.550	4.029	50	1	FIGF	
FC(F)(F)Oc1cc(Br)c2[nH]c(CBr)nc2c1	586972023	CDLXDUGPLVSADP-UHFFFAOYSA-N	373.954	4.119	50	1	FIGF	
CCC(=O)Nc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(SC)cc2)cc1	1660515	IMSWXABTJYOLJD-ZWKOTPCHSA-N	374.893	4.452	50	1	FIGF	
CCCNc1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccccc1	13589888	FVIKFBIXNDQJFF-AWEZNQCLSA-N	361.902	4.350	50	1	FIGF	
C#C/C=C\C[C@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@H](CC)OC)O1	59151555	ASFVDGVLCUHZLD-DJZCCMMPSA-N	361.707	4.076	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	14128409	SHZUNUYDQNHQJR-USQNQNMXSA-N	360.450	4.273	50	1	FIGF	
COc1c(Cl)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@H](OC)[C@H]2Cl	1857637988	QTISQBZFCNUZBT-ZUZCIYMTSA-N	363.237	4.026	50	1	FIGF	
N#C/C(=C\c1cn(Cc2ccc(F)c(F)c2)c2cc(F)ccc12)C(=O)O	2382216067	QOJIJVSYADFCHN-WUXMJOGZSA-N	356.303	4.098	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C)cc1)[C@@H](C2)C3=O	587414102	SCHARPULSNNLKE-HNAYVOBHSA-N	373.246	4.041	50	1	FIGF	
COC1=C(C)C(=O)[C@]2(C)[C@H](C(C)=CCC(C)C)[C@@]3(C)C=C(C)[C@@]2(OO3)O1	2356835342	KRALJWCFVVBXCG-DBOLQNLKSA-N	362.466	4.455	50	1	FIGF	
Clc1cc(Br)cc2nc(/C=C/CBr)[nH]c12	586972632	XYYQOFVBALBHEH-OWOJBTEDSA-N	350.441	4.387	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)([C@H](C)Cl)[C@@H](C2)C3=O	587426168	MENVBCOYMPCFEB-GDZFADEHSA-N	364.775	4.244	50	1	FIGF	
Clc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1	586972385	OVUISXAEVOHSCD-OWOJBTEDSA-N	350.441	4.387	50	1	FIGF	
CC(C)Cc1nn(-c2cccc(F)c2)cc1C(=O)NNc1ccc(F)cc1	1772580063	OULILSOSAWDMBT-UHFFFAOYSA-N	370.403	4.106	50	1	FIGF	
Cc1ccc(C(=O)NNC(=S)Nc2csc(-c3ccccc3)c2)cc1	169350475	YPMNUJVMIJULQA-UHFFFAOYSA-N	367.499	4.355	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)O2	587373050	PFQQYONQPWSPPK-MPBGBICISA-N	372.852	4.024	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](C)Br)O2	587412106	HEIYDWSGYCOYIZ-HWPZZCPQSA-N	366.280	4.283	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@@](CCl)(CCCl)[C@@H]1c1ccc(F)cc1	587327372	PTVRPYRBKAOPBS-SJLPKXTDSA-N	369.219	4.497	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=C(C#N)C#N)c2ccccc21	587469278	MRANRVDKZFZZFG-QHCPKHFHSA-N	370.408	4.410	50	1	FIGF	
C[C@H](Br)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587669087	AIRVQJQFURJCSU-UJVNDKKSSA-N	365.084	4.121	50	1	FIGF	
Cc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1	587375411	RWYPBZCMVSLCSR-IBGZPJMESA-N	374.278	4.450	50	1	FIGF	
CC(C)(F)[C@H](Br)c1nc2ccc(Br)c(O)c2[nH]1	587086661	GANZCCSJTLCSEO-SECBINFHSA-N	366.028	4.215	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)c1ccccc1)O2	587371767	FZAYFVAGFREUEO-ZWKOTPCHSA-N	360.251	4.437	50	1	FIGF	
Cc1cccc2c3c([nH]c12)C(=C(/C#N)C(N)=O)/C(=C/c1ccccc1)CC3	1857667892	CIJXDBITKJSUMZ-DSJJYHEDSA-N	353.425	4.269	50	1	FIGF	
CN(c1ccc(-c2csc(C(C#N)=C3CCCC3)n2)cc1)S(C)(=O)=O	8209906	XFFNSWCGJRSJCL-UHFFFAOYSA-N	373.503	4.057	50	1	FIGF	
CCCCC/C=C/C[C@H]1/C(=C/[C@@H](CCCC(=O)O)OO)[C@@H]2C[C@@H]1OO2	102182800	RMDWPORTSLRMPB-JQZDLHPISA-N	354.443	4.271	50	1	FIGF	
CC(=O)c1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1	103176790	ZGTOBXPHEGBCOS-UHFFFAOYSA-N	372.852	4.128	50	1	FIGF	
O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)ccc21	586907708	NYZPUDNGIZKPPR-UHFFFAOYSA-N	366.682	4.213	50	1	FIGF	
COC(=O)c1cccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12	586974516	XGJHWTJEBBZKLE-LLVKDONJSA-N	373.250	4.396	50	1	FIGF	
CCCc1ccc([C@@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1	963023350	JUKLDKJPDOFRJB-KSFYIVLOSA-N	368.908	4.175	50	1	FIGF	
O=C1[C@@H](Cl)[C@@H](c2cccs2)N1Nc1ccnc2cc(Cl)ccc12	1772655318	SPCJXCMYZOYJQX-LSDHHAIUSA-N	364.257	4.468	50	1	FIGF	
N#CC1=C(N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1	6041289	PRCKAOQISITRQL-IBGZPJMESA-N	359.385	4.150	50	1	FIGF	
CC(=O)O[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC2=C1C=O)C(=O)C[C@H]3C(C)C	85834905	ARPMJUSHFPKJRY-ZJQURUERSA-N	358.478	4.185	50	1	FIGF	biogenic
Cc1cc(C)c(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]1	95755662	CWVQFJNVHJDRBD-KPSZGOFPSA-N	374.655	4.121	50	1	FIGF	
Cc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(F)c2ccccc12	96934311	WDGVGSVFNSQAJY-ZVHZXABRSA-N	374.419	4.177	50	1	FIGF	
CC/C=C/C[C@@H]1C=C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102183074	QYIHGBRMANIEFK-JGRYSZBYSA-N	356.459	4.360	50	1	FIGF	
O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1	103196303	UZTOYJLAVZZMPY-HOTGVXAUSA-N	358.825	4.358	50	1	FIGF	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](Br)c4ccccc41)[C@@H](C2)C3=O	587419176	XBGQDUGMZRWGIH-QMTMVMCOSA-N	371.230	4.178	50	1	FIGF	
C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(O)CC2)OO1	43490699	QTSRTBPHHBHCFP-ATKRNPRHSA-N	352.430	4.345	50	1	FIGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCCl)N1	587684702	LQLFLXCJJUHNDW-ISVAXAHUSA-N	355.078	4.185	50	1	FIGF	
Cc1ccccc1NC(=O)c1c(NC(=O)C(=O)F)sc2c1CCCCC2	1772631963	SSDFBGNSQZEVIF-UHFFFAOYSA-N	374.437	4.012	50	1	FIGF	
C=CCSS/C=C\C[S@@](=O)CCCOCc1ccc(OC)cc1	40972407	SGBAPABFOROMHC-RANKWAFUSA-N	372.577	4.432	50	1	FIGF	
CC/C=C/C=C/[C@H]1C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102182861	RLEJYTIPIQLNLV-YPWPMBHGSA-N	356.459	4.360	50	1	FIGF	
CCCCC[C@H](O)C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CCCCCCC(=O)O	2356709645	NTAYABHEVAQSJS-UURKPOQGSA-N	354.487	4.244	50	1	FIGF	
NC(=Nc1ccc(NC(=O)C[C@@H]2CCSS2)cc1)c1cccs1	589647	ZFXSGMFTRMVFCX-ZDUSSCGKSA-N	363.533	4.267	50	1	FIGF	
C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)C(=O)[C@H](Br)C[C@H]3[C@@H]21	13651520	GJWBDYRIULZNFD-GXNJCCJESA-N	363.295	4.437	50	1	FIGF	
CN(C(=O)c1ccc(N(CCCl)CCCl)cc1)c1ccccc1	49746857	DYNSRIYCGYNKBV-UHFFFAOYSA-N	351.277	4.247	50	1	FIGF	
C=CCC[C@]1(CBr)c2cc(OC)c(OC)cc2C[C@@H](C)N1C	962636567	SNDAULGEVBLZQF-ACJLOTCBSA-N	368.315	4.137	50	1	FIGF	
C[C@@H](Cl)CCCC(=O)c1c(CO)oc2cc(Br)cnc12	587275781	FTPRVQBXYJWQEU-MRVPVSSYSA-N	360.635	4.063	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CBr)cc1F)O2	587385026	LEZIBUJLKHTECH-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	38152964	NLJZTQSPHRUALZ-QIDGUNPVSA-N	352.471	4.201	50	1	FIGF	
COC1=C(C)C(=O)[C@@]2(C)[C@H](C(C)=CCC(C)C)[C@@]3(C)C=C(C)[C@@]2(OO3)O1	2356835343	KRALJWCFVVBXCG-OTNPHJDUSA-N	362.466	4.455	50	1	FIGF	
CCc1c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[nH]c(C)c1C(C)=O	587372040	JEHUZDYFPKMUQT-FQEVSTJZSA-N	374.868	4.078	50	1	FIGF	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)o1	646941	NOXKIDAEJAVKKU-SFHVURJKSA-N	368.396	4.350	50	1	FIGF	
CCCc1ccc([C@@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1	963023354	JUKLDKJPDOFRJB-OPAMFIHVSA-N	368.908	4.175	50	1	FIGF	
COc1ccc(SSc2nc(-c3ccccc3)n(C(C)=O)n2)cc1	1857751446	KQGLKRNKLXMTJZ-UHFFFAOYSA-N	357.460	4.413	50	1	FIGF	
C[C@](O)(/C=C/Cl)[C@H](Cl)/C=C/[C@@](Cl)(CCl)CBr	85856530	VEKFWVZYABZACU-MGWSQPPBSA-N	370.929	4.265	50	1	FIGF	
CCCC[C@H]1C[C@@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@H](CN=C=S)N13	166167163	HRHUTYUQWLIZHC-PXTPFGJHSA-N	364.555	4.377	50	1	FIGF	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Br)C(=O)C3	587102464	UHPNUQXCKVQFAV-QGZVFWFLSA-N	364.198	4.007	50	1	FIGF	
COc1cc2c3c(c1)O[C@H](c1ccccc1CCBr)[C@@H](C2)C3=O	587413314	MRAXTELCTDAMBY-HNAYVOBHSA-N	373.246	4.121	50	1	FIGF	
Fc1c(Br)cc2nc(/C=C\CBr)[nH]c2c1F	586973005	DXLBHOMONRFLOF-UPHRSURJSA-N	351.976	4.012	50	1	FIGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2c(F)cccc12	84707869	YKVMJQBXOMKRHY-OAQYLSRUSA-N	359.404	4.263	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(Cl)cc1)O2	587409139	KNAWGSFQPCVSOP-GOSISDBHSA-N	358.850	4.306	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)([C@H](C)Cl)[C@@H](C2)C3=O	587428189	XTQYXIMVLNKTMJ-WNHVPACKSA-N	364.775	4.244	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Cl)s1)[C@@H](C2)C3=O	587452621	RTSQDBKAIXFLOS-MGPLVRAMSA-N	355.242	4.292	50	1	FIGF	
O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1Nc1ccnc2cc(Cl)ccc12	1772604139	HZEJWFANAINDFF-SJORKVTESA-N	374.227	4.112	50	1	FIGF	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1nsc2ccccc12	1857652363	GYNWGLIUTMPKFR-QGMBQPNBSA-N	350.230	4.367	50	1	FIGF	
CCc1cccc2c([C@@]3(CCl)NCCc4c3c(C(C)C)nn4C)c[nH]c12	962911062	OHHLYTURIFXAKU-OAQYLSRUSA-N	370.928	4.215	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O	587416573	BHDZZXJLWOYIBA-UWJYYQICSA-N	354.833	4.066	50	1	FIGF	
COC(=O)[C@H](Cl)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O	587102218	RZRQAMAAFMAAPV-QGZVFWFLSA-N	351.789	4.208	50	1	FIGF	
COC(OC)C(C=O)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]12CO2	2356724013	ZEWFROGEURPWKT-USNOLKROSA-N	350.499	4.132	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4	194881994	LIEYBQHAGMYZMJ-BFSRMLIZSA-N	372.461	4.008	50	1	FIGF	
CCCc1ccc([C@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1	963023358	JUKLDKJPDOFRJB-ZHRRBRCNSA-N	368.908	4.175	50	1	FIGF	
CCc1ccc(C(=O)NN(C(=O)C2C=C(C)CC(C)=C2)C(C)(C)C)cc1	103185868	OKABCTGDYSDUKG-UHFFFAOYSA-N	354.494	4.433	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(C1CCC(F)(F)CC1)[C@@H](C2)C3=O	587423999	NDDGMFBJTORGRA-SCLBCKFNSA-N	356.796	4.246	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCO3)CC2=O	587459986	JWHWZARYWRDHHI-NRFANRHFSA-N	372.848	4.379	50	1	FIGF	
CC(=O)O[C@@H]1OC(=O)[C@H](CCC=C(C)C)[C@H]2CCC(C)=CCC=C(C=O)[C@H]21	2356664196	LUXFGIHVUNJRSK-NXLVEIQXSA-N	374.477	4.283	50	1	FIGF	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(F)cc2F)ccc1O	221353576	RHGOGMSJNPIUCE-UFFVCSGVSA-N	358.369	4.163	50	1	FIGF	
COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1/C=C/C(C)(C)OO	85907520	DTWJJNIMNAZCIL-MDZDMXLPSA-N	355.390	4.398	50	1	FIGF	
CCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587418666	UVLCJJVRWUMTMI-UZLBHIALSA-N	359.853	4.015	50	1	FIGF	
COc1ccc(C(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1	5319288	HYSSJKYEXPISGA-UHFFFAOYSA-N	368.260	4.198	50	1	FIGF	
O=C1c2c(Br)sc(Br)c2[C@@H](Cl)[C@H]1Cl	1658024	YPLALNOTCKAOQJ-QWWZWVQMSA-N	364.873	4.357	50	1	FIGF	
COC(=O)c1nc2cccc3c2c(c1CCCl)-c1ccccc1C3=O	587103495	IRUWQMPGEMEIBV-UHFFFAOYSA-N	351.789	4.014	50	1	FIGF	
COc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	587373980	VAHLAGLFJDMINL-GOSISDBHSA-N	366.244	4.339	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1CBr)O2	587387168	ZVAAAEZUSDTUAJ-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
C/C(=C\C#N)N/C(=N\O)c1ccc(C)nc1Oc1ccc2ccccc2c1	101826520	UFALWJJQERNBLS-RVDMUPIBSA-N	358.401	4.488	50	1	FIGF	
CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@H]1[C@H](C)C(=O)O	2356696000	FGFQWRWPERZHEJ-NUXNZHGMSA-N	360.567	4.418	50	1	FIGF	
CCCCCCCC(=O)O[C@H](CBr)COC(=O)C(C)(C)C	73293258	LETSCFJOIJFRKL-CYBMUJFWSA-N	365.308	4.243	50	1	FIGF	
CCCC1=C(C(=O)OCC)[C@@H](c2ccnc3ccccc23)C(C#N)=C(C)N1	49070725	LIHLXWYJHXJFEM-FQEVSTJZSA-N	361.445	4.336	50	1	FIGF	
O=C1c2ccccc2-c2cc(CCCBr)nc3ccc(O)c1c23	586984681	OJIVSTSRQCIJKE-UHFFFAOYSA-N	368.230	4.479	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N=C=O)cc1)O2	587387095	NBFGVVQLJPKCSX-QHCPKHFHSA-N	370.408	4.454	50	1	FIGF	
N#C/C(C(=O)Nc1ccc(C#Cc2ccc(Cl)cc2)cc1)=C(/O)C1CC1	39054488	DBQFDZGBJMDIGH-VXPUYCOJSA-N	362.816	4.424	50	1	FIGF	
CC[C@H](OO)[C@@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1	102183089	NEFBFYIAKJRRAE-OHNRDBALSA-N	356.459	4.360	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3	100861647	PUANDXJMFDLSLQ-CNRZMOCLSA-N	352.471	4.345	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O	587416571	BHDZZXJLWOYIBA-LAUBAEHRSA-N	354.833	4.066	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CBr)c1F)O2	587384697	IHKOPUTVIPLJJX-OAHLLOKOSA-N	364.214	4.318	50	1	FIGF	
CCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1	653899223	MZKUTFSSIFVTKY-UHFFFAOYSA-N	368.477	4.288	50	1	FIGF	
CC(C)c1ccc(OC[C@@]2(CCl)NCCc3c(C(=O)O)cccc32)cc1	963124571	RPTFVCATDYEATN-OAQYLSRUSA-N	373.880	4.167	50	1	FIGF	
Oc1ccc(CCc2nnc(CCCC[C@H]3CCSS3)o2)cc1O	28823694	KEKLUBXCOPMNPZ-ZDUSSCGKSA-N	366.508	4.133	50	1	FIGF	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1Br	68600267	XLHOQZQNHAFORH-UHFFFAOYSA-N	357.187	4.089	50	1	FIGF	biogenic
COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(F)c(F)c2[nH]1	586971770	YPTSROQRZBVMCW-JTQLQIEISA-N	353.594	4.356	50	1	FIGF	
O=C[C@@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101428	GQMSGPPIEKQCMS-CQSZACIVSA-N	352.187	4.081	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H](C)NC(=O)CCl	587901462	DNHPQYRGGMGBCA-CYBMUJFWSA-N	362.256	4.164	50	1	FIGF	
CCC=CCC=CC[C@H](O)C=C[C@@H](Cl)[C@@H](O)CC=CCCCC(=O)O	2356321567	BEZAFRRJMXICCZ-OTWHNJEPSA-N	370.917	4.376	50	1	FIGF	
Oc1ccc([C@@]2(CCCl)c3c(F)cccc3C[C@@H]3CCCN32)c(O)c1	963108450	OYWQBMCPJPZBPW-XOBRGWDASA-N	361.844	4.130	50	1	FIGF	
Nc1ccc(-c2ccc3nc(CCCCBr)[nH]c3c2)cc1N	586972317	MGVAYRFQFZGEPZ-UHFFFAOYSA-N	359.271	4.112	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(CBr)c1)O2	587385020	LCODCNRMZQJYPF-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
COC(=O)N/N=C\c1cn(CCCOc2ccc(C)cc2)c2ccccc12	15979279	QNZUVINATWHYDT-HMAPJEAMSA-N	365.433	4.109	50	1	FIGF	
C[N+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	40434028	MSFDRSZROUKKAE-BIJUTJOUSA-N	373.456	4.405	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC1	238764716	RTCKDHVITUSVDJ-YSDSKTICSA-N	358.950	4.031	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(COc1ccccc1)CC2=O	587461710	XZVZEPYCYHVLTB-FQEVSTJZSA-N	360.837	4.367	50	1	FIGF	
Cn1c(/C(C#N)=C(\O)c2ccc(Br)s2)nc2ccccc21	101801336	UDPJYZRWALMZNP-ZROIWOOFSA-N	360.236	4.347	50	1	FIGF	
COC(=O)c1nc2c(C)ccc3c2c(c1CCCl)-c1ccccc1C3=O	586992621	FECZRUNNYYGOEP-UHFFFAOYSA-N	365.816	4.323	50	1	FIGF	
COc1ccc2[nH]cc(/C=C(\C#N)C(=O)c3c[nH]c4ccc(OC)cc34)c2c1	299823103	JZNSYRAZHIIWDI-NTUHNPAUSA-N	371.396	4.456	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(F)(F)F)N1	587702780	FRHUFZDMNKIUIV-KSBSHMNSSA-N	360.576	4.119	50	1	FIGF	
CCC(=O)Nc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(SC)cc2)cc1	1660514	IMSWXABTJYOLJD-QZTJIDSGSA-N	374.893	4.452	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@](CCl)(CCCl)[C@@H]1c1ccc(F)cc1	587327370	PTVRPYRBKAOPBS-AEFFLSMTSA-N	369.219	4.497	50	1	FIGF	
Cc1ccc2[nH]c3c(c2c1)CCC(=C\c1ccccc1)/C3=C(\C#N)C(N)=O	1857588487	YKYMMVGJJMHICD-MNOKLWBPSA-N	353.425	4.269	50	1	FIGF	
N#Cc1ccc2c(C(=O)[C@H](Br)CCBr)coc2c1	587279234	PJWPIDDHHLHVDF-LLVKDONJSA-N	371.028	4.036	50	1	FIGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCBr)N1	587674688	ZHBFZPGWLICNAY-ISVAXAHUSA-N	365.084	4.339	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C(Cl)Cl	587545572	RQFLRDQPWOCNBD-LRDDRELGSA-N	373.619	4.135	50	1	FIGF	
CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@@](C)(Br)[C@H](Cl)C1	2356431170	FEQAISWHFUFFRA-GBOPCIDUSA-N	353.728	4.016	50	1	FIGF	
COc1ccc(OC)c([C@@]2(CCl)NCCc3c2sc(C)c3C)c1	963015957	XCRMZXNAHNTPSR-GOSISDBHSA-N	351.899	4.010	50	1	FIGF	
CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC=CC[C@H]3O2)CC[C@@H]1Br	2356797563	OCNVHNVXTBMRBX-AUOOEQCUSA-N	359.304	4.338	50	1	FIGF	
CN[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@]1(C)[C@@H]1CO1	2356875656	ZSPIUBCULNOIHY-KXDPPZGFSA-N	358.913	4.163	50	1	FIGF	
CCOc1ccc2c(NNC(=O)c3cc4ccccc4cn3)cc(C)nc2c1	71335255	BPCYVDUEVFYMAD-UHFFFAOYSA-N	372.428	4.247	50	1	FIGF	
C=CCSS/C=C/C[S@](=O)CCCOCc1ccc(OC)cc1	40957704	SGBAPABFOROMHC-LHRVCSDGSA-N	372.577	4.432	50	1	FIGF	
COc1ccc([C@@H]2Oc3cc(OC)c(OC)cc3[C@@H]2CCl)cc1OC	1634767	GGIVBKRXKGZZFT-DJJJIMSYSA-N	364.825	4.177	50	1	FIGF	
COc1ccc([C@@H]2Oc3cc(OC)c(OC)cc3[C@H]2CCl)cc1OC	1634769	GGIVBKRXKGZZFT-YJYMSZOUSA-N	364.825	4.177	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)NCCCl)cc1	587906339	AVXMCHOKLGSNJZ-UHFFFAOYSA-N	363.244	4.109	50	1	FIGF	
O=C(Nc1cc(Cl)ccc1O)c1cc2cc(CCl)ccc2oc1=O	28703750	IEPVJIZBZSTYMK-UHFFFAOYSA-N	364.184	4.143	50	1	FIGF	
Oc1ccc(CCc2nnc(CCCC[C@@H]3CCSS3)o2)cc1O	28823693	KEKLUBXCOPMNPZ-CYBMUJFWSA-N	366.508	4.133	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3	100860652	NLJZTQSPHRUALZ-QLVFJVLCSA-N	352.471	4.201	50	1	FIGF	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Br)C(=O)C3	587102463	UHPNUQXCKVQFAV-KRWDZBQOSA-N	364.198	4.007	50	1	FIGF	
CC[C@H](OO)[C@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	102182872	ZXMQUTOSCPQVII-QAXDYIIYSA-N	356.459	4.360	50	1	FIGF	
COC(OC)C(C=O)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]12CO2	2356724012	ZEWFROGEURPWKT-SEONNTABSA-N	350.499	4.132	50	1	FIGF	
CCCCN(CCCC)c1ccc(/C=N/NC(=O)c2ccccn2)cc1	95808992	HCDOJARNVXKKKM-HAVVHWLPSA-N	352.482	4.252	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@@H](C)Cl)[C@@H](C2)C3=O	587418217	SSTYJPDPOBSYTF-RZVZBCHOSA-N	368.860	4.454	50	1	FIGF	
COc1ccc(OC)c([C@]2(CCl)NCCc3c2sc(C)c3C)c1	963015982	XCRMZXNAHNTPSR-SFHVURJKSA-N	351.899	4.010	50	1	FIGF	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CBr)[C@H]2O	38224590	UCIGYZZWLZVCAD-NMBIULDBSA-N	365.311	4.230	50	1	FIGF	
O=C(CCCC[C@@H]1CCSS1)NCCc1c[nH]c2ccc(O)cc12	14979698	ANAYYVXDULHHDL-OAHLLOKOSA-N	364.536	4.246	50	1	FIGF	
O=c1cc(C(F)(F)F)c2cc(N(CCCl)CC(F)(F)F)ccc2[nH]1	14968441	SELMPKRPYFWUEW-UHFFFAOYSA-N	372.696	4.154	50	1	FIGF	
Cc1ccc(-c2nn(C[C@H](Cl)c3ccccc3)c3ncnc(N)c23)cc1	473136383	QQYAHZXECNNZDC-INIZCTEOSA-N	363.852	4.364	50	1	FIGF	
Cc1cc([C@]2(CCCCl)NCCc3nc4ccccn4c32)ccc1F	962988342	YALFKWKZOVKZFA-FQEVSTJZSA-N	357.860	4.190	50	1	FIGF	
CC=C(C=O)[C@@H]1C[C@@H]2c3c(c4ccccc4n3[C@H](OCC)C1)CCN2C	2356533993	VRGSMYCUMKUHGF-MAODMQOUSA-N	352.478	4.261	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccccc1[C@H](C)NC(=O)CCl	587901463	DNHPQYRGGMGBCA-ZDUSSCGKSA-N	362.256	4.164	50	1	FIGF	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccc(F)cc1	64373394	DOMKOJNQXDXULU-IBGZPJMESA-N	356.360	4.050	50	1	FIGF	
CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C(C)/C=C/c1ccccc1	64550089	GVKGWIIGOCDFKW-ZUKVMSMLSA-N	351.450	4.091	50	1	FIGF	
N#CC(C#N)=C1C[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc21	963112390	SKGALYZKSZOURM-WZONZLPQSA-N	355.416	4.294	50	1	FIGF	
O=C1OC(=O)c2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)ccc21	586905807	COGYGVYZIWMAKL-UHFFFAOYSA-N	370.364	4.120	50	1	FIGF	
CCCCCCN1C(=O)/C(=N\NC(=O)Nc2ccccc2)c2ccccc21	40380143	WFUKFIZIABKIJW-NMWGTECJSA-N	364.449	4.139	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3	100861646	PUANDXJMFDLSLQ-VNFHWRPASA-N	352.471	4.345	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1cccc(Cl)c1)O2	587410630	TZSBQWWQGPTJHN-SFHVURJKSA-N	358.850	4.306	50	1	FIGF	
O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc(F)ccc12	587632757	OOXSRWZZHPKOKZ-UHFFFAOYSA-N	373.181	4.003	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCCl)N1	587684704	LQLFLXCJJUHNDW-OQPBUACISA-N	355.078	4.185	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@@]2(CCl)c1ccc(C(F)(F)F)cn1	963005728	FONJRSWYNUAFAA-HNNXBMFYSA-N	360.832	4.407	50	1	FIGF	
O=C(c1ccccc1)n1c2ccccc2c(=O)n1-c1ccccc1CCl	95567175	IUMMLBHWFXSWNL-UHFFFAOYSA-N	362.816	4.220	50	3	FIGF	
C=CCC[C@]1(CBr)CC(=O)c2ccc(O)c(CCC)c2O1	587456313	NECKZXNYMFMRML-QGZVFWFLSA-N	353.256	4.410	50	1	FIGF	
CCCc1ccc([C@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1	963023346	JUKLDKJPDOFRJB-AOMKIAJQSA-N	368.908	4.175	50	1	FIGF	
O=C(N/N=C/c1ccccc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1	1857653306	XCTXHCSGPBXUPL-ZVHZXABRSA-N	371.400	4.462	50	1	FIGF	
COc1cc2nc3occc3c(OC)c2c(/C=C/C(C)(C)OO)c1OC	138815911	TXLPSNHGAORPAF-SOFGYWHQSA-N	359.378	4.288	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(Cc1ccccc1Cl)[C@@H](C2)C3=O	587416523	AURVJSZEVHTTQS-LIRRHRJNSA-N	363.240	4.316	50	1	FIGF	
CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	38153950	ZKFPZYWURYLAPZ-LJQANCHMSA-N	364.405	4.025	50	1	FIGF	
CC/C=C\C[C@@H](OO)[C@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1	231929735	OQTORMRWKPKCSO-GRYGKOSYSA-N	356.459	4.360	50	1	FIGF	
CC[C@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO	102183057	MJUWCOUUJKOCJT-ZPQCBSMESA-N	356.459	4.050	50	1	FIGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCBr)N1	587673469	NBXQJWXJTYGCFA-GZMMTYOYSA-N	365.084	4.339	50	1	FIGF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1ccc(Cl)cc1	963640610	WSRUFPSVSZZYSP-CWTRNNRKSA-N	366.288	4.374	50	1	FIGF	
C=C(C)[C@@H](CCC1=CC[C@H](C(C)=CCCC(C)=CCO)OC1=O)OO	2356470993	NMQLFTCNCGSJQX-RTBURBONSA-N	350.455	4.108	50	1	FIGF	
C[C@H](Br)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12	13740900	ZSHAPJMTMDKZGI-ZDUSSCGKSA-N	371.278	4.277	50	1	FIGF	
C[C@]1(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC2(CCCCC2)OO1	42852535	SIGWTPURUMONFW-FZFNZOESSA-N	361.526	4.379	50	1	FIGF	
C=C(c1ccc(C)cc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1	43130470	LDVZLSIAMUIOAP-ZQRQZVKFSA-N	358.434	4.115	50	1	FIGF	
C=C1CCC=C(C(=O)O)C[C@H](OC(=O)C(C)=CC)CC(C)(C)C[C@H]1OO	2356422832	KJIICKUZOTZGRS-DLBZAZTESA-N	366.454	4.280	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H](C1)[C@@H]2Cl	587551236	YWBDQNOSHDOLGP-CNSAIYPESA-N	356.805	4.130	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\Cl)(CCl)N1	587689713	VEQYDCWRWPIKDQ-WJKURFHGSA-N	353.062	4.309	50	1	FIGF	
CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(C)ccc21	40379878	BCHFVBYGZWDWRG-ATJXCDBQSA-N	363.461	4.056	50	1	FIGF	
CC(C)=CCOc1ccc(/C=C/C(=O)NNc2nncc3ccccc23)cc1	66122769	WAEOBEUKHQCSBH-FMIVXFBMSA-N	374.444	4.131	50	1	FIGF	
COC1=C(C)C(=O)[C@]2(C)[C@@H](C(C)=CCC(C)C)[C@@]3(C)C=C(C)[C@@]2(OO3)O1	2356835341	KRALJWCFVVBXCG-CZGNIMDHSA-N	362.466	4.455	50	1	FIGF	
CCOc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587371587	GZPPDSABHGYXHD-XCLFUZPHSA-N	359.853	4.464	50	1	FIGF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](Br)C2=O	61704745	WQCCGDRKRHLVJM-DQPZPLTKSA-N	367.327	4.253	50	3	FIGF	
CCOP(=O)(OCC)[C@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C	103249381	LNUXYXBISGXRJP-MRXNPFEDSA-N	364.382	4.378	50	1	FIGF	
CC[C@@H](OO)[C@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1	231929785	NEFBFYIAKJRRAE-KYRFJYPTSA-N	356.459	4.360	50	1	FIGF	
COC(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1	586973259	HCGLUKSUPRLPDF-NSHDSACASA-N	373.250	4.396	50	1	FIGF	
BrCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1	586972519	VTLVPESKJFOQDB-UHFFFAOYSA-N	355.239	4.377	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(O)cc1)[C@@H](C2)C3=O	587424275	YQMIHYKUOGNSSS-JXFKEZNVSA-N	358.821	4.063	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](C)Br)CC2=O	587456539	QLBQDWAMXOYGKI-QGHHPUGFSA-N	353.256	4.242	50	1	FIGF	
C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@@H](C=C[C@H](CC)OC)O1	2356619308	ASFVDGVLCUHZLD-GVRJEKJASA-N	361.707	4.076	50	1	FIGF	
CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@H]1c1ccco1	20136818	FPBJAJTXGLCDCM-INIZCTEOSA-N	366.442	4.039	50	3	FIGF	
CCCCNc1ncnc2c1cnn2C[C@@H](Br)c1ccccc1	13682940	WPIQFKYSDUYBQH-OAHLLOKOSA-N	374.286	4.175	50	1	FIGF	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc2ccccc2[nH]1	84740265	QDOHNPUIEKEOEY-AWQFTUOYSA-N	362.216	4.004	50	1	FIGF	
Cc1ccc(C(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1	5419793	ZBGALQUZONQCFB-UHFFFAOYSA-N	352.261	4.498	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc[nH]2)[C@H]1c1ccc(F)cc1	587326590	LZOPXALMIHXTJN-ICSRJNTNSA-N	371.795	4.353	50	1	FIGF	
C[C@@]1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=C(C#N)C(=C(C#N)C#N)N1	1864089	HMJHUCLFBGAWRD-QFIPXVFZSA-N	372.378	4.452	50	1	FIGF	
C/C(=N\NC(=O)Nc1nc2ccc(C)cc2s1)c1ccc([N+](=O)[O-])cc1	28823197	BOCRCVAYRYSGSR-RGVLZGJSSA-N	369.406	4.059	50	1	FIGF	
Cc1ccc2nc(Cl)c(/C=N\NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1	33912549	WBABBODUVSMYOZ-GBOPDRENSA-N	363.848	4.450	50	1	FIGF	
Cn1nc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1O	587154264	AWVKKOARXJTZKI-UHFFFAOYSA-N	358.267	4.466	50	1	FIGF	
CC(=O)O[C@@H]1OC(=O)[C@H](CCC=C(C)C)[C@H]2CCC(C)=CCC=C(C=O)[C@@H]21	2356664197	LUXFGIHVUNJRSK-XWSHUIEDSA-N	374.477	4.283	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)[C@@H](Br)C[C@H]12	61946912	LQLVHJDLPXFYPF-LWOLVSIASA-N	371.359	4.124	50	3	FIGF	
O=C(N/N=C\c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12	33291413	RFAKOGFXPBSUBF-QRVIBDJDSA-N	359.360	4.398	50	1	FIGF	
COc1cc(O)c2c(c1)CCCCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O	66065894	GLRILJLJSBHYAR-GXTWGEPZSA-N	368.857	4.019	50	1	FIGF	
COc1ccc2c(c1)[C@@](CBr)(c1ccco1)N(C(C)C)CC2	962093010	OWMPIEIHRIHGNP-SFHVURJKSA-N	364.283	4.193	50	1	FIGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccccc2)c1	38145335	MZVYEYBNAXTIIP-YUIBMZAKSA-N	373.481	4.294	50	1	FIGF	
O=C(N/N=C/c1ccccc1O)c1ccc(-c2nc3ccccc3s2)cc1	299862685	KBCYJTBTWTWWSE-LPYMAVHISA-N	373.437	4.433	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1sccc1Cl)O2	587411210	RUUMZWCHPJJCFZ-INIZCTEOSA-N	364.879	4.367	50	1	FIGF	
COc1cc2c3c(c1)O[C@](C)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O	587414145	KQINUMAZZSPXNI-JVPBZIDWSA-N	373.246	4.338	50	1	FIGF	
CN1C(=O)N(CCCl)N=Nc2c(C(F)(F)F)nn(-c3ccccc3)c21	299868246	ZKNJSAHRRNXOOH-UHFFFAOYSA-N	372.738	4.000	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)([C@H](C)Cl)O2	587382149	OPKYWVKOTKOOBO-XTZNXHDOSA-N	351.780	4.343	50	1	FIGF	
CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CCl	587422066	PBOGJFFZTDKVHE-IIBYNOLFSA-N	372.848	4.496	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@]21C#N	2356714586	CLXKBATYSCEAQF-MTHPSSPSSA-N	352.865	4.412	50	1	FIGF	
C=C(c1ccccc1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1	43491113	IDFGEBVHUDMTDG-YMBRHYMPSA-N	358.434	4.197	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)C(C)(C)C)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103105609	QEHNBJWINOGIJH-DWTOJNLSSA-N	366.498	4.242	50	1	FIGF	
CC(C)(F)[C@@H](Br)c1nc2ccc(Br)c(O)c2[nH]1	587086662	GANZCCSJTLCSEO-VIFPVBQESA-N	366.028	4.215	50	1	FIGF	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](Br)[C@@H]2O	254047162	LQLVHJDLPXFYPF-KHYHMXDNSA-N	371.359	4.124	50	3	FIGF	
C=C(C)/C=C/C[C@@H]1C(=O)O[C@H](OC(C)=O)[C@H]2/C(C=O)=C\C/C=C(\C)CC[C@H]12	140489844	NQNWKMZRJAIBCS-LAFQSPFWSA-N	372.461	4.059	50	1	FIGF	
CCOC(=O)[C@@]1(CCCCCCl)c2c(F)cccc2C[C@@H]2CCCN21	963115314	VQEDHMIADXNFIS-OXJNMPFZSA-N	367.892	4.404	50	1	FIGF	
C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC=C3CO[C@@H](O)[C@H]3[C@]2(C)C[C@@H](O)[C@@H]1Cl	85639223	YIKMJRPKQBPFHJ-HGUFDRQISA-N	368.945	4.275	50	1	FIGF	
O=C(NNc1ccccc1C(F)(F)F)C12C3[C@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12	1772604257	NTECRYDXIDEWOW-ARNNJTFDSA-N	362.395	4.077	50	1	FIGF	
C/C(Br)=C1\O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	103106438	LTLDGUBSVIOIRQ-YRTSXIJBSA-N	373.287	4.495	50	1	FIGF	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](Br)C[C@@H]12	25966055	CSELWEPNDJXTQB-GJGATLCTSA-N	363.295	4.494	50	1	FIGF	
Fc1cccc2c1[C@@](CCl)(c1c[nH]c3ncccc13)N1CCC[C@@H]1C2	963094240	BZLVDRUGPMZLDL-JLTOFOAXSA-N	355.844	4.205	50	1	FIGF	
CC/C=C\C[C@@H](OO)[C@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1	102182896	OQTORMRWKPKCSO-RKBVSNHXSA-N	356.459	4.360	50	1	FIGF	
CC[C@]1(CCCBr)NCCc2cc3cccc(OC)c3nc21	963064129	GNEOLQJBBAXRBE-GOSISDBHSA-N	363.299	4.170	50	1	FIGF	
C/C(Br)=C1/O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	103106436	LTLDGUBSVIOIRQ-BJAODKLWSA-N	373.287	4.495	50	1	FIGF	
O=C(C[C@@H]1CC[C@@H](/C=C/C(=O)c2ccccc2)OO1)OCc1ccccc1	72176385	AMBLUZQNNGVSFX-JAPHFTBRSA-N	366.413	4.038	50	1	FIGF	
N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2cccs2)[C@@H]2CCCC=C12	169348697	NPELVAUVLXFACR-JSVDNDDVSA-N	373.481	4.198	50	1	FIGF	
C[C@H](Cl)C(=O)n1cc(-c2ocnc2Br)c2ccccc21	103292280	IOMWISAUIDOFGP-QMMMGPOBSA-N	353.603	4.326	50	1	FIGF	
CN1CCc2c(Br)cccc2[C@@]1(C)c1cccc(N=C=O)c1	963280613	OASHKKGMYUSOHN-GOSISDBHSA-N	357.251	4.168	50	1	FIGF	
C=CC1=C(C)C(=O)C=C2[C@@](C)(CCC(=O)OC)[C@@H](C(=C)C)CC[C@@]21OO	2356435769	OONMQCVQEOUVNN-CZAAIQMYSA-N	360.450	4.172	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587188647	UQKXWVKBLUAXRE-FLIBITNWSA-N	369.178	4.298	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)/C=C\[C@H](Cl)[C@H](O)C/C=C\CCCC(=O)O	13385876	BEZAFRRJMXICCZ-RMSCCWQCSA-N	370.917	4.376	50	1	FIGF	
Fc1cccc2c1[C@@](CCl)(c1c[nH]c3ncccc13)N1CCC[C@H]1C2	963094241	BZLVDRUGPMZLDL-VBKZILBWSA-N	355.844	4.205	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1cccc(Cl)c1)O2	587410629	TZSBQWWQGPTJHN-GOSISDBHSA-N	358.850	4.306	50	1	FIGF	
CC(C)=CCC[C@@]1(C)[C@H]2CC=C3CO[C@H](O)[C@@H]3[C@@]2(C)[C@@H](O)C[C@H]1Cl	2356560066	RPDLIZRMSAIARM-BCPGGHEJSA-N	354.918	4.029	50	1	FIGF	
CC(=O)OC[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@H](C)CCC=C(C)C	2356760919	SYFAUKOFHTVEDD-HLRQEUIKSA-N	362.510	4.391	50	1	FIGF	
Cc1cn(CCC(=O)N/N=C/c2ccc3cccnc3c2)c2ccccc12	115596627	BDSIQFUBBPTDMY-ZVHZXABRSA-N	356.429	4.038	50	1	FIGF	
O=C(CBr)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1	587208770	ZIHDJVJJYSGBGZ-UHFFFAOYSA-N	367.246	4.334	50	1	FIGF	
Cc1c(F)ccc2c1[C@](CCl)(c1cc(C)n(-c3ccon3)c1C)NCC2	962295253	CXDGEZXSIRAHGF-FQEVSTJZSA-N	373.859	4.158	50	1	FIGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c2ccccc12	84652774	LIDIJMSUNXFGND-OAQYLSRUSA-N	359.404	4.263	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4cccc(C)c14)[C@@H](C2)C3=O	587423182	SZFGJFAJSIJUQK-QKKBWIMNSA-N	367.832	4.367	50	1	FIGF	
N#CCCn1c(-c2ccccn2)nc2cc(N=C=S)c(N=C=S)cc21	169321314	GDVZXYHMZUJCHT-UHFFFAOYSA-N	362.443	4.481	50	1	FIGF	
O=S(c1ccc(NCCCl)cc1)c1ccc(NCCCl)cc1	1545246	KHWLPMFXRCLPCA-UHFFFAOYSA-N	357.306	4.155	50	1	FIGF	
C=C1CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)Cl)[C@H](O)[C@@H]2[C@H]1C=C[C@@]2(C)OO	2356510716	JFPULJNUBFSIFL-YZPWXWNTSA-N	372.933	4.159	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccccc1	587545728	SGTLMRXDCQLNJS-GHTZIAJQSA-N	366.800	4.488	50	1	FIGF	
C=C(C)[C@H](CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO	523042394	NMQLFTCNCGSJQX-COWBHMTBSA-N	350.455	4.108	50	1	FIGF	biogenic
C[C@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587325332	XMXYOLTWAVHBMR-YOEHRIQHSA-N	355.192	4.453	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)/C=C\[C@H](Cl)[C@@H](O)C/C=C\CCCC(=O)O	14923526	BEZAFRRJMXICCZ-KQUNEIIMSA-N	370.917	4.376	50	1	FIGF	
C=CC1=C(C)C(=O)C=C2[C@]1(OO)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC	49853725	OONMQCVQEOUVNN-HBGVWJBISA-N	360.450	4.172	50	1	FIGF	biogenic
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC1	13386325	RTCKDHVITUSVDJ-NIMBFUQJSA-N	358.950	4.031	50	1	FIGF	biogenic
CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1	26149905	UKJZJVXQQWGKEN-FQEVSTJZSA-N	371.908	4.278	50	1	FIGF	
COC(=O)[C@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2	195517140	JQPMCHOKNZDRBQ-VXNCWWDNSA-N	356.579	4.271	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ncccc13)CC2=O	587461145	PQIUVVMGVUOADU-HXUWFJFHSA-N	370.836	4.321	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H](Br)C(=O)CC[C@]34C)[C@H]1CC[C@@H]2O	2356465527	XNFPSGMHGPKVAT-MXKFRBEASA-N	369.343	4.333	50	1	FIGF	
C/C(=N\NC(N)=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1	84709371	ARUDTXDMQSOCME-YDZHTSKRSA-N	365.437	4.194	50	1	FIGF	
COc1cc2c(Nc3ccc(C)cc3)nnnc2cc1OCCCCl	103295922	WMNZVRRHIVGYLJ-UHFFFAOYSA-N	358.829	4.093	50	1	FIGF	
Cc1cnc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)s1	103167940	USGDTKBPOKYXAU-OLZOCXBDSA-N	364.257	4.348	50	1	FIGF	
CCCCC/C=C/C[C@@H]1/C(=C/[C@H](CCCC(=O)O)OO)[C@@H]2C[C@@H]1OO2	231929708	RMDWPORTSLRMPB-UTJZLDJWSA-N	354.443	4.271	50	1	FIGF	
CCOC(=O)/C(C#N)=C1\Nc2ccccc2N=C1N(CC(C)C)CC(C)C	104030600	XDOVCELIHLXKAK-MNDPQUGUSA-N	368.481	4.097	50	3	FIGF	
CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169321732	PUANDXJMFDLSLQ-QWZOMWNOSA-N	352.471	4.345	50	1	FIGF	
C=CCO/C(O)=C1/C(C)=NC(SC)=C(C#N)[C@@H]1c1ccccc1OC	618016398	XLMBTPSPRZDZPD-DOMQTXCISA-N	356.447	4.324	50	1	FIGF	
Cc1ccc(S(=O)(=O)N2CC[C@@H](Cl)C[C@@H]2C2CCCCC2)cc1	28704301	QTLABEVBSNLHNA-SJLPKXTDSA-N	355.931	4.336	50	1	FIGF	
Cc1cnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)s1	103167937	USGDTKBPOKYXAU-STQMWFEESA-N	364.257	4.348	50	1	FIGF	
COc1c(OCC=C(C)CC=CC(C)(C)OO)ccc2ccc(=O)oc12	2356588178	KTRDAVKVFFNWMB-UHFFFAOYSA-N	360.406	4.341	50	1	FIGF	
COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc2c1	587188413	RSUCNJPSLZPEBB-VGOFMYFVSA-N	351.793	4.376	50	1	FIGF	
O=C(CCl)Nc1ccc(-n2cc(-c3ccc4ccccc4c3)nn2)cc1	1772633496	MDHOQJBSPYDMPL-UHFFFAOYSA-N	362.820	4.265	50	1	FIGF	
O=C(N/N=C/c1c(-c2ccc(O)cc2)[nH]c2ccccc12)c1ccccc1	82152713	GEPXQVGVUGVAIR-OEAKJJBVSA-N	355.397	4.304	50	1	FIGF	
Fc1cc2[nH]c(CCCCBr)nc2cc1Br	586972414	QEQAXKRUGHKFFB-UHFFFAOYSA-N	350.029	4.182	50	1	FIGF	
C=C(C)[C@@H](CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO	523042395	NMQLFTCNCGSJQX-HEZQLUFBSA-N	350.455	4.108	50	1	FIGF	biogenic
Cc1cn(CCC(=O)N/N=C/c2cc(C)c3ncccc3c2)c2ccccc12	115596431	AEKGRJJQHNXOFN-AFUMVMLFSA-N	370.456	4.347	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl	587701668	CAPKVMGWBFMOKG-CGVWEYDSSA-N	358.682	4.355	50	1	FIGF	
CC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587374661	ZEXXJEIAFWYBMQ-YUNKPMOVSA-N	372.852	4.024	50	1	FIGF	
C=C1CC[C@H]([C@@H](C)CC[C@@H](O)C(C)(C)Cl)[C@H](O)[C@@H]2[C@@H]1C=C[C@@]2(C)OO	238735826	JFPULJNUBFSIFL-VBTWNPCZSA-N	372.933	4.159	50	1	FIGF	
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl	299806651	HAYTWGXBZPKSAY-BOOASOPXSA-N	354.661	4.040	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(C)cc21	587467531	DXWGSQRCXHNIAF-JOCHJYFZSA-N	361.397	4.314	50	1	FIGF	
N#CC1=COc2cc(F)ccc2[C@]12c1ccc(C(F)(F)F)c3c1CCN32	962719197	ZLEZMWKNJHFLIV-GOSISDBHSA-N	358.294	4.264	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169372174	NLJZTQSPHRUALZ-QWZOMWNOSA-N	352.471	4.201	50	1	FIGF	
Fc1cccc2c1[C@](CCl)(c1c[nH]c3ncccc13)N1CCC[C@@H]1C2	963094243	BZLVDRUGPMZLDL-VLIAUNLRSA-N	355.844	4.205	50	1	FIGF	
O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc2ccccc2c1	38214584	KJYCCCJHOILYDI-OBUCEREZSA-N	350.334	4.162	50	1	FIGF	
COC(=O)c1cc(Cl)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1	587086535	CLEALYVYRCSOSO-SNVBAGLBSA-N	363.614	4.187	50	1	FIGF	
O=C1OC(=O)c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)ccc21	586906083	IPWLQFVXKWKRHT-UHFFFAOYSA-N	356.337	4.333	50	1	FIGF	
C=C1CCC[C@H]2[C@@](C)(C/C=C(/C=O)[C@H](C=O)OC(C)=O)[C@H](C)CC[C@@]12C	29398282	JYWMQCPLXKBVTF-HDAAECNDSA-N	360.494	4.431	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](Br)c3ccccc31)O2	587373418	QJZVIJGMHNXHAS-KDOFPFPSSA-N	358.235	4.278	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@@H]2[C@@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1N=C	2356466532	JTVDRBQJMSKYJO-HMGRVEAOSA-N	372.896	4.234	50	1	FIGF	
O=C(CSc1nnc(-c2ccc(N=C=S)cc2)o1)c1ccccc1	73164028	CWGLGJRSHCHTQL-UHFFFAOYSA-N	353.428	4.446	50	1	FIGF	
COc1ccc(Cl)cc1C#CCc1cccc(CBr)n1	587898498	LLZVNLUGUVSLJN-UHFFFAOYSA-N	350.643	4.233	50	1	FIGF	
C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@]45O[C@]4(C)C(O)=C(C#N)C[C@]5(C)[C@H]3CC[C@@]21C	2356330875	CETKWEWBSMKADK-HYBQBEMRSA-N	357.494	4.247	50	1	FIGF	
CC(=O)OC[C@H]1/C(C=O)=C/C/C=C(\C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C	140436249	SYFAUKOFHTVEDD-CLIFPYTNSA-N	362.510	4.391	50	1	FIGF	
CCCCCC1=CC(=O)C2=C(OC(C)(C)[C@@H]3C=C[C@@](C)(OO)C[C@@H]23)C1=O	1857766010	IPOMBILHBXNMGQ-VTJXTGGHSA-N	360.450	4.148	50	1	FIGF	
N#C/C(=C\c1cn(Cc2cc(F)cc(F)c2)c2ccc(F)cc12)C(=O)O	2382249651	GBULBWNUYMIDQM-LFYBBSHMSA-N	356.303	4.098	50	1	FIGF	
Cc1ccccc1[C@@H]1C(C#N)=C(N)OC(c2c[nH]c3ccccc23)=C1C#N	58592369	DZELCTHYWWEIKF-FQEVSTJZSA-N	352.397	4.219	50	1	FIGF	
Clc1c(Br)cnc2[nH]c(CCCCBr)nc12	586972361	NTYDBGVKXGTIRB-UHFFFAOYSA-N	367.472	4.091	50	1	FIGF	
Cc1ccc(/C=C(\C#N)c2nc3cc(Br)c(C)nc3[nH]2)cc1	587188100	NQJYFIAMFODHEZ-NTUHNPAUSA-N	353.223	4.401	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC(C)(C)C)[C@H]1Cl	587461268	LNOXSRWBJCKSAA-SZVBFZGTSA-N	352.858	4.244	50	1	FIGF	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3CBr	586983659	AQYAKVPQOWCPLY-SECBINFHSA-N	366.214	4.186	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CCCl)CCCl	587547344	ZOBCPOGFDGVNAQ-HNNXBMFYSA-N	367.228	4.350	50	1	FIGF	
CC(=O)O[C@@H]1CC(=O)[C@H]([C@H]2C(C=O)=CC[C@H]2/C(C)=C\CC=C(C)C)[C@@H]1C	85908445	MKCNQEVJTWJBPS-ZPCNDAKOSA-N	358.478	4.207	50	1	FIGF	
CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccc(O)cc2)o1	95583441	IQBINJPDEHSJSO-CZTLLUBRSA-N	369.425	4.242	50	1	FIGF	
CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1cccc2ccccc12	1772612516	ARAFFRIDZIWKNQ-FMIFNLOCSA-N	368.436	4.345	50	1	FIGF	
COc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1O	33333086	LLCTYHPKUHJJFN-UUYOSTAYSA-N	360.369	4.064	50	3	FIGF	
CC(C)(C)[Si](C)(C)ONC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	473153588	BRMWYSDXQSQBPP-UHFFFAOYSA-N	364.396	4.280	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)Br)O2	587376779	YBBAEYLUMJHQBL-SGTLLEGYSA-N	360.251	4.221	50	1	FIGF	
Cc1ccccc1-n1c(CCl)nc2ccc(Br)cc2c1=O	1626369	CNSVUXFMSQHKRI-UHFFFAOYSA-N	363.642	4.195	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CBr)c1F)O2	587384696	IHKOPUTVIPLJJX-HNNXBMFYSA-N	364.214	4.318	50	1	FIGF	
CN1CCC[C@H](C/N=C2\Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	40375254	ZYIBEVOITKZFJA-MIQLPHMESA-N	356.473	4.156	50	1	FIGF	
COc1cccc([C@@]2(CCCCCl)NCCc3c(C(=O)O)cccc32)c1	963124031	PGLAFIWEZGZIIS-OAQYLSRUSA-N	373.880	4.192	50	1	FIGF	
CC[C@@H](OO)[C@@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	231929719	ZXMQUTOSCPQVII-VFGLEENGSA-N	356.459	4.360	50	1	FIGF	
CC/C=C\C[C@@H](OO)[C@@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1	231929730	OQTORMRWKPKCSO-GYPMEDKASA-N	356.459	4.360	50	1	FIGF	
C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OCC)C1)CCN2C	238730662	VRGSMYCUMKUHGF-XJOADTRWSA-N	352.478	4.261	50	1	FIGF	
CCOC(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101733	LYERNALEJHSUBR-GOSISDBHSA-N	351.789	4.289	50	1	FIGF	
Fc1ccc([C@H]2OO[C@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1	38158848	CPVSDXYEYMLITN-OKZBNKHCSA-N	350.317	4.253	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2ccc(CCO)cc2[nH]1	586973600	MCAVFTQNQGVPPT-GFCCVEGCSA-N	359.267	4.144	50	1	FIGF	
CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587372322	KGGPGKCNQSWTHW-HXUWFJFHSA-N	374.868	4.078	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@]2(CBr)CC[C@@H]1CCCO1	963034358	YPTGGAHXPZHUHC-BBRMVZONSA-N	358.345	4.060	50	1	FIGF	
COc1c(OC/C=C(\C)C/C=C/C(C)(C)OO)ccc2ccc(=O)oc12	85969006	KTRDAVKVFFNWMB-IVLLVJITSA-N	360.406	4.341	50	1	FIGF	
C=CC[n+]1c(-c2ccc(C)cc2)csc1NNC(=O)Nc1ccccc1	1958655	GKVQPULIJSRZGF-UHFFFAOYSA-O	365.482	4.346	50	3	FIGF	aggregator
CCCCCCCCCC[C@](C)(O)c1cc(OC)c(COO)c(=O)o1	238768501	AHKKIWBCTDQGQS-IBGZPJMESA-N	356.459	4.376	50	1	FIGF	
CCOC(=O)Cc1c(CCl)nc2cccc3c2c1-c1ccccc1C3=O	587101261	FKMOIKWBHBGHOO-UHFFFAOYSA-N	365.816	4.291	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@@]2(CBr)c1ccc(F)cc1F	963025726	OVDYRINTIVTBLP-INIZCTEOSA-N	372.278	4.427	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)/C=C\[C@@H](Cl)[C@@H](O)C/C=C\CCCC(=O)O	14923522	BEZAFRRJMXICCZ-YRZPKIBNSA-N	370.917	4.376	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CCCl)CCCl	587547346	ZOBCPOGFDGVNAQ-OAHLLOKOSA-N	367.228	4.350	50	1	FIGF	
CC[C@@H](O)C=CC=CCC=CCC=CC=C[C@H](CCCC(=O)O)OO	2356463706	JIOJPWROWDJRKM-RTBURBONSA-N	350.455	4.432	50	1	FIGF	
C/C(C=O)=C\CC/C(C)=C/CCC1=C[C@H](c2cc(O)ccc2O)OC1=O	1772652532	VZNDEMRUYRRNFX-FWYWOBOUSA-N	356.418	4.274	50	1	FIGF	
C=C(c1ccccc1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1	43491115	IDFGEBVHUDMTDG-ZQRQZVKFSA-N	358.434	4.197	50	1	FIGF	
CC1(C)C=C2C(=NN(c3cccc(Oc4ccccc4)c3)C(N)=C2C#N)CO1	13838694	RWRZEGCJGMTLRU-UHFFFAOYSA-N	372.428	4.084	50	1	FIGF	
CC(C)=CCC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12	238774892	PVWNALVHQUKYII-RPZLJYRGSA-N	352.902	4.078	50	1	FIGF	
CC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587372383	KVUIWFLBCLSSAE-RBZFPXEDSA-N	374.868	4.213	50	1	FIGF	
O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@H]1Cl	42888080	HAYTWGXBZPKSAY-HSUMWKLJSA-N	354.661	4.040	50	1	FIGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(F)(F)F)N1	587707704	WHNITMSNYZKBIE-UPONEAKYSA-N	360.576	4.119	50	1	FIGF	
O=C(N/N=C/c1cccnc1)c1cc(-c2cccs2)nc2ccccc12	3343401	MHSMZODRCUAHKD-LPYMAVHISA-N	358.426	4.122	50	3	FIGF	
CCOC(=O)/C(C#N)=C/c1ccccc1C#Cc1cc(Cl)ccc1OC	587901786	SQJOBFDQAJQJCB-LDADJPATSA-N	365.816	4.218	50	1	FIGF	
CCOC(=O)[C@]1(CCCCCCCl)NCCc2ccc(F)c(C)c21	962295372	DFOCXZNOLCEKNO-LJQANCHMSA-N	355.881	4.228	50	1	FIGF	
CCOC(=O)/C(C#N)=C/c1cn(Cc2cc(F)cc(F)c2)c2ccccc12	2382239391	AWESTSVRDKNDOJ-OQLLNIDSSA-N	366.367	4.438	50	1	FIGF	
CC/C=C/C=C/[C@H]1C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102182857	RLEJYTIPIQLNLV-UQQDUVQBSA-N	356.459	4.360	50	1	FIGF	
Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2[C@H](C)Cl	963842484	XMFVOMPVXPYPFO-QEORTHHSSA-N	367.873	4.300	50	1	FIGF	
COc1ccc(CCCCl)c(C2=NCCc3cc(OC)c(OC)cc32)c1	1650695	YUZSMYLLIZWTRW-UHFFFAOYSA-N	373.880	4.277	50	1	FIGF	
CCCCC/C=C/C[C@@H]1/C(=C/[C@@H](CCCC(=O)O)OO)[C@@H]2C[C@H]1OO2	102182809	RMDWPORTSLRMPB-PQFPZSHFSA-N	354.443	4.271	50	1	FIGF	
CC(=O)O[C@H]1[C@@]2(C)CC=C(C=O)[C@]1(C=O)[C@H]([C@H](C)CCC=C(C)C)CC2	238756267	YLGPLXTVQZAQIC-MSOXQGRFSA-N	360.494	4.431	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587187141	CVPMPULSJWOGPZ-IZZDOVSWSA-N	369.178	4.298	50	1	FIGF	
Cc1cc(/C=N/NC(=O)CCc2cn(C)c3ccccc23)cc2cccnc12	115596702	YCEOSZQJHBSJTP-AFUMVMLFSA-N	370.456	4.118	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(CCl)c(C#N)c3ccccn13)O2	587374655	IPYMVYOGAXMNDU-GOSISDBHSA-N	365.820	4.147	50	1	FIGF	
C[C@@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587325329	XMXYOLTWAVHBMR-RHSMWYFYSA-N	355.192	4.453	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)CCCl)O2	587372835	AVAQZWDKVLMWJR-HXUWFJFHSA-N	372.852	4.025	50	1	FIGF	
O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12	587644262	RWVFPJTUOGPKRK-UHFFFAOYSA-N	374.194	4.077	50	1	FIGF	
ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1	40892583	WCOBILHKIXKZCD-UHFFFAOYSA-N	350.934	4.145	50	1	FIGF	
Cc1cnc2ccc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)cc2c1	115597144	JYCJXBCHYSPVIY-AFUMVMLFSA-N	370.456	4.347	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O	587424793	VDXMTJPOJIEGCW-MGPUTAFESA-N	360.812	4.333	50	1	FIGF	
Clc1ncc(Br)c2nc(CCCCBr)[nH]c12	586971932	ARDOMZAGYOUBMN-UHFFFAOYSA-N	367.472	4.091	50	1	FIGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Cl)cc(Cl)c1	13586142	VMZILRVZGXYOAH-KRWDZBQOSA-N	360.244	4.278	50	1	FIGF	
C=C(c1ccccc1)[C@H]1COC2(CCC(O)(c3ccccc3)CC2)OO1	43491135	FHSHXRQVWQCBSN-ITAUSPCMSA-N	352.430	4.205	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1Cc3ccccc31)O2	587374157	OIMBUKFWUJGPNR-BEFAXECRSA-N	372.262	4.016	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccccc1	587545735	SGTLMRXDCQLNJS-RXVVDRJESA-N	366.800	4.488	50	1	FIGF	
FC(F)(F)c1cc(Br)cc2nc(CBr)[nH]c12	586972571	WXBPWGFIDCAANE-UHFFFAOYSA-N	357.955	4.239	50	1	FIGF	
C[C@@H]1C[C@H]2C[C@]3(C)O[C@H]3[C@]3(C)OOC(C)(C)C3=CC[C@@]3(C)CC[C@@]1(O2)O3	2356421722	RWEUYQYDWXAWCX-HKSSIALESA-N	364.482	4.054	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@@H]2[C@@]3(C(=O)Nc4ccccc43)[C@@]21C#N	2356714588	CLXKBATYSCEAQF-WZOOKJDPSA-N	352.865	4.412	50	1	FIGF	
Cc1cc(C)c([C@@]2([C@H](C)Cl)NCCc3c(C(=O)O)cccc32)cc1C	963120299	GIGASQGGGJHMFI-BTYIYWSLSA-N	357.881	4.327	50	1	FIGF	
O=C(CCCCCCC(=O)Nc1ccccc1O)NN=C1CCCCCC1	95809338	NSYJNUVILRHMTB-UHFFFAOYSA-N	373.497	4.498	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1	586974271	UPYIBQNNBJUDBV-MGPLVRAMSA-N	373.254	4.333	50	1	FIGF	
CCO/C=C(\C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587333713	HEDSTCMSHWBJBP-QGCVTKAXSA-N	367.376	4.093	50	1	FIGF	
CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@@](C)(Br)[C@@H](Cl)C1	2356431171	FEQAISWHFUFFRA-OSRDXIQISA-N	353.728	4.016	50	1	FIGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccc(F)cc4)cc3)[nH]c12	299830405	VDUFEMDZFHBGCW-ZMOGYAJESA-N	372.403	4.441	50	1	FIGF	
C=C1CC[C@]2(N=C=O)[C@H](C)CC[C@@H]3[C@H](C)C[C@H](CC(C)(C)NC=O)[C@H]1[C@@H]32	2356793927	HQOOOYBCJOKAIX-CHRJYMETSA-N	358.526	4.260	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)[C@H](Br)C[C@H]12	61946585	LQLVHJDLPXFYPF-XSPGUGMASA-N	371.359	4.124	50	3	FIGF	
C/C(=N\NC(=O)Nc1nc2ccc(Cl)cc2s1)c1ccc(O)cc1	28823184	QZNIYPHPPMZJMB-AWQFTUOYSA-N	360.826	4.201	50	1	FIGF	
Cc1ccc2c3c(cc([C@@H](Br)C=O)nc13)-c1ccccc1C2=O	586993018	HFUZLAYNSYWXSN-HNNXBMFYSA-N	366.214	4.390	50	1	FIGF	
NNC(=O)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12	28765760	XDTUQVKBDMTVMK-UHFFFAOYSA-N	373.378	4.491	50	1	FIGF	
C[N+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	40434026	MSFDRSZROUKKAE-ZMFCNJQGSA-N	373.456	4.405	50	1	FIGF	
C[C@@]1(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC2(CCCCC2)OO1	42852537	SIGWTPURUMONFW-XWYJBKDPSA-N	361.526	4.379	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)O)c2[nH]1	586974287	UYHGBLMCLHZTBA-SNVBAGLBSA-N	359.223	4.308	50	1	FIGF	
CCCCCc1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12	587648415	DOZMCIDAAKAGMR-UHFFFAOYSA-N	358.301	4.199	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(F)(F)F)N1	587707700	WHNITMSNYZKBIE-KBUNVGBDSA-N	360.576	4.119	50	1	FIGF	
COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)[nH]c1C)N(C)[C@@H](C)C2	962615950	ASTNALWRYQKQMX-RNODOKPDSA-N	362.901	4.008	50	1	FIGF	
C=CCC[C@]1(CBr)c2cc(OC)c(OC)cc2C[C@H](C)N1C	962636580	SNDAULGEVBLZQF-UGSOOPFHSA-N	368.315	4.137	50	1	FIGF	
CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)O	2356695998	FGFQWRWPERZHEJ-FLTUCWPJSA-N	360.567	4.418	50	1	FIGF	
CCC[C@H]1C(C#N)=C(SCc2cccc([N+](=O)[O-])c2)NC(C)=C1C(C)=O	2462497	CPUZYIAOIFNBRK-INIZCTEOSA-N	371.462	4.446	50	1	FIGF	
CS(=O)(=O)c1ccc(-c2[nH]c(SC#N)cc2-c2ccc(F)cc2)cc1	13743566	YSDXJYVHLQVWIJ-UHFFFAOYSA-N	372.446	4.464	50	1	FIGF	
CC(=O)OC[C@H]1/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C	40916914	SYFAUKOFHTVEDD-ZWLOZJGOSA-N	362.510	4.391	50	1	FIGF	
C=C1CC[C@H]([C@]2(C)CC[C@H](Cl)C(C)(C)O2)[C@@H]2[C@@H]1CC[C@](C)(O)[C@@H]2NC	2356831344	JOHOKXKBKWJAJH-VDBGNAEESA-N	369.977	4.273	50	1	FIGF	
CC1(C)C=C[C@H](O)[C@](C)([C@@H]2CC[C@](C)(Cl)[C@H](Br)C2)O1	2356748085	SMPLCEQWPNQHKL-MUGBGTHKSA-N	351.712	4.032	50	1	FIGF	
O=C(NN/C=C1/C=CC=N1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	15953170	AJPXXLBKPCWSKD-SSZFMOIBSA-N	374.831	4.272	50	3	FIGF	
COc1ccc2[nH]cc(/C=C(\C#N)c3cc(OC)c(OC)c(OC)c3)c2c1	299870737	WWXNNEJZWJHCMW-VGOFMYFVSA-N	364.401	4.266	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\Cl)(CCl)N1	587689840	WXZOVESICQJJKG-ICXQWFBASA-N	353.062	4.309	50	1	FIGF	
CSc1nc(NC2CC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1	13589886	VFNPBGNFXDPYGR-AWEZNQCLSA-N	359.886	4.103	50	1	FIGF	
CC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587374654	ZEXXJEIAFWYBMQ-FKIZINRSSA-N	372.852	4.024	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(CBr)c1)O2	587385022	LCODCNRMZQJYPF-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
Cc1c(/N=N\C(C#N)=C(/O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	102658280	VEZYLHFKSMEEDS-INUOOHOSSA-N	359.389	4.019	50	1	FIGF	
CCC=CCC=CC[C@H](O)C=C[C@H](Cl)[C@@H](O)CC=CCCCC(=O)O	2356321564	BEZAFRRJMXICCZ-FHWLQOOXSA-N	370.917	4.376	50	1	FIGF	
COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)[nH]c1C)N(C)[C@H](C)C2	962615954	ASTNALWRYQKQMX-ZUOKHONESA-N	362.901	4.008	50	1	FIGF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(C(C)(C)OC)N1	962943252	GFMLCNMZGRSNKC-XIKOKIGWSA-N	365.315	4.107	50	1	FIGF	
CCOC(=O)OCC[C@@]1(C)C[C@@H](O)CC[C@@H]1O[Si](C)(C)C(C)(C)C	196926058	BMOGLFMOWTUGRQ-MPGHIAIKSA-N	360.567	4.491	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	586974272	UPYIBQNNBJUDBV-QFYYESIMSA-N	373.254	4.333	50	1	FIGF	
CCN(CCCl)CCNc1c2ccccc2nc2ccc(OC)cc12	27766772	VKACZVZTIKPEBG-UHFFFAOYSA-N	357.885	4.369	50	1	FIGF	
CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@](C)(Br)[C@@H](Cl)C1	2356431169	FEQAISWHFUFFRA-DHMWGJHJSA-N	353.728	4.016	50	1	FIGF	
Cc1cc(Cl)ccc1CNC(=O)C[C@@]1(C)CC2(CCCCC2)OO1	49722850	GHYWYVGVFWHSEA-SFHVURJKSA-N	351.874	4.468	50	1	FIGF	
CCOP(=O)(OCC)[C@@H]1C(C#N)=C(N)Oc2c1cccc2C(C)(C)C	103249382	LNUXYXBISGXRJP-INIZCTEOSA-N	364.382	4.378	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1	586971214	OZUIFEYPENNPQO-QMMMGPOBSA-N	353.047	4.126	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4cccc(C)c14)[C@@H](C2)C3=O	587423180	SZFGJFAJSIJUQK-LHSJRXKWSA-N	367.832	4.367	50	1	FIGF	
COc1cccc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)n1	963101485	BONRWQVQMPZSBH-INIZCTEOSA-N	357.668	4.025	50	1	FIGF	
CC(C)=CCC[C@@]1(C)[C@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]2(C)[C@@H](O)C[C@H]1Cl	2356560070	RPDLIZRMSAIARM-NXZWVFBWSA-N	354.918	4.029	50	1	FIGF	
C=C[C@]1(C)CC[C@@]2(O1)C(C=O)=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C	85694123	KIFHEGOOWBXPAC-WQIFRTTPSA-N	360.494	4.384	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCCl)c(F)c1	587916766	TUFPWIQPKPVJDP-UHFFFAOYSA-N	366.219	4.455	50	1	FIGF	
Cc1nn(CCCl)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587497102	HCUUAMWAJHQQTM-GOSISDBHSA-N	358.869	4.324	50	1	FIGF	
CN1CCC(N(C)C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1	53228028	AGVFVKJHIHBWLY-YBFXNURJSA-N	356.473	4.060	50	1	FIGF	
Cc1ccc2cc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)ccc2n1	115598645	WOEHUJPLJHLQKB-ZVHZXABRSA-N	370.456	4.347	50	1	FIGF	
Clc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1	586972386	OVUISXAEVOHSCD-UPHRSURJSA-N	350.441	4.387	50	1	FIGF	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3CBr	586983660	AQYAKVPQOWCPLY-VIFPVBQESA-N	366.214	4.186	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@H](C)Cl)[C@@H](C2)C3=O	587417774	QAVXACDQYGAOMR-DQLGPHAMSA-N	367.832	4.447	50	1	FIGF	
CCCCCCCC(=O)O[C@@H](CBr)COC(=O)C(C)(C)C	73293261	LETSCFJOIJFRKL-ZDUSSCGKSA-N	365.308	4.243	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	103197496	PUANDXJMFDLSLQ-RUSOHIBLSA-N	352.471	4.345	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H](C1)[C@@H]2Cl	587551237	YWBDQNOSHDOLGP-DPKNTYEUSA-N	356.805	4.130	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103105956	SHZUNUYDQNHQJR-UIDINZOYSA-N	360.450	4.273	50	1	FIGF	
CCOc1ccccc1C(=O)N(NC(=O)c1ccc(CC)cc1)C(C)(C)C	103197577	NPXDFDFFVQHAGH-UHFFFAOYSA-N	368.477	4.233	50	1	FIGF	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1	102442207	IUMKPFCRMBPHLS-SFHVURJKSA-N	368.458	4.171	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](C(=O)Cl)(c1ccc(F)cc1)CC2=O	587466694	MDPNUBISNAILHB-LJQANCHMSA-N	362.784	4.110	50	1	FIGF	
CN(C)c1ccc(/C=C(\C#N)c2ccccc2I)cc1	84655549	FCBGTWRMWGKJKF-SDNWHVSQSA-N	374.225	4.421	50	1	FIGF	
CC(C)c1ccc(OC[C@]2(CCl)NCCc3c(C(=O)O)cccc32)cc1	963124570	RPTFVCATDYEATN-NRFANRHFSA-N	373.880	4.167	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](C[C@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@H]1CC[C@@H]2O	2356617373	BCXBBIBUUYCTPJ-BVDZHGLFSA-N	361.353	4.330	50	1	FIGF	
CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)C(C)=CC[C@@H]2[C@]1(C)CC[C@@H](Cl)C(C)(C)O1	2356875510	ZQYQKLPRNZYAFJ-CAKNGTBZSA-N	369.977	4.273	50	1	FIGF	
Cc1nc(Nc2ccc3oc(=O)ccc3c2)nc(Cl)c1CCCl	72116665	FCSJWYUVCFYSIQ-UHFFFAOYSA-N	350.205	4.070	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](Cl)N=O)O2	587374439	XZYGAWLQQCMYKY-SJORKVTESA-N	365.216	4.423	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)([C@@H](C)Cl)[C@@H](C2)C3=O	587426169	MENVBCOYMPCFEB-KLSHDWIQSA-N	364.775	4.244	50	1	FIGF	
C=C1C[C@H]2C3=C(OC(C)(C)[C@@H]2C[C@@H]1OO)C(=O)C(CCCCC)=CC3=O	1857654912	VFGSBRWYCOXSIM-INMHGKMJSA-N	360.450	4.148	50	1	FIGF	
O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1	103196299	UZTOYJLAVZZMPY-JKSUJKDBSA-N	358.825	4.358	50	1	FIGF	
O=C1C[C@@](CCl)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1	587496230	CEIRMLQCHGWUKD-HXUWFJFHSA-N	358.821	4.076	50	1	FIGF	
COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@@H]2CCl)cc1OC	1634768	GGIVBKRXKGZZFT-ORAYPTAESA-N	364.825	4.177	50	1	FIGF	
Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1	64353909	YMEFBCKBSHNWMX-FQEVSTJZSA-N	352.397	4.219	50	1	FIGF	
COC(=O)c1ccccc1SSc1n[nH]c(-c2ccc(C)cc2)n1	103213184	XPJMZTNWFXJPCU-UHFFFAOYSA-N	357.460	4.366	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(CCl)c(C#N)c3ccccn13)O2	587374657	IPYMVYOGAXMNDU-SFHVURJKSA-N	365.820	4.147	50	1	FIGF	
O=C(CS[C@H](Cl)C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12	587279833	CNWJLBHNTBRLCU-NSHDSACASA-N	353.705	4.384	50	1	FIGF	
CSc1nc(NC2CC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1	13589885	VFNPBGNFXDPYGR-CQSZACIVSA-N	359.886	4.103	50	1	FIGF	
N#C/C(C(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1)=C(/O)C1CC1	100784955	XFBONBVMCONRIC-ZPHPHTNESA-N	366.804	4.255	50	1	FIGF	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cl)CCl)nc2c1	587008238	MMAYIRGFUOLCAA-MRVPVSSYSA-N	366.042	4.021	50	1	FIGF	
O=c1c2ccccc2sc2cc(OC[C@H](S)CCl)cc(O)c12	198496422	KADRWUVLKYBXNL-SNVBAGLBSA-N	352.864	4.036	50	1	FIGF	
O=C1c2ccc(O)cc2OC(CCl)(CCl)[C@H]1c1ccc(F)cc1	587325169	CILCQQDEZNASNL-HNNXBMFYSA-N	355.192	4.107	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ccncc13)CC2=O	587462276	XCFUCRYMXRANHZ-FQEVSTJZSA-N	370.836	4.321	50	1	FIGF	
COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCCl)cc1	587649214	LXMHVUPKXRDIRQ-UHFFFAOYSA-N	363.866	4.028	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@]4(C)C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@]2(C)O	2356330877	CETKWEWBSMKADK-WNTIXKCJSA-N	357.494	4.247	50	1	FIGF	
Cc1ccc([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1	58575330	YMEFBCKBSHNWMX-HXUWFJFHSA-N	352.397	4.219	50	1	FIGF	
COc1ccc([C@@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587373993	FQHJTFNEPWFRQZ-HXUWFJFHSA-N	359.853	4.466	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)Br)O2	587376781	YBBAEYLUMJHQBL-XIKOKIGWSA-N	360.251	4.221	50	1	FIGF	
C[C@]1(CC(=O)NCc2ccc(-n3cccc3)cc2)CC2(CCCCC2)OO1	49710156	CTMOQHUPHGXYSR-NRFANRHFSA-N	368.477	4.297	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Nc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	44157081	HXFTZKBKSBSNIX-USQNQNMXSA-N	359.466	4.307	50	1	FIGF	
CC(C)(NC(=O)CCl)c1nc2c3ccccc3c3ccccc3c2[nH]1	587009426	FJQFBIPWIIBPCP-UHFFFAOYSA-N	351.837	4.459	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O	587451822	ZYTRVCDLDCQQMM-HNAYVOBHSA-N	371.845	4.206	50	1	FIGF	
O=C(CN1CCC(Cc2ccc(N=C=S)cc2)CC1)c1ccc(O)cc1	29045641	QRRWZRWYDBHGIU-UHFFFAOYSA-N	366.486	4.264	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@@H](C)Cl)[C@@H](C2)C3=O	587417775	QAVXACDQYGAOMR-JSKPFOEOSA-N	367.832	4.447	50	1	FIGF	
CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)O)[C@H]2C[C@H]1OO2	2356709643	NTAYABHEVAQSJS-LTFXXXRZSA-N	354.487	4.244	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)/C=C\[C@@H](Cl)[C@H](O)C/C=C\CCCC(=O)O	13385878	BEZAFRRJMXICCZ-GESADZHCSA-N	370.917	4.376	50	1	FIGF	
Cc1ccc(/C=C(\C#N)c2nc3c(C)c(Br)cnc3[nH]2)cc1	587188648	UWSSNGVBGYCPSA-NTUHNPAUSA-N	353.223	4.401	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)c(Cl)c1)O2	587382576	SJTGWBFTOLTVOY-QGZVFWFLSA-N	354.208	4.469	50	1	FIGF	
O=C1CS[C@@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@H]1Cl	42888083	HAYTWGXBZPKSAY-JXRIXABVSA-N	354.661	4.040	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC(C)(C)C)[C@@H]1Cl	587461269	LNOXSRWBJCKSAA-VDZJLULYSA-N	352.858	4.244	50	1	FIGF	
Cc1ccc2c3c(cc(C(=O)CBr)nc13)-c1ccccc1C2=O	586992887	FPVWXFZUHMOZKH-UHFFFAOYSA-N	366.214	4.332	50	1	FIGF	
FC(F)(F)C(F)(F)c1cc2nc(/C=C/CBr)[nH]c2cn1	586973949	PJBVYVGVKQZDMP-OWOJBTEDSA-N	356.092	4.020	50	1	FIGF	
C[C@](O)(C=CCl)[C@@H](Cl)C=C[C@@](Cl)(CCl)CBr	2356404705	VEKFWVZYABZACU-GUBZILKMSA-N	370.929	4.265	50	1	FIGF	
CC(=O)O[C@@H]1OC(=O)[C@H](CCC=C(C)C)[C@@H]2CCC(C)=CCC=C(C=O)[C@H]12	2356664194	LUXFGIHVUNJRSK-CUXKYVRBSA-N	374.477	4.283	50	1	FIGF	
C[C@@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587571436	KRJIUDOKLIRYLC-KNQAVFIVSA-N	373.364	4.237	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(F)cc1F)[C@@H](C2)C3=O	587424770	UMPYQHOYFSDRTF-ORAYPTAESA-N	364.775	4.164	50	1	FIGF	
CC1(C)C=C2C(=NN(c3ccc(Oc4ccccc4)cc3)C(N)=C2C#N)CO1	13838696	CSWZWUWIDOQTNI-UHFFFAOYSA-N	372.428	4.084	50	1	FIGF	
Cc1cc(=O)c(O)c([C@H](O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	1857656141	YXRKHKVOVIGIHA-LLVKDONJSA-N	358.284	4.393	50	1	FIGF	
CC[C@@H]1[C@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO	102183060	MJUWCOUUJKOCJT-UVLOFNSVSA-N	356.459	4.050	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCO3)CC2=O	587459987	JWHWZARYWRDHHI-OAQYLSRUSA-N	372.848	4.379	50	1	FIGF	
CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)C(C)=CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1	2356875512	ZQYQKLPRNZYAFJ-PITAUUNKSA-N	369.977	4.273	50	1	FIGF	
CC(C)[C@]12/C=C/[C@](C)(O)CC/C=C(\CO)CC[C@H](Cl)[C@](C)(CC1)O2	199852537	OPJKSHMXGJAOQC-UQQBDNORSA-N	356.934	4.358	50	1	FIGF	
CC(=O)O[C@@H]1CC(=O)[C@H]([C@@H]2C(C=O)=CC[C@H]2C(C)=CCC=C(C)C)[C@H]1C	2356514775	MKCNQEVJTWJBPS-NIXKLGBSSA-N	358.478	4.207	50	1	FIGF	
CCCNc1c(C(=O)OC)cnc2c1cnn2C[C@@H](Cl)c1ccccc1	13675412	VJKTUFLYYTYXAH-MRXNPFEDSA-N	372.856	4.020	50	1	FIGF	
CCCCCCCCCC[C@@](C)(O)c1cc(OC)c(COO)c(=O)o1	2356428173	AHKKIWBCTDQGQS-LJQANCHMSA-N	356.459	4.376	50	1	FIGF	
CC(=O)OC1=C(/C=C/c2ccccc2)Oc2ccccc2C1=C(C#N)C#N	72110363	LJBXCBJZWYOUND-VAWYXSNFSA-N	354.365	4.368	50	1	FIGF	
C[C@]12CCC(=O)C=C1[C@H](Br)C[C@@H]1[C@@H]3CCC(=O)[C@H]3CC[C@@H]12	299805779	DBVWYQFZUUZZQG-GIFWXEJBSA-N	351.284	4.071	50	1	FIGF	
COc1cc2c3c(c1)O[C@H](c1ccc(OCCCCl)cc1)[C@@H](C2)C3=O	587423635	VAXZAWYGKZVNGG-OXJNMPFZSA-N	358.821	4.192	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cccc4cc[nH]c14)[C@@H](C2)C3=O	587423202	UACHPAFWZMSKAU-MGPUTAFESA-N	353.805	4.058	50	1	FIGF	
CC[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21	587674293	VVTZBTAWOOTRMH-OQPBUACISA-N	365.084	4.123	50	1	FIGF	
COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1ccc(Cl)cc1	963640611	WSRUFPSVSZZYSP-HXPMCKFVSA-N	366.288	4.374	50	1	FIGF	
C=C1CCC=C(C(=O)O)C[C@H](OC(=O)C(C)=CC)CC(C)(C)C[C@@H]1OO	2356422834	KJIICKUZOTZGRS-IRXDYDNUSA-N	366.454	4.280	50	1	FIGF	
N#C/C(=C(/N)Sc1ccc(N)cc1)c1cccc([C@H](O)c2ccccc2)c1	38145387	SUBKLVYLTHFDKG-JBCNATCCSA-N	373.481	4.294	50	1	FIGF	
C1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1	169321463	DTRBZKIMHHKXIW-UHFFFAOYSA-N	363.498	4.174	50	1	FIGF	
CC/C=C\C[C@H](OO)[C@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1	231929737	OQTORMRWKPKCSO-PBVKDFNFSA-N	356.459	4.360	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)([C@@H](C)Cl)O2	587382148	OPKYWVKOTKOOBO-MLCYQJTMSA-N	351.780	4.343	50	1	FIGF	
Fc1cc(Br)cc2nc(CCCCBr)[nH]c12	586971921	AQBGCBCMBAPWOB-UHFFFAOYSA-N	350.029	4.182	50	1	FIGF	
CC[C@@H](OO)[C@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	231929725	ZXMQUTOSCPQVII-LIAUFBODSA-N	356.459	4.360	50	1	FIGF	
COc1cc2c3c(c1)OC1([C@@H](Cl)CCCCC[C@@H]1Cl)[C@@H](C2)C3=O	587423360	XOJJJPUMLIBDEN-QEJZJMRPSA-N	355.261	4.360	50	1	FIGF	
CC(C)(NC(=O)CCl)c1nc2ccc(Sc3ccccc3)cc2[nH]1	587009419	FBDPPIAJBMZIIS-UHFFFAOYSA-N	359.882	4.304	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1	587188262	QJBXCHLMSZUZAO-IZZDOVSWSA-N	368.190	4.088	50	1	FIGF	
N=C(CCl)NCCCc1ncc(-c2cccc(-c3ccccc3)c2)[nH]1	1857567960	CIUJUXIRJKCLNI-UHFFFAOYSA-N	352.869	4.482	50	1	FIGF	
O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@H](Cl)C[C@H]1Cl	299806653	HAYTWGXBZPKSAY-OTPXZMOZSA-N	354.661	4.040	50	1	FIGF	
O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccco1	299835993	XLRBUHWHJRZVHD-UHFFFAOYSA-N	372.380	4.281	50	1	FIGF	
Cc1cc(Cl)cc(C(=O)NNCc2ccccc2)c1NC(=O)C(C)(C)C	103210027	WTZSFFZVLLPEDJ-UHFFFAOYSA-N	373.884	4.068	50	1	FIGF	
C/C=C/[C@@H]1C[C@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1	102182900	AYJPVJZMJVVOFU-OXNOKASUSA-N	356.459	4.360	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@@H](C)Cl)[C@@H](C2)C3=O	587417776	QAVXACDQYGAOMR-VNBSIWGGSA-N	367.832	4.447	50	1	FIGF	
C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@H](O)[C@H](Br)C[C@H]3[C@@H]21	13651522	ZHJMBYOGCJWPTK-GIXKKARUSA-N	365.311	4.229	50	1	FIGF	
CC/C=C/C=C/[C@@H]1C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102182858	RLEJYTIPIQLNLV-PZFLYKDLSA-N	356.459	4.360	50	1	FIGF	
CCOC(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101735	LYERNALEJHSUBR-SFHVURJKSA-N	351.789	4.289	50	1	FIGF	
COc1ccc2c([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1	587373576	RKLIHLRQDRBOJU-FQEVSTJZSA-N	370.836	4.167	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1Cc3ccccc31)O2	587374159	OIMBUKFWUJGPNR-HNAYVOBHSA-N	372.262	4.016	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](C)Br)O2	587412114	HEIYDWSGYCOYIZ-MGPLVRAMSA-N	366.280	4.283	50	1	FIGF	
Cc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1	587375107	QYUXVNGYRMPZRM-SFHVURJKSA-N	360.251	4.141	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CBr)(C1CCCCC1)[C@@H](C2)C3=O	587414468	VTSXOICWBALUEG-KBXCAEBGSA-N	365.267	4.157	50	1	FIGF	
CC(C)=CCC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]21)CO[C@@H]3O	2356560067	RPDLIZRMSAIARM-HHBCTJDESA-N	354.918	4.029	50	1	FIGF	
FC(F)(F)Oc1cc(Br)cc2nc(CBr)[nH]c12	586972390	OXVDZHGLMVRJNS-UHFFFAOYSA-N	373.954	4.119	50	1	FIGF	
CC(=O)OC[C@H]1/C(C=O)=C/C/C=C(/C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C	169290228	SYFAUKOFHTVEDD-NUPALUJDSA-N	362.510	4.391	50	1	FIGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccc2)c1	38145334	MZVYEYBNAXTIIP-VUZMPXBXSA-N	373.481	4.294	50	1	FIGF	
C/C(=N\NC(=O)c1cccc(Br)c1)c1cc2ccccc2[nH]1	95561090	GXVMSKJAQDPNIC-RGVLZGJSSA-N	356.223	4.084	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	100860658	NLJZTQSPHRUALZ-RUSOHIBLSA-N	352.471	4.201	50	1	FIGF	
CSc1nc(N2CCCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1	13589899	NRMPPRDOWQGHRJ-OAHLLOKOSA-N	373.913	4.129	50	1	FIGF	
CCOC(=O)c1ccc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)cc1	103288211	RZGIZOLBYVMYTP-KDHUCADRSA-N	351.874	4.031	50	1	FIGF	
CCc1ccc(CC)c([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c1	963120346	GUZNFXNJJWMLGQ-NRFANRHFSA-N	357.881	4.138	50	1	FIGF	
CCOc1cc(C(=CC#N)c2ccc(OC)c(OCC)c2)ccc1OC	580479	AIXOQQISNZECEU-UHFFFAOYSA-N	353.418	4.456	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CCCl)c1C)CC2=O	587460462	MTDVNHXCJUACLE-QGZVFWFLSA-N	362.857	4.103	50	1	FIGF	
Cc1oc(C(=O)O)cc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587500101	YKBIXAGONSBARY-FQEVSTJZSA-N	374.820	4.265	50	1	FIGF	
NNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccc(Cl)cc1	3654286	OGMUKSOTPDBIFD-UHFFFAOYSA-N	352.246	4.229	50	1	FIGF	
C[C@@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587325331	XMXYOLTWAVHBMR-WMLDXEAASA-N	355.192	4.453	50	1	FIGF	
CCCN[C@@H](c1cccnc1)P(=O)(c1ccccc1)c1ccccc1	95596668	ARFLILSZBOWHGT-OAQYLSRUSA-N	350.402	4.094	50	1	FIGF	
N#C/C(=C\c1cnc(=NCc2ccccc2)[nH]c1)c1nc2ccccc2s1	1857633380	CNFCEFACHMYBIA-LICLKQGHSA-N	369.453	4.184	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1Br)CC2=O	587459777	PPXOQHUBLMNMAD-DOTOQJQBSA-N	353.256	4.386	50	1	FIGF	
CC(=O)OC/C=C(\C)CC[C@@H](Br)C(C)(C)Br	5940626	JLQMVQMYEIHAPP-MXMFLMJRSA-N	356.098	4.213	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CBr)(C1CCCCC1)[C@@H](C2)C3=O	587414473	VTSXOICWBALUEG-KSSFIOAISA-N	365.267	4.157	50	1	FIGF	
C=C[C@@H](CBr)Nc1c2c(nc3ccc(OC)cc13)CCCC2	73162093	NRUOFFXMUJBBHF-LBPRGKRZSA-N	361.283	4.484	50	1	FIGF	
CC[C@H](Br)[C@]1(c2ccccn2)NCCc2cc(Cl)ccc21	963377743	DHRBTXQYBGVUDM-DOTOQJQBSA-N	365.702	4.298	50	1	FIGF	
C=CCCC1(CCP(=O)(c2ccccc2)c2ccccc2)OCCO1	1631820	SFWZFTVXMFJRHP-UHFFFAOYSA-N	356.402	4.100	50	1	FIGF	
NNC(=O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1	66078552	QZGOCDRFUFJJDQ-UHFFFAOYSA-N	367.452	4.479	50	1	FIGF	
CC(=O)N1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@@]21C	95552323	RRABGWPTOVXYPA-LJCDUQBNSA-N	352.478	4.137	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C)c(C)c1)O2	587373634	MOWOOIUXQPSJIT-IBGZPJMESA-N	374.278	4.450	50	1	FIGF	
CN1CCc2c(Br)cccc2[C@]1(C)c1cccc(N=C=O)c1	963280614	OASHKKGMYUSOHN-SFHVURJKSA-N	357.251	4.168	50	1	FIGF	
COc1cc(C(=O)N/N=C/c2ccc(/C=C/c3ccccc3)cc2)ccc1O	13864052	JEDZASCBCHAJIB-BWDZSQRCSA-N	372.424	4.335	50	1	FIGF	
Cc1cccc(NC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	2382221239	KXEPZJOVENUYMY-UDWIEESQSA-N	364.361	4.319	50	1	FIGF	
CC(=O)OC[C@@H]1/C(C=O)=C\C/C=C(\C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C	238783351	SYFAUKOFHTVEDD-JVGGWZKBSA-N	362.510	4.391	50	1	FIGF	
COC(=O)[C@@H]1C[C@@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2	195517134	JQPMCHOKNZDRBQ-DWRORGKVSA-N	356.579	4.271	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2ccc(OC(F)(F)F)cc2[nH]1	586971800	ZAWIXJQQJLBNOM-JTQLQIEISA-N	367.165	4.323	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)/C=C\[C@@H](Cl)[C@H](O)C/C=C\CCCC(=O)O	13385877	BEZAFRRJMXICCZ-LLBDBARYSA-N	370.917	4.376	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3	100860654	NLJZTQSPHRUALZ-KJSSNBPFSA-N	352.471	4.201	50	1	FIGF	
CC(=O)OC[C@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C	299807134	SYFAUKOFHTVEDD-AGOPTVSRSA-N	362.510	4.391	50	1	FIGF	
O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12	587643720	IWVFSOAONLQHNO-UHFFFAOYSA-N	374.194	4.077	50	1	FIGF	
Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1ccnc(CCl)n1	587939213	CNJTZHNGSSJIQP-UHFFFAOYSA-N	370.623	4.391	50	1	FIGF	
O=C(O)[C@@H]1c2ccc(Cl)c3c2CCN1[C@]31c2ccccc2CC[C@H]1Cl	962574066	PBNRTBXRVQQKTN-KPFFTGBYSA-N	374.267	4.135	50	1	FIGF	
COc1cc(/C=C/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1O	299823978	DBISVHKGCOIVAP-MHORGHPUSA-N	352.434	4.127	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc3nc(CCl)oc13)O2	587375737	OMXAGOLQGBQMEI-LJQANCHMSA-N	356.809	4.338	50	1	FIGF	
C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)C(=O)[C@@H](Br)C[C@H]3[C@@H]21	13651526	GJWBDYRIULZNFD-IVLFBUFLSA-N	363.295	4.437	50	1	FIGF	
Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C	29046476	ZJTYPGUYLZBCCX-UHFFFAOYSA-N	357.413	4.467	50	1	FIGF	
N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(C#N)cc1	59034390	GBWSWBIPLPDCSW-NXVVXOECSA-N	357.291	4.008	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](Br)C[C@@]43C)[C@@H]1CCC2=O	139685327	UAQVJEFBYRXVPW-YOTXKYLOSA-N	365.311	4.461	50	1	FIGF	
C=C1CC/C=C(/C(=O)O)C[C@@H](OC(=O)/C(C)=C\C)CC(C)(C)C[C@@H]1OO	238770261	KJIICKUZOTZGRS-VLUXJSMWSA-N	366.454	4.280	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2ccc(OC(F)(F)F)cc2[nH]1	586971802	ZAWIXJQQJLBNOM-SNVBAGLBSA-N	367.165	4.323	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cc3cn[nH]c3cc2[nH]1	586973116	FNSQYFFDCIZZSR-SNVBAGLBSA-N	355.239	4.486	50	1	FIGF	
CCOC(=O)/C(C#N)=C\c1ccc(C#Cc2cc(Cl)ccc2OC)cc1	587906244	WDIAZLSOCSSIAT-PDGQHHTCSA-N	365.816	4.218	50	1	FIGF	
CCCCNC(=O)c1ccc(C2OOC(c3ccc(CC)cc3)OO2)cc1	72175363	KLJNNENIOXQLCH-UHFFFAOYSA-N	371.433	4.386	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(Cl)cc1)O2	587409140	KNAWGSFQPCVSOP-SFHVURJKSA-N	358.850	4.306	50	1	FIGF	
O=C(N/N=C/c1ccccc1O)Nc1nc2c(ccc3ccccc32)s1	40913345	TXAIUCMVIHCBHF-RGVLZGJSSA-N	362.414	4.311	50	1	FIGF	
CC1=C(c2nc(C)cs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3	49793726	UWGPWVALMFOROD-ALBUTVIKSA-N	363.479	4.428	50	1	FIGF	
O=C(C[C@@H]1CC[C@@H](/C=C\C(=O)c2ccccc2)OO1)OCc1ccccc1	72178330	AMBLUZQNNGVSFX-CMNJNXTGSA-N	366.413	4.038	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)([C@@H](C)Cl)[C@@H](C2)C3=O	587428191	XTQYXIMVLNKTMJ-ZEBPJJPWSA-N	364.775	4.244	50	1	FIGF	
O=C(Nc1ccc(F)cc1)c1ccc(N(CCCl)CCCl)cc1	49756518	NZRMGYDVIOWIFT-UHFFFAOYSA-N	355.240	4.362	50	1	FIGF	
CCOC(=O)/C(C#N)=C\c1ccccc1C#Cc1cc(Cl)ccc1OC	587901787	SQJOBFDQAJQJCB-PDGQHHTCSA-N	365.816	4.218	50	1	FIGF	
Cc1ccc2[nH]c3c(c2c1)CCC(=C\c1cccs1)/C3=C(\C#N)C(N)=O	1857579422	BASPVPXDVSWOID-DFQGMUSMSA-N	359.454	4.330	50	1	FIGF	
CC(C)(O)/C=C/C[C@@](C)(O)[C@@H]1CC[C@@](C)(Br)[C@H](Cl)C1	140622641	FEQAISWHFUFFRA-LHKAJNKPSA-N	353.728	4.016	50	1	FIGF	
O=C1C[C@](C(=O)Cl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1	587507128	UKCZMRVYJYWEGY-HXUWFJFHSA-N	358.796	4.331	50	1	FIGF	
COc1cc2c(cc1O)[C@@H]1Cc3sc(C[C@@H](C)Cl)cc3CN1CC2	210436228	XIZKQKJWNKJOOA-BZNIZROVSA-N	363.910	4.288	50	1	FIGF	
CC1(C)COC2(CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)OC1	43470166	BHVFCJISZSRYKL-UHFFFAOYSA-N	364.482	4.157	50	1	FIGF	
N#CCCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1	95595268	XWUMIHJVMJIXPR-UHFFFAOYSA-N	361.385	4.121	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)[C@H](C)Cl)O2	587374609	YYRDNKXEBIVCLP-YUNKPMOVSA-N	372.852	4.024	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	586974270	UPYIBQNNBJUDBV-HWPZZCPQSA-N	373.254	4.333	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@](CCl)(c2cocn2)[C@H]1c1ccc(F)cc1	587329310	XSDOJWTZDVPFPS-PKOBYXMFSA-N	373.767	4.013	50	1	FIGF	
CCCCNc1ncnc2c1cnn2C[C@H](Br)c1ccccc1	13682943	WPIQFKYSDUYBQH-HNNXBMFYSA-N	374.286	4.175	50	1	FIGF	
CCOC(=O)C1=C(Nc2ccc(S(F)(F)(F)(F)F)cc2)OCC1=O	101701008	QCNHXCGLXOMXGP-UHFFFAOYSA-N	373.299	4.130	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)CCCCl	587541645	CNBHGLTZKJBXMX-QAPCUYQASA-N	367.228	4.350	50	1	FIGF	
C/C(CCC(=O)Nc1ccccc1)=N\NC(=O)c1ccc(-n2cccc2)cc1	1772636389	IYRKBHMTVNPYJP-JJIBRWJFSA-N	374.444	4.002	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](C[C@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2O	2356617374	BCXBBIBUUYCTPJ-GDLYOHBGSA-N	361.353	4.330	50	1	FIGF	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccc(C)cc3)o2)C1	95584072	OUDUVFXJRDTSSC-VBUUPXLYSA-N	365.437	4.455	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)CCCCl	587541646	CNBHGLTZKJBXMX-YJBOKZPZSA-N	367.228	4.350	50	1	FIGF	
CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2cccc(O)c2)o1	95585791	OVRULDBTHLAWPP-MZVCQSJQSA-N	369.425	4.242	50	1	FIGF	
Cc1ccc(NC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	2382216856	ASHUTKVKVHDXON-UDWIEESQSA-N	364.361	4.319	50	1	FIGF	
Nc1sc(-c2ccccc2)cc1C(=O)N/N=C\c1ccc(Cl)cc1	100493016	AGFXBPPYCNVSER-NHDPSOOVSA-N	355.850	4.415	50	1	FIGF	
Cc1cc2c(cc1F)[C@@](CBr)(c1ccc(Cl)o1)NCC2	962295495	DXIBBDUGOWUODZ-HNNXBMFYSA-N	358.638	4.165	50	1	FIGF	
Cc1cc2c(c3oc(CCCCl)cc13)C(=O)c1c(O)cccc1C2=O	473081262	BGHYQWJWOTXTJX-UHFFFAOYSA-N	354.789	4.394	50	1	FIGF	
O=C1c2ccc(O)cc2OC(CCl)(CCl)[C@@H]1c1ccc(F)cc1	587325170	CILCQQDEZNASNL-OAHLLOKOSA-N	355.192	4.107	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1N=C=O	587900755	RLBNQAKZVSDVQG-UHFFFAOYSA-N	362.610	4.478	50	1	FIGF	
CC[C@@H](OO)[C@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	102182877	ZXMQUTOSCPQVII-GKCPMKAUSA-N	356.459	4.360	50	1	FIGF	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	253633641	JYWMQCPLXKBVTF-VBCWIJRUSA-N	360.494	4.431	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)c1ccccc1)O2	587371757	FZAYFVAGFREUEO-MSOLQXFVSA-N	360.251	4.437	50	1	FIGF	
CN(C)c1ccc(/C=N/NC(=O)c2ccnc3ccccc23)c2ccccc12	13442495	BNZVIPLNSKRRGL-MFKUBSTISA-N	368.440	4.218	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(F)cc1O/C(C#N)=C/N(C)C	587917019	XEJSZLBWXZNISF-QGOAFFKASA-N	370.811	4.193	50	1	FIGF	
O=C/C=C/c1cccc(OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	29479902	AKXIQMPEXWZBKG-GQCTYLIASA-N	368.388	4.253	50	1	FIGF	
C[C@]12CCC(=O)C=C1[C@H](Br)C[C@@H]1[C@@H]3CCC(=O)[C@H]3CC[C@H]12	299805780	DBVWYQFZUUZZQG-JPJPRILASA-N	351.284	4.071	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	100863363	LIEYBQHAGMYZMJ-RFFSNWGISA-N	372.461	4.008	50	1	FIGF	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3o2)cc(OC)c1OC	103290749	OHHSRRABSMKMGW-WUXMJOGZSA-N	354.337	4.057	50	1	FIGF	
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCCl)ccc1-2	96927412	WSSAWDVNMQBQHC-UHFFFAOYSA-N	373.880	4.236	50	1	FIGF	
Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@@H]3c1ccc(Cl)cc1	103184866	NXGWUVNDJVQCOK-GOSISDBHSA-N	374.831	4.443	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C(Cl)Cl	587545573	RQFLRDQPWOCNBD-MLGOLLRUSA-N	373.619	4.135	50	1	FIGF	
CN1CCN(C2=Cc3cc(Cl)ccc3/C(=C\C#N)c3ccccc32)CC1	14953573	UJCYUJOQBXHJFH-DNTJNYDQSA-N	361.876	4.354	50	1	FIGF	in-vitro
C/C(=C/CO)CC/C=C(\C)[C@H]1CC=C(C/C=C/C(C)(C)OO)C(=O)O1	523042473	ZLNLNBFSVOQEAD-UPVBEFOLSA-N	350.455	4.108	50	1	FIGF	biogenic
CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@H](Cl)C2=C[C@@H](O)[C@H]3C[C@]21C(=O)O3	2356824032	GRGJZRKONMSMMM-DRYGLVJGSA-N	362.897	4.133	50	1	FIGF	
Cl[C@@H](Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1	29136059	SEFWYTXTKMMUEF-SFHVURJKSA-N	363.852	4.419	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169321730	PUANDXJMFDLSLQ-BGMRAPHESA-N	352.471	4.345	50	1	FIGF	
CO[C@@H]1C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@]23CC[C@](C(C)C)(C=C12)OO3	1772642153	VMAIDDTVLDYYFB-XQVPTLPVSA-N	364.482	4.118	50	1	FIGF	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](Br)[C@@H]2O	254045552	LQLVHJDLPXFYPF-KNNLCQGQSA-N	371.359	4.124	50	3	FIGF	
COC(=O)[C@@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	586992589	DOWRRTMXKOUJSQ-KRWDZBQOSA-N	351.789	4.208	50	1	FIGF	
O=C(CCCC[C@H]1CCSS1)Oc1ccc2ccc(=O)oc2c1	1857641116	CWOQPBFRGISTRH-AWEZNQCLSA-N	350.461	4.413	50	1	FIGF	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CBr)[C@@H]2O	28759482	UCIGYZZWLZVCAD-JMIVNMFKSA-N	365.311	4.230	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(F)c(F)c2[nH]1	586971773	YPTSROQRZBVMCW-SNVBAGLBSA-N	353.594	4.356	50	1	FIGF	
O=C1OC(=O)c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)ccc21	586909550	YNYLECNQVJIMHI-UHFFFAOYSA-N	364.304	4.152	50	1	FIGF	
COc1c(OC)c(N(C)C)c2c(c1SSC)C(=S)SCC2	14676796	KUSYEPPXXGVQFB-UHFFFAOYSA-N	361.579	4.105	50	1	FIGF	biogenic
C=C[C@]1(C)CC[C@]2(O1)C(C=O)=C[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C	85694122	KIFHEGOOWBXPAC-MYHSIESUSA-N	360.494	4.384	50	1	FIGF	biogenic
C[C@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4	194882012	LIEYBQHAGMYZMJ-BNDVGMLYSA-N	372.461	4.008	50	1	FIGF	
Fc1c(Br)ccc2nc(CCCCBr)[nH]c12	586972144	ICBMCKMHUWGTJN-UHFFFAOYSA-N	350.029	4.182	50	1	FIGF	
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12	25966077	CSELWEPNDJXTQB-ILYVXUQDSA-N	363.295	4.494	50	1	FIGF	
O=C(N/N=C/c1cccc(O)c1)c1ccc(-c2nc3ccccc3s2)cc1	299865108	NENXLZWCIBJLEZ-LPYMAVHISA-N	373.437	4.433	50	1	FIGF	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C(=O)OC)ccc3[nH]2)cc1	299871037	XQHJYQXROWJQLU-SFQUDFHCSA-N	374.444	4.260	50	1	FIGF	
CN[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@@]1(C)[C@H]1CO1	2356875658	ZSPIUBCULNOIHY-YFVFERPVSA-N	358.913	4.163	50	1	FIGF	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c2ccccc12	84652771	RHSXHRODLKMOGO-QFIPXVFZSA-N	371.440	4.133	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)O2	587372491	LWISHGKBPJIHSW-ODXCJYRJSA-N	372.852	4.024	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(CBr)c1)O2	587383027	WXRRLCYYRYBAQR-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
O=C(O)[C@@H]1c2ccc(Cl)c3c2CCN1[C@]31c2ccccc2CC[C@@H]1Cl	962574073	PBNRTBXRVQQKTN-QRFRQXIXSA-N	374.267	4.135	50	1	FIGF	
C=C1CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)Cl)[C@H](O)[C@@H]2[C@@H]1C=C[C@@]2(C)OO	2356510713	JFPULJNUBFSIFL-IUTUGMFASA-N	372.933	4.159	50	1	FIGF	
CC(=O)[C@@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101454	GZAHAIBHKVHYBG-GOSISDBHSA-N	366.214	4.471	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CBr)c(F)c1)O2	587387172	ZVUOWUISTZRUQX-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2cccc(I)c2[nH]1	587188225	OLCAGKWINQITEK-FMIVXFBMSA-N	371.181	4.232	50	1	FIGF	
Cc1c(F)ccc2c1[C@](CBr)(c1cccc(F)c1F)NCC2	962143848	JVEPUXKWUXPBSH-KRWDZBQOSA-N	370.212	4.197	50	1	FIGF	
C[C@](O)(C=CCl)[C@H](Cl)C=C[C@](Cl)(CCl)CBr	2356404706	VEKFWVZYABZACU-KXUCPTDWSA-N	370.929	4.265	50	1	FIGF	
Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1C(F)(F)C(F)(F)F	39034754	WUEBRCLYYHQDKK-QBFSEMIESA-N	360.282	4.333	50	1	FIGF	
CC/C=C\C[C@@H](/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO	584879821	LRRNKTJTXRCNJX-SAMSIYEGSA-N	366.454	4.293	50	1	FIGF	in-vitro
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@@H]1Br	587371857	HEUREXRSSJAUIT-PKOBYXMFSA-N	372.262	4.148	50	1	FIGF	
CCCCCCCCc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1	222556916	IMVNDUBCDCWIQE-UHFFFAOYSA-N	368.481	4.451	50	1	FIGF	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2)cc1	299865190	SQLOCQBYSMASCP-HZHRSRAPSA-N	357.413	4.011	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@]2(CBr)CC[C@H]1CCCO1	963034361	YPTGGAHXPZHUHC-CJNGLKHVSA-N	358.345	4.060	50	1	FIGF	
O=C(c1cc2cc(O)ccc2[nH]1)N1C[C@H](CCl)c2c1ccc1[nH]ccc21	96913715	QNIJMSMPYKMHQG-LBPRGKRZSA-N	365.820	4.338	50	1	FIGF	
C[C@@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587574636	YDPUCHBQBHBFNO-KNQAVFIVSA-N	373.364	4.237	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)/C=C\[C@@H](Cl)[C@@H](O)C/C=C\CCCC(=O)O	14923524	BEZAFRRJMXICCZ-PGACJOSRSA-N	370.917	4.376	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1	586973351	IILUCBMBIPIGEB-SECBINFHSA-N	371.238	4.192	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc[nH]2)[C@@H]1c1ccc(F)cc1	587326595	LZOPXALMIHXTJN-UYAOXDASSA-N	371.795	4.353	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Br)N1	587671592	UVMPDWJNPATZES-OTPXZMOZSA-N	365.084	4.121	50	1	FIGF	
NNC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1	587949386	DZYJKWGCXFSGGR-QBFSEMIESA-N	370.412	4.129	50	1	FIGF	
ClCCC[C@@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21	962991232	UMUHVUXVHFKCRV-IBGZPJMESA-N	360.288	4.396	50	1	FIGF	
COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O	1857623954	GHMRUNOHAHJNNA-UHFFFAOYSA-N	370.206	4.104	50	1	FIGF	
C[C@@H]1C[C@H]2C[C@]3(C)O[C@H]3[C@@]3(C)OOC(C)(C)C3=CC[C@@]3(C)CC[C@@]1(O2)O3	2356421720	RWEUYQYDWXAWCX-ABNRDSSUSA-N	364.482	4.054	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](Br)C[C@H]12	61946574	LQLVHJDLPXFYPF-IFOIECAUSA-N	371.359	4.124	50	3	FIGF	
CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC=CC[C@@H]3O2)CC[C@H]1Br	2356797565	OCNVHNVXTBMRBX-HZRXROBNSA-N	359.304	4.338	50	1	FIGF	
COc1cc2c3c(c1)O[C@@H](c1ccc(CBr)cc1)[C@@H](C2)C3=O	587411215	CBFZWHMCYVMIEO-KSSFIOAISA-N	359.219	4.079	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CBr)cc1	587898896	UKQUUMNQXSLTAU-UHFFFAOYSA-N	363.638	4.326	50	1	FIGF	
CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC=CC[C@@H]3O2)CC[C@@H]1Br	2356797566	OCNVHNVXTBMRBX-JBJRXJHCSA-N	359.304	4.338	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CBr)cc1)O2	587377074	KTECJYMIETYAEY-SFHVURJKSA-N	360.251	4.353	50	1	FIGF	
ClCCC[C@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21	962991236	UMUHVUXVHFKCRV-LJQANCHMSA-N	360.288	4.396	50	1	FIGF	
C[C@]1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1	49723086	UBCWZOKKGDETJW-SFHVURJKSA-N	369.408	4.108	50	1	FIGF	
COC(=O)Nc1ccccc1OP(=O)(c1ccccc1)c1ccccc1	68600418	AGMSCQOORLTROL-UHFFFAOYSA-N	367.341	4.173	50	1	FIGF	biogenic
C=C(C)[C@@H](CCC1=CC[C@@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO	523042396	NMQLFTCNCGSJQX-NLYXZSEGSA-N	350.455	4.108	50	1	FIGF	biogenic
C[C@H](c1ccc(CBr)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1	586974084	QHLOGAUHSMLCPR-LLVKDONJSA-N	365.234	4.353	50	1	FIGF	
N#C/C(C(=O)Nc1ccc(C#N)cc1)=C(/O)c1ccc(C(F)(F)F)cc1	59034407	ATMMFGXAGSQCRN-NXVVXOECSA-N	357.291	4.008	50	1	FIGF	
CC[C@@H]1[C@@H]2C[C@H](OO2)[C@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO	231929774	MJUWCOUUJKOCJT-SYMZGCGHSA-N	356.459	4.050	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)C)CC2=O	587456610	SCSKDQNUWCGKGJ-QGZVFWFLSA-N	355.272	4.490	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	587188493	RRWGYGXRVFLVJD-LICLKQGHSA-N	351.413	4.458	50	1	FIGF	
COC(=O)c1coc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1	587497650	JQFZTBLPWSCKNA-HXUWFJFHSA-N	374.820	4.045	50	1	FIGF	
CCCCC[C@H](O)C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CCCCCCC(=O)O	2356709646	NTAYABHEVAQSJS-ZWJWXYIHSA-N	354.487	4.244	50	1	FIGF	
COC(=O)CCCC#CC#CCCCCCCCC#CCBr	238769787	JKKZVISBKNCKPF-UHFFFAOYSA-N	365.311	4.466	50	1	FIGF	
N#Cc1ccc2c(C(=O)c3cc(C(=O)Cl)cc(C(=O)Cl)c3)coc2c1	587278067	CUEUYCRRYZFVRX-UHFFFAOYSA-N	372.163	4.293	50	1	FIGF	
C=CCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587417503	NEEPFYCDVYEQDV-UTKZUKDTSA-N	371.864	4.181	50	1	FIGF	
CCO/C=C(\C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587333704	HEDSTCMSHWBJBP-FKGBQFQVSA-N	367.376	4.093	50	1	FIGF	
O=C(NNC(Cc1ccccc1)Cc1ccccc1)c1cc2ccccc2[nH]1	1857599643	BEKRUVRABDKXMA-UHFFFAOYSA-N	369.468	4.256	50	1	FIGF	
COc1ccc([C@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)c(OC)c1OC	103997044	BJZYUHHQSVVDNF-KRWDZBQOSA-N	354.406	4.044	50	1	FIGF	
CC1(C)OC(=O)C(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)=C1N	587255248	KIMNAEIKOLFFPZ-UHFFFAOYSA-N	369.315	4.226	50	1	FIGF	
COc1ccc2c(c1)[C@](C)(C(C#N)=C1Nc3ccccc3N1)N(C(C)C)CC2	962094821	XSUFWQZPBLLZOA-HSZRJFAPSA-N	374.488	4.450	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC1	13386328	LAYMOUPGGHBQQW-ZSXHRAQDSA-N	356.934	4.239	50	1	FIGF	biogenic
O=C(N/N=C\c1ccc(OCCCF)cc1)c1ccc(C(F)(F)F)cc1	33888514	ACGUBTFFNUBHKQ-FMCGGJTJSA-N	368.330	4.208	50	1	FIGF	
N#Cc1ncc(N=Cc2ccc(N(CCCl)CCCl)cc2)s1	254103383	QCLYSNBFASOOKB-UHFFFAOYSA-N	353.278	4.049	50	3	FIGF	
O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)NNc1ccccc1	73198426	WRUSTYANRIWKBZ-UHFFFAOYSA-N	357.413	4.357	50	1	FIGF	
C=C1CC[C@]2(N=C=O)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H](CC(C)(C)NC=O)[C@H]1[C@H]32	84711241	HQOOOYBCJOKAIX-XQOOQLJESA-N	358.526	4.260	50	1	FIGF	
CC(C)(F)[C@H](Br)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587086711	HBCMELVHYGUGQS-SECBINFHSA-N	350.575	4.309	50	1	FIGF	
COc1cc(C(=CC#N)c2ccc3c(c2)c(C#N)cn3C)cc(OC)c1OC	1857626372	VPBOURHZFLDBGA-UHFFFAOYSA-N	373.412	4.031	50	1	FIGF	
CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccc(C(C)=O)cc1)CCC2	40575711	DNBCPNZDQVZJRD-LYBHJNIJSA-N	366.465	4.292	50	1	FIGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCCl)N1	587683431	HAXIKLHZUKLNKK-ISVAXAHUSA-N	355.078	4.185	50	1	FIGF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cccc(CCl)c2)N1	962965800	LTKSEFPIZWNONW-CJNGLKHVSA-N	372.198	4.045	50	1	FIGF	
O=C(N/N=C1\C[C@@H](c2ccccc2)Sc2ccccc21)c1ccncc1	1857608836	QOWKOZREDXISDL-KNOQIOAQSA-N	359.454	4.453	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@@H]2[C@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1N=C	2356466531	JTVDRBQJMSKYJO-GIWSLNRASA-N	372.896	4.234	50	1	FIGF	
Cc1cnc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)s1	103167935	USGDTKBPOKYXAU-QWHCGFSZSA-N	364.257	4.348	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl	587702599	DRIPHFCIRKFHKA-XIAASGLRSA-N	358.682	4.355	50	1	FIGF	
C=C(C)[C@H](CCC(C)=CCOc1ccc2ccc(=O)oc2c1OC)OO	2356597378	FDXYPABPFFVXBZ-INIZCTEOSA-N	360.406	4.341	50	1	FIGF	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc4ccccc4c3)[nH]n2)cc1	64559151	UKDWYJCJVNUNRH-OEAKJJBVSA-N	370.412	4.002	50	1	FIGF	
CC(C)(C)S/C(Nc1ccccc1)=C(\C#N)C(=O)N/N=C\c1ccco1	1857636277	FVNGMWJAYNXGPY-TUQKIYISSA-N	368.462	4.109	50	1	FIGF	
CCC(=O)Nc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(SC)cc2)cc1	1660512	IMSWXABTJYOLJD-MSOLQXFVSA-N	374.893	4.452	50	1	FIGF	
C/C=C/[C@H]1C[C@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1	102182905	AYJPVJZMJVVOFU-QSUSIRHYSA-N	356.459	4.360	50	1	FIGF	
FC(F)(F)c1cc(Br)c2[nH]c(CBr)nc2c1	586972430	QTLDHCWIENVTOY-UHFFFAOYSA-N	357.955	4.239	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)([C@H](C)Cl)[C@@H](C2)C3=O	587428187	XTQYXIMVLNKTMJ-IXODSKFBSA-N	364.775	4.244	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCBr)N1	587673470	NBXQJWXJTYGCFA-KCJUWKMLSA-N	365.084	4.339	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2cccc(OC(F)(F)F)c2[nH]1	586971649	VHQYODJHCBCTRF-SNVBAGLBSA-N	367.165	4.323	50	1	FIGF	
CCCCCCCCC1=NC(=O)N=C1CCCCCCCC(=O)NN	66104140	SITFCDCORZHBNV-UHFFFAOYSA-N	350.507	4.473	50	1	FIGF	
C=C(C)[C@H](O)CC[C@@](C)(O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1	238731724	WVROWGFVAXSAAR-AIEDFZFUSA-N	353.728	4.016	50	1	FIGF	
O=C(/C=C/c1ccc(O)cc1)SSC(=O)/C=C/c1ccc(O)cc1	473123823	VTABEVNFTDQSMB-YDWXAUTNSA-N	358.440	4.259	50	1	FIGF	
Cc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1	587375412	RWYPBZCMVSLCSR-LJQANCHMSA-N	374.278	4.450	50	1	FIGF	
COSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C	103214446	VDRMUVLASOFPCI-UHFFFAOYSA-N	358.463	4.194	50	1	FIGF	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2nc(C)cc(C)c32)cc1	688038	ZPNSBKXDGIEISR-INIZCTEOSA-N	363.442	4.140	50	3	FIGF	
S=C=Nc1ccc2oc(-c3ccc(CN4CCOCC4)s3)nc2c1	28086964	FCVPFSGSPSWYGV-UHFFFAOYSA-N	357.460	4.123	50	1	FIGF	
CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587374656	ZEXXJEIAFWYBMQ-MPBGBICISA-N	372.852	4.024	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O	587427949	MCWFJDYVIBWLOA-VBKZILBWSA-N	371.795	4.197	50	1	FIGF	
C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	169310160	JYWMQCPLXKBVTF-ZYZAVVJJSA-N	360.494	4.431	50	1	FIGF	
CCOC(=O)[C@@]1(CCCCCCl)c2c(F)cccc2C[C@H]2CCCN21	963115316	VQEDHMIADXNFIS-OXQOHEQNSA-N	367.892	4.404	50	1	FIGF	
CC/C=C/C[C@H]1C=C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102183078	QYIHGBRMANIEFK-IEXILAKFSA-N	356.459	4.360	50	1	FIGF	
C=CCC[C@@]1(CBr)c2cc(OC)c(OC)cc2C[C@@H](C)N1C	962636572	SNDAULGEVBLZQF-FZKQIMNGSA-N	368.315	4.137	50	1	FIGF	
Cc1ccc2[nH]c3c(c2c1)CCC(=C\c1ccc(F)cc1)/C3=C(\C#N)C(N)=O	1857543001	OOCSDSWMOMLKTR-ZJCTVUPVSA-N	371.415	4.408	50	1	FIGF	
C=C[C@@]1(C)[C@H](NC)[C@]2(O)c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@H]1Cl	2356838827	MDPPXCGAXLWIDE-VSHGRSIOSA-N	358.913	4.054	50	1	FIGF	
COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1C=CC(C)(C)OO	2356506167	DTWJJNIMNAZCIL-UHFFFAOYSA-N	355.390	4.398	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CCCl)c1C)CC2=O	587460452	MTDVNHXCJUACLE-KRWDZBQOSA-N	362.857	4.103	50	1	FIGF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(C(C)(C)OC)N1	962943251	GFMLCNMZGRSNKC-SGTLLEGYSA-N	365.315	4.107	50	1	FIGF	
CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21	900715	IOUNQDKNJZEDEP-UHFFFAOYSA-N	367.816	4.236	50	1	FIGF	in-man
CC(C)(C)N(NC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cl	201471999	YUWZHHDYEJZRGL-UHFFFAOYSA-N	363.820	4.457	50	3	FIGF	
C/C=C/[C@H]1C[C@@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1	102182912	AYJPVJZMJVVOFU-MKPDFNHISA-N	356.459	4.360	50	1	FIGF	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1	35128802	ROLPZICWXAQMTP-NDENLUEZSA-N	351.233	4.303	50	1	FIGF	
CCOc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587418134	SABLQXZIXGALHI-VVUGWJFESA-N	372.848	4.364	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O	587423155	SVRVKJZTZBDLSN-XOBRGWDASA-N	353.805	4.058	50	1	FIGF	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1	95585943	PRRVHPKZVPJCRT-RIYZIHGNSA-N	361.228	4.225	50	1	FIGF	
CC[C@H](OO)[C@@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	102182865	ZXMQUTOSCPQVII-UGQJHUBHSA-N	356.459	4.360	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CCBr)cc1)O2	587371446	DULRBKSOCNGHMF-IBGZPJMESA-N	374.278	4.395	50	1	FIGF	
CC[C@@H](O)C=CC=CCC=CCC=CC=C[C@@H](CCCC(=O)O)OO	2356463703	JIOJPWROWDJRKM-MOPGFXCFSA-N	350.455	4.432	50	1	FIGF	
COC(=O)[C@@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)C2	254076671	JQPMCHOKNZDRBQ-NTDBWNAOSA-N	356.579	4.271	50	1	FIGF	
N#Cc1ccc2c(C(=O)[C@@H](Br)CCBr)coc2c1	587279239	PJWPIDDHHLHVDF-NSHDSACASA-N	371.028	4.036	50	1	FIGF	
CN(C)CCOc1ccccc1/C=C(\C#N)c1noc2ccc(Cl)cc12	40645922	GBRWVLJICZKCOC-RVDMUPIBSA-N	367.836	4.486	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)[C@H](Cl)/C=C\[C@H](O)C/C=C\CCCC(=O)O	169621994	HJEQDKXCQTVINQ-KIGDMORKSA-N	370.917	4.376	50	1	FIGF	
ClC[n+]1ccc2cc3c(cc2c2cc4ccc5c(c4c1-2)OCO5)OCO3	238740721	WNIIFEMIHJQEAO-UHFFFAOYSA-N	366.780	4.039	50	1	FIGF	
CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C(C)(C)CCl	35190719	MLTSDBMNVWSYEO-UHFFFAOYSA-N	368.308	4.414	50	1	FIGF	
CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2cccc(C)c2C)s1	101501218	KCTQJNVXQHSSCM-XKPIDOGLSA-N	359.480	4.366	50	1	FIGF	
COc1cc(C(C)=O)cc(NC(=O)CCCC[C@@H]2CCSS2)c1O	72175373	STGGKVLJBFAUCO-CYBMUJFWSA-N	369.508	4.256	50	1	FIGF	
C=C(c1ccccc1)[C@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1	49878253	FXVANKIJRIZHTF-YMBRHYMPSA-N	358.434	4.197	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCCl)N1	587683430	HAXIKLHZUKLNKK-AMIZOPFISA-N	355.078	4.185	50	1	FIGF	
C=C(C)C=CC[C@@H]1C(=O)O[C@H](OC(C)=O)[C@@H]2C(C=O)=CCC=C(C)CC[C@@H]12	2356669140	NQNWKMZRJAIBCS-KEZQHZCBSA-N	372.461	4.059	50	1	FIGF	
CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C(C)/C=C/c1ccccc1	64550090	GVKGWIIGOCDFKW-WMEXJWLRSA-N	351.450	4.091	50	1	FIGF	
CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@@](C)([C@H](O)CCl)CC[C@H]12	32297051	WUVFQBDFNUJWIH-RUOLKGTKSA-N	356.934	4.336	50	1	FIGF	biogenic
COc1cc(-c2nc(-c3ccc(N=C=S)cc3)no2)cc(OC)c1OC	28240335	GGDVTUIPPPIYSE-UHFFFAOYSA-N	369.402	4.164	50	1	FIGF	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c2ccccc12	84652770	RHSXHRODLKMOGO-JOCHJYFZSA-N	371.440	4.133	50	1	FIGF	
CC(/C=C(\O)c1ccc(Br)cc1)=N/NC(=O)c1ccccc1	102818282	AYOWLIMTFHOFHX-YETRDSHKSA-N	359.223	4.154	50	1	FIGF	
CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C=O)[C@@H](C=O)[C@@]2(C)[C@@H](O)C[C@H]1Cl	2356449543	PVWNALVHQUKYII-QONVVCGCSA-N	352.902	4.078	50	1	FIGF	
CCOc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587371576	GZPPDSABHGYXHD-RBZFPXEDSA-N	359.853	4.464	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCCl)N1	587683432	HAXIKLHZUKLNKK-OQPBUACISA-N	355.078	4.185	50	1	FIGF	
N#CC1=C(/N=C/N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Cl)cc1	103184863	GRGWOBONVHJUTG-QGZVFWFLSA-N	360.804	4.135	50	1	FIGF	
COC(=O)c1ccc(/C=C/[C@]23C=C[C@@]4(OO2)C(C)(C)CCC[C@]4(C)O3)cc1	2382252952	JUWLAXQCZXKMQK-JCMGPSCOSA-N	370.445	4.439	50	1	FIGF	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C(=O)O)ccc3[nH]2)cc1	299863360	LAXHNNGKUUHILO-LFIBNONCSA-N	360.417	4.171	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C(Cl)Cl	587545574	RQFLRDQPWOCNBD-WBMJQRKESA-N	373.619	4.135	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1	587188411	RSKPGUBADPUYJA-UXBLZVDNSA-N	359.614	4.438	50	1	FIGF	
COc1ccc(/C(C)=N/NC(=O)Nc2nc3ccc(C)cc3s2)cc1	28823199	JVFKAKYRZADDMS-CIAFOILYSA-N	354.435	4.159	50	1	FIGF	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3CBr	587100896	BIPPVJNJVXILIN-JTQLQIEISA-N	350.215	4.481	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cc(Cl)cnc1C(=O)CCl	587903145	LCVVRGHTHSLBSP-UHFFFAOYSA-N	354.620	4.218	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@@]2(CBr)CC[C@H]1CCCO1	963034363	YPTGGAHXPZHUHC-CZUORRHYSA-N	358.345	4.060	50	1	FIGF	
ClC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1	28825005	XEENOTDJJRFCCJ-UHFFFAOYSA-N	355.010	4.415	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1sccc1Cl)O2	587411216	RUUMZWCHPJJCFZ-MRXNPFEDSA-N	364.879	4.367	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](C)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O	587414149	KQINUMAZZSPXNI-ZOCIIQOWSA-N	373.246	4.338	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H](Br)C(=O)CC[C@]34C)[C@@H]1CC[C@H]2O	2356465526	XNFPSGMHGPKVAT-LYVQZGCSSA-N	369.343	4.333	50	1	FIGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2c(F)cccc12	84707872	YKVMJQBXOMKRHY-NRFANRHFSA-N	359.404	4.263	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)[C@@H](Cl)/C=C\[C@H](O)C/C=C\CCCC(=O)O	169621996	HJEQDKXCQTVINQ-GKEFZKPGSA-N	370.917	4.376	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1CBr)O2	587384140	AZLGVYAACZZSER-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccccc1Cl)O2	587409256	KZBITIPMJODCJE-GOSISDBHSA-N	358.850	4.306	50	1	FIGF	
C[C@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587571435	KRJIUDOKLIRYLC-DENIHFKCSA-N	373.364	4.237	50	1	FIGF	
CCCCC/C=C/C[C@H]1/C(=C/[C@@H](CCCC(=O)O)OO)[C@@H]2C[C@H]1OO2	102182807	RMDWPORTSLRMPB-XGXOYBJBSA-N	354.443	4.271	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1	586971592	VKGHBWVCIFOHPG-QMMMGPOBSA-N	353.047	4.126	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3	169339166	NLJZTQSPHRUALZ-BHNPYSKESA-N	352.471	4.201	50	1	FIGF	
COc1ccc([C@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587373991	FQHJTFNEPWFRQZ-FQEVSTJZSA-N	359.853	4.466	50	1	FIGF	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1	1857754441	MGADBAQPJKGFSH-AWQFTUOYSA-N	371.156	4.232	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCBr)N1	587673472	NBXQJWXJTYGCFA-LDYMZIIASA-N	365.084	4.339	50	1	FIGF	
N#C/C=C1/c2ccccc2N=C(NCCN2CCCCC2)c2ccccc21	40434055	RLCVTWYFEJSHHD-XDHOZWIPSA-N	356.473	4.109	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O	587423154	SVRVKJZTZBDLSN-VBKZILBWSA-N	353.805	4.058	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2ccc(I)cc2[nH]1	587186922	AGZCBOFCJPMLLC-XYOKQWHBSA-N	371.181	4.232	50	1	FIGF	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1	103191806	ZYKPYLDPDFCIPQ-AUFJSOOLSA-N	372.424	4.427	50	1	FIGF	
C[C@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	169319291	LIEYBQHAGMYZMJ-OOJCKGNBSA-N	372.461	4.008	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)Br)[C@@H](C2)C3=O	587412902	DVQUOJDBHPXXLM-VZMUKZCBSA-N	373.246	4.122	50	1	FIGF	
C=C(C)C[C@H](OO)c1c(OC)ccc(C(=O)C=Cc2ccc(O)cc2)c1O	2356594570	DYPZZHZYUZHEFW-IBGZPJMESA-N	370.401	4.499	50	1	FIGF	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Br)cn1	49088275	QQAMSASSGQJBSR-LLVKDONJSA-N	361.330	4.497	50	1	FIGF	
C[C@@]1(CC(=O)NCc2ccc(-n3cccc3)cc2)CC2(CCCCC2)OO1	49710160	CTMOQHUPHGXYSR-OAQYLSRUSA-N	368.477	4.297	50	1	FIGF	
COc1cc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O	102761112	UQLKMXCBWXQJGR-GOSISDBHSA-N	368.433	4.377	50	1	FIGF	
O=c1cc(CCl)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12	169724618	QZAOPTPIUYQMMK-UHFFFAOYSA-N	362.138	4.101	50	1	FIGF	
COC(=O)c1cccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12	586974518	XGJHWTJEBBZKLE-NSHDSACASA-N	373.250	4.396	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CBr)(C1CCC1)CC2=O	587456390	NZOXDMKIQYMFCQ-QGZVFWFLSA-N	353.256	4.244	50	1	FIGF	
CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1	1857571500	JXRQVCRRGBZHRU-GJPUVDBCSA-N	356.429	4.194	50	1	FIGF	
CC[C@H](Br)[C@@]1(c2ccccn2)NCCc2cc(Cl)ccc21	963377748	DHRBTXQYBGVUDM-RDJZCZTQSA-N	365.702	4.298	50	1	FIGF	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccc(F)cc1	58590839	DOMKOJNQXDXULU-LJQANCHMSA-N	356.360	4.050	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CBr)ccc1F)O2	587381874	MNIBDKBRNKGROJ-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2nc(C)cc(C)c32)cc1	688039	ZPNSBKXDGIEISR-MRXNPFEDSA-N	363.442	4.140	50	3	FIGF	
C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](C=C[C@@H](CC)OC)O1	2356619310	ASFVDGVLCUHZLD-YXMSTPNBSA-N	361.707	4.076	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1nc3ccccc3[nH]1)CC2=O	587458290	AAIRKOQNVXVEQW-FQEVSTJZSA-N	370.836	4.321	50	1	FIGF	
Cl[C@@H](Cn1ncc2c(N3CCCCCC3)ncnc21)c1ccccc1	40913483	KYWSQKJNKHTTQT-KRWDZBQOSA-N	355.873	4.187	50	1	FIGF	
O=C(Oc1ccc2ncccc2c1)c1cc2cc(CCl)ccc2oc1=O	13676406	DEURHXHHDNJCSD-UHFFFAOYSA-N	365.772	4.299	50	1	FIGF	
O=C1C[C@](CCl)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1	587496227	CEIRMLQCHGWUKD-FQEVSTJZSA-N	358.821	4.076	50	1	FIGF	
Cc1cc(Cl)ccc1CNC(=O)C[C@]1(C)CC2(CCCCC2)OO1	49722849	GHYWYVGVFWHSEA-GOSISDBHSA-N	351.874	4.468	50	1	FIGF	
COc1cc2c3c(c1)O[C@H](c1cccc(CBr)c1)[C@@H](C2)C3=O	587411546	DKDZJBLALXAEPC-KBXCAEBGSA-N	359.219	4.079	50	1	FIGF	
Cc1ccc(/C=C(/C#N)c2nc3c(C)c(Br)cnc3[nH]2)cc1	587188649	UWSSNGVBGYCPSA-QPEQYQDCSA-N	353.223	4.401	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Br)N1	587671593	UVMPDWJNPATZES-RBDZCENOSA-N	365.084	4.121	50	1	FIGF	
C[C@@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587571438	KRJIUDOKLIRYLC-UGKGYDQZSA-N	373.364	4.237	50	1	FIGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@]13OO2	38158733	UVYBGNLFYBQCRJ-SYAJIYQZSA-N	362.466	4.209	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(C)cc21	587467532	DXWGSQRCXHNIAF-QFIPXVFZSA-N	361.397	4.314	50	1	FIGF	
Cc1oc(C(=O)O)cc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587500113	YKBIXAGONSBARY-HXUWFJFHSA-N	374.820	4.265	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587188646	UQKXWVKBLUAXRE-DHZHZOJOSA-N	369.178	4.298	50	1	FIGF	
CC(C)[C@@]12C=C[C@@](C)(O)CCC=C(CO)CC[C@@H](Cl)[C@@](C)(CC1)O2	2356696214	OPJKSHMXGJAOQC-IYWMVGAKSA-N	356.934	4.358	50	1	FIGF	
C=C[C@@]1(C)[C@H](NC)[C@@]2(O)c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@H]1Cl	2356838825	MDPPXCGAXLWIDE-FESPYFOJSA-N	358.913	4.054	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3	195237450	PUANDXJMFDLSLQ-QLVFJVLCSA-N	352.471	4.345	50	1	FIGF	
COc1ccc(Cl)c2c1CCN[C@H]2c1c(C)nn(CCCCl)c1C	963257056	GHOVSUUEHDUVEW-SFHVURJKSA-N	368.308	4.026	50	1	FIGF	
N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C1\Nc2ccccc2S1	53157230	UPBIREPNGVLYBH-JYFOCSDGSA-N	363.471	4.008	50	1	FIGF	
CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	38153951	ZKFPZYWURYLAPZ-IBGZPJMESA-N	364.405	4.025	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/Cl)(CCl)N1	587689711	VEQYDCWRWPIKDQ-NIFGATMFSA-N	353.062	4.309	50	1	FIGF	
Fc1ccc([C@@H]2OO[C@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1	38158847	CPVSDXYEYMLITN-RCCFBDPRSA-N	350.317	4.253	50	1	FIGF	
C[N@@+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	253633711	MSFDRSZROUKKAE-CJTVZHHNSA-N	373.456	4.405	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)O2	587373052	PFQQYONQPWSPPK-YUNKPMOVSA-N	372.852	4.024	50	1	FIGF	
Fc1ccc([C@H]2OO[C@@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1	38158846	CPVSDXYEYMLITN-FGTMMUONSA-N	350.317	4.253	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C#N)cc1)CC2=O	587461882	UWDNLBKGWXGWMT-HXUWFJFHSA-N	355.821	4.316	50	1	FIGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@@]13OO2	14293585	UVYBGNLFYBQCRJ-XDWAVFMPSA-N	362.466	4.209	50	1	FIGF	
CCN1CCC[C@H]1CNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21	40651535	LISOASQQRWWOAT-AMRJIULGSA-N	356.473	4.107	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)COC3)CC2=O	587460686	OPJCGQMSUNEUBJ-OAQYLSRUSA-N	372.848	4.474	50	1	FIGF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1ccc(Cl)cc1	963640607	WSRUFPSVSZZYSP-BLVKFPJESA-N	366.288	4.374	50	1	FIGF	
Clc1cc(Br)cc2nc(/C=C\CBr)[nH]c12	586972633	XYYQOFVBALBHEH-UPHRSURJSA-N	350.441	4.387	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1csc(CN(C)C(=O)CCl)c1	587918935	NTZBDLMSKYOVGS-UHFFFAOYSA-N	368.285	4.007	50	1	FIGF	
CC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO	147579838	JIOJPWROWDJRKM-SFHVADPASA-N	350.455	4.432	50	1	FIGF	in-vitro
C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	169310161	JYWMQCPLXKBVTF-BAZIRJNTSA-N	360.494	4.431	50	1	FIGF	
CC(C)COc1cc2nc(CBr)[nH]c2cc1Br	586971416	RVNDFORIGDXXRZ-UHFFFAOYSA-N	362.065	4.255	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@]4(C)C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@@]2(C)O	2356330879	CETKWEWBSMKADK-XYGSAPITSA-N	357.494	4.247	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@](CCl)(c2cocn2)[C@@H]1c1ccc(F)cc1	587329307	XSDOJWTZDVPFPS-IEBWSBKVSA-N	373.767	4.013	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)Br)[C@@H](C2)C3=O	587412899	DVQUOJDBHPXXLM-LLJZQGTPSA-N	373.246	4.122	50	1	FIGF	
COC(=O)c1ccc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1	1022111	IEPOHJOUDFKQAO-GOSISDBHSA-N	350.418	4.441	50	1	FIGF	
CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc1oc(=O)[nH]c3cccc2c31	95575407	IODGVXVKMRAHHB-JTQLQIEISA-N	374.824	4.352	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@H](C)Cl)[C@@H](C2)C3=O	587418214	SSTYJPDPOBSYTF-BPGAAWKESA-N	368.860	4.454	50	1	FIGF	
C[C@@H]1[C@H]2Cc3ccc(OC(=O)CCl)cc3[C@@]1(c1ccccc1)CCN2C	169320385	LIGPCSVVBGDHGZ-QPJICYPMSA-N	369.892	4.013	50	1	FIGF	
C/C(=C\C#N)N/C(=N\O)c1ccnc(Oc2cc(C)ccc2C(C)C)c1	101817596	YBWGREVJGNVGCB-VIZOYTHASA-N	350.422	4.459	50	1	FIGF	
CCCCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br	587009902	XAURJDYDBWUHJK-SNVBAGLBSA-N	360.683	4.133	50	1	FIGF	
CC[C@@H](C)/C(C)=N/NC(=O)c1ccccc1OCCOc1ccccc1	4965005	ZBJITEMWDAKKFJ-VBUUPXLYSA-N	354.450	4.296	50	3	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\Cl)(CCl)N1	587689710	VEQYDCWRWPIKDQ-DRZJOFCDSA-N	353.062	4.309	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)CCCl)cc1)O2	587375702	OARGDCQMIFADFA-HXUWFJFHSA-N	372.852	4.025	50	1	FIGF	
C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](C=C[C@H](CC)OC)O1	2356619309	ASFVDGVLCUHZLD-QXKUPLGCSA-N	361.707	4.076	50	1	FIGF	
COC1=C(C)C(=O)[C@@]2(C)[C@@H](C(C)=CCC(C)C)[C@@]3(C)C=C(C)[C@@]2(OO3)O1	2356835344	KRALJWCFVVBXCG-ZXNZYJFHSA-N	362.466	4.455	50	1	FIGF	
C[N@+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	253633713	MSFDRSZROUKKAE-NGMZNZPNSA-N	373.456	4.405	50	1	FIGF	
CC(C)(F)[C@@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	587087505	QYVFDYJTYCSYFZ-LBPRGKRZSA-N	355.186	4.072	50	1	FIGF	
CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@@H]1c1ccco1	20136814	FPBJAJTXGLCDCM-MRXNPFEDSA-N	366.442	4.039	50	3	FIGF	
C=C[C@@]1(C)[C@@H](N=C)[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@H]1Cl	2356466533	JTVDRBQJMSKYJO-RONSJCHFSA-N	372.896	4.234	50	1	FIGF	
O=C(N/N=C\c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12	33291350	NCWJNVZGQDGGJK-QRVIBDJDSA-N	359.360	4.398	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@@H](C)Cl)[C@@H](C2)C3=O	587418215	SSTYJPDPOBSYTF-OCKUYBSPSA-N	368.860	4.454	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]cc(c34)[C@@]2(O)[C@@H]1NC	2356838826	MDPPXCGAXLWIDE-JGPVLXDFSA-N	358.913	4.054	50	1	FIGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4cccs4)cc3)[nH]c12	299826741	HVYYKFZEKVBNQS-CIAFOILYSA-N	360.442	4.364	50	1	FIGF	
COc1cc2c3c(c1)O[C@](C)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O	587414147	KQINUMAZZSPXNI-KYNGSXCRSA-N	373.246	4.338	50	1	FIGF	
CC(=O)SCC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587531189	GGNNFZQLYRPOPK-SFHVURJKSA-N	352.883	4.178	50	1	FIGF	
C=C1CC[C@@]2(N=C=O)[C@@H]3[C@@H]1[C@@H](CC(C)(C)NC=O)C[C@@H](C)[C@H]3CC[C@H]2C	2356793929	HQOOOYBCJOKAIX-WTYFSNFJSA-N	358.526	4.260	50	1	FIGF	
CC(C)(C)N(NC(=O)c1c(F)cccc1F)C(=O)c1ccccc1Cl	103176793	RNDUSDUGMOKDRL-UHFFFAOYSA-N	366.795	4.204	50	1	FIGF	
COC(=O)[C@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	586992591	DOWRRTMXKOUJSQ-QGZVFWFLSA-N	351.789	4.208	50	1	FIGF	
CCc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1	587372266	ICUWLLMUUPVYMK-LJQANCHMSA-N	374.278	4.395	50	1	FIGF	
C=CCC[C@@]1(CBr)CC(=O)c2ccc(O)c(CCC)c2O1	587456312	NECKZXNYMFMRML-KRWDZBQOSA-N	353.256	4.410	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)c(F)c1	587916505	NKENYNCPANEBNL-UHFFFAOYSA-N	352.192	4.065	50	1	FIGF	
CC(C)(C)c1ccc(/C=C/C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	1857762988	HXZCCJIKMQEXNV-HNTIPGDBSA-N	351.406	4.056	50	1	FIGF	
C=C1CCC=C(C(=O)O)C[C@@H](OC(=O)C(C)=CC)CC(C)(C)C[C@@H]1OO	2356422835	KJIICKUZOTZGRS-SJORKVTESA-N	366.454	4.280	50	1	FIGF	
CC(=O)OC[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@H]1[C@H](C)CCC=C(C)C	2356760918	SYFAUKOFHTVEDD-GFRNBQLOSA-N	362.510	4.391	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3	43328059	PUANDXJMFDLSLQ-BHNPYSKESA-N	352.471	4.345	50	1	FIGF	
CCCC1=C(C(=O)OCC)[C@H](c2ccnc3ccccc23)C(C#N)=C(C)N1	49113043	LIHLXWYJHXJFEM-HXUWFJFHSA-N	361.445	4.336	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(F)cc21	587471956	NGAAYCMYGOVWRF-OAQYLSRUSA-N	365.360	4.144	50	1	FIGF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(C(C)(C)OC)N1	962943249	GFMLCNMZGRSNKC-KZULUSFZSA-N	365.315	4.107	50	1	FIGF	
N#C/C(=C\c1cn(Cc2ccc(F)c(F)c2)c2ccc(F)cc12)C(=O)O	2382254303	KCQXRKFFVWTVIH-WUXMJOGZSA-N	356.303	4.098	50	1	FIGF	
Cc1ccccc1/C(O)=C(C#N)/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O	102768823	LMKJAGDQBXXKIY-FDGVQLEBSA-N	373.416	4.327	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OC)cc1)CC2=O	587458596	CHCZEYBHZMWJIV-HXUWFJFHSA-N	360.837	4.453	50	1	FIGF	
Oc1ccc([C@]2(CCCl)c3c(F)cccc3C[C@@H]3CCCN32)c(O)c1	963108441	OYWQBMCPJPZBPW-VBKZILBWSA-N	361.844	4.130	50	1	FIGF	
Cc1ccnc2ccc(/C=N/NC(=O)CCn3cc(C)c4ccccc43)cc12	115597700	SYIFYRJJXNHWRN-AFUMVMLFSA-N	370.456	4.347	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	169340363	LIEYBQHAGMYZMJ-QALMAGCSSA-N	372.461	4.008	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CBr)cc1)O2	587377071	KTECJYMIETYAEY-GOSISDBHSA-N	360.251	4.353	50	1	FIGF	
Cn1ccc([C@@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c1	963013363	QTUXAPZLCFVPDC-IBGZPJMESA-N	357.910	4.022	50	1	FIGF	
COc1c(Cl)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@@H](OC)[C@H]2Cl	1857637986	QTISQBZFCNUZBT-BONVTDFDSA-N	363.237	4.026	50	1	FIGF	
COc1cc2nc3occc3c(OC)c2c(C=CC(C)(C)OO)c1OC	2356597070	TXLPSNHGAORPAF-UHFFFAOYSA-N	359.378	4.288	50	1	FIGF	
COc1ccc(C(=O)NNc2c3ccccc3nc3ccc(C)cc23)cc1	6998467	GQSPXPHNHFYVBE-UHFFFAOYSA-N	357.413	4.462	50	3	FIGF	
CC(=O)c1ccc(NC(=O)/C(C#N)=C(\O)c2ccc(C(F)(F)F)cc2)cc1	100870861	AOFGXTKYZAUDNO-MSUUIHNZSA-N	374.318	4.339	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(C1CCC(F)(F)CC1)[C@@H](C2)C3=O	587424000	NDDGMFBJTORGRA-UGSOOPFHSA-N	356.796	4.246	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(Cc2noc(CCl)n2)cc1	587905828	JZSNWHKXNDVEQR-UHFFFAOYSA-N	373.239	4.461	50	1	FIGF	
CC(=O)OC[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C	2356760920	SYFAUKOFHTVEDD-KVJIRVJXSA-N	362.510	4.391	50	1	FIGF	
C[C@H](Br)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587671591	UVMPDWJNPATZES-BFHDXFOESA-N	365.084	4.121	50	1	FIGF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O	587424210	YAUPSIBJCOUESL-MGPUTAFESA-N	358.821	4.105	50	1	FIGF	
NCCSSCCCC(=O)NCC(c1ccccc1)c1ccccc1	618007891	TVXKHHOEYMFRAZ-UHFFFAOYSA-N	374.575	4.055	50	1	FIGF	
O=C1c2ccccc2-c2c(CCBr)cnc3ccc(O)c1c23	586984799	PKVNWAZYWAWXOR-UHFFFAOYSA-N	354.203	4.089	50	1	FIGF	
COc1ccc(Cl)cc1/C=N/NC(=O)c1c(-c2ccccc2)noc1C	993657	LDEASLAJGZEBPK-SRZZPIQSSA-N	369.808	4.076	50	3	FIGF	
CC/C(=N/NC(N)=O)c1ccc(Oc2ccc(Br)cc2)cc1	27315822	SNAPKQNKOUXNBD-CYVLTUHYSA-N	362.227	4.024	50	1	FIGF	
CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1	43693348	BKRKYEFQSANYGA-UHFFFAOYSA-N	357.231	4.456	50	1	FIGF	
CC1=C(C#N)[C@@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C(F)(F)F)N1C	116586745	JVLIJULZEKHEPQ-MRXNPFEDSA-N	357.339	4.038	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1F)([C@@H](C)Cl)O2	587387022	YYVLHDLCLJBABC-MLCYQJTMSA-N	351.780	4.343	50	1	FIGF	
O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)CC[C@@H]2C1	26173084	TYVBLADYKHCZPO-CEBPJCBASA-N	369.465	4.411	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	38152966	NLJZTQSPHRUALZ-BONJLBFOSA-N	352.471	4.201	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)[C@@H](Cl)/C=C\[C@@H](O)C/C=C\CCCC(=O)O	231930292	HJEQDKXCQTVINQ-HDOAYXGFSA-N	370.917	4.376	50	1	FIGF	
N#C/C(=C\c1cn(Cc2cc(F)cc(F)c2)c2cc(F)ccc12)C(=O)O	2382235852	FPUWRCQMUNPKBU-LFYBBSHMSA-N	356.303	4.098	50	1	FIGF	
COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCl)cc3CN1CC2	299837067	PEPCSPDWNABCAC-INIZCTEOSA-N	363.910	4.289	50	1	FIGF	
N#C/C(C(=O)Nc1ccc(F)cc1)=C(/O)c1ccc(C(F)(F)F)cc1	34493716	CBQDXIBQGMCRIP-PFONDFGASA-N	350.271	4.276	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)Br)[C@@H](C2)C3=O	587412901	DVQUOJDBHPXXLM-SGJUXQJHSA-N	373.246	4.122	50	1	FIGF	
CC[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21	587672717	HLMILVCGLRWSGD-SDBXPKJASA-N	365.084	4.123	50	1	FIGF	
CN(C)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1	1857580949	CZDDIBMYNNZCII-UHFFFAOYSA-N	372.472	4.322	50	1	FIGF	
CC[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21	587674294	VVTZBTAWOOTRMH-SDBXPKJASA-N	365.084	4.123	50	1	FIGF	
ClC[C@H](Cl)c1nc2c(Br)cnc(Br)c2[nH]1	587007577	GCNSFVVECXFVJH-BYPYZUCNSA-N	373.863	4.002	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)[C@@H](Cl)/C=C\[C@@H](O)C/C=C\CCCC(=O)O	231930288	HJEQDKXCQTVINQ-NHCWAZLMSA-N	370.917	4.376	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2cc(Cl)nc(Cl)c2[nH]1	586971211	OZUIFEYPENNPQO-MRVPVSSYSA-N	353.047	4.126	50	1	FIGF	
C/C(=N\NC(=O)COc1ccccc1)c1ccc(-n2c(C)ccc2C)cc1	19887698	KWGXTHUHUDOVJI-PTGBLXJZSA-N	361.445	4.013	50	1	FIGF	
C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC=C3COC(=O)[C@H]3[C@]2(C)C[C@@H](O)[C@@H]1Cl	85639217	FISUGILBFLGDLW-KPGOAMNMSA-N	366.929	4.483	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/Cl)(CCl)N1	587689839	WXZOVESICQJJKG-HGJJZJCVSA-N	353.062	4.309	50	1	FIGF	
CC(C)[C@@]12C=C[C@@](C)(O)CCC=C(CO)CC[C@H](Cl)[C@@](C)(CC1)O2	2356696217	OPJKSHMXGJAOQC-VNTMZGSJSA-N	356.934	4.358	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1CBr)O2	587384139	AZLGVYAACZZSER-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	169310162	JYWMQCPLXKBVTF-MXCMHBFYSA-N	360.494	4.431	50	1	FIGF	
CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587372384	KVUIWFLBCLSSAE-RNODOKPDSA-N	374.868	4.213	50	1	FIGF	
CC[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21	587674292	VVTZBTAWOOTRMH-ISVAXAHUSA-N	365.084	4.123	50	1	FIGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(F)(F)F)N1	587702779	FRHUFZDMNKIUIV-KGFZYKRKSA-N	360.576	4.119	50	1	FIGF	
CC(C)=CCC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12	2356449541	PVWNALVHQUKYII-CFSBILQPSA-N	352.902	4.078	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)([C@@H](C)Cl)[C@@H](C2)C3=O	587426170	MENVBCOYMPCFEB-QZBIMVINSA-N	364.775	4.244	50	1	FIGF	
CC(C)(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1	587368543	LDJMQSHRUZAHJR-UHFFFAOYSA-N	357.841	4.182	50	1	FIGF	
COC(=O)CC[C@H](N)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1	587260419	VSULNJYCECYNOG-QMMMGPOBSA-N	359.320	4.173	50	1	FIGF	
CC[C@H](OO)[C@@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1	231929782	NEFBFYIAKJRRAE-AWWXYHOZSA-N	356.459	4.360	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(F)cc1F)O2	587382184	PFYWYKPUXQIQDD-SFHVURJKSA-N	351.780	4.263	50	1	FIGF	
CC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587374659	ZEXXJEIAFWYBMQ-ODXCJYRJSA-N	372.852	4.024	50	1	FIGF	
CN/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1	103185976	DYZJDIIARKUKPK-SFHVURJKSA-N	374.831	4.395	50	1	FIGF	
CC[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21	587674291	VVTZBTAWOOTRMH-AMIZOPFISA-N	365.084	4.123	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H](Br)C(=O)CC[C@]34C)[C@H]1CC[C@H]2O	2356465525	XNFPSGMHGPKVAT-DUMDLMNHSA-N	369.343	4.333	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)[C@@H](Cl)/C=C\[C@H](O)C/C=C\CCCC(=O)O	169621995	HJEQDKXCQTVINQ-SSVFCDRXSA-N	370.917	4.376	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C(Cl)Cl	587545555	RQFLRDQPWOCNBD-BLLLJJGKSA-N	373.619	4.135	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(Cc2nc(CCl)no2)cc1	587906317	ZZAMDWQSHNNGLD-UHFFFAOYSA-N	373.239	4.461	50	1	FIGF	
Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccco4)cc3)[nH]c2cc1C	1857563297	IMMXZAVOPACDBM-WSDLNYQXSA-N	358.401	4.204	50	1	FIGF	
O=C(N/N=C/c1cc(F)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1	49071356	BAQOVPRVJCQWEU-KPSZGOFPSA-N	361.587	4.255	50	1	FIGF	
C[C@]12CC[C@@H]3c4ccc(O[P@@](C)(O)=S)cc4CC[C@H]3[C@@H]1CCC2=O	3788093	OPFKWSWJXPDBJS-WKUNYAQLSA-N	364.447	4.422	50	1	FIGF	
COc1cc(/C(=C/C#N)c2ccc3c(c2)c(C#N)cn3C)cc(OC)c1OC	95581757	VPBOURHZFLDBGA-REZTVBANSA-N	373.412	4.031	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4	253645592	LIEYBQHAGMYZMJ-HFCQYGAGSA-N	372.461	4.008	50	1	FIGF	
COC(=O)c1ccc(Oc2ccc3nc(CBr)[nH]c3c2)cc1	586972470	SROOTSZSUSYMBQ-UHFFFAOYSA-N	361.195	4.037	50	1	FIGF	
CC(C)(F)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587086712	HBCMELVHYGUGQS-VIFPVBQESA-N	350.575	4.309	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](Br)c3ccccc31)O2	587373421	QJZVIJGMHNXHAS-RDTXWAMCSA-N	358.235	4.278	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1cccc(Cl)c1)[C@@H](C2)C3=O	587451336	XFUOIABFEIDGOK-KXBFYZLASA-N	371.845	4.206	50	1	FIGF	
CN(C)CCSSCCNC(=O)Nc1cc(Cl)ccc1Cl	618007872	RXVVSMNWFQRVPB-UHFFFAOYSA-N	368.355	4.058	50	1	FIGF	
CC(C)(C)c1cc(/C=N/NC(=O)c2cccnc2)c(O)c(C(C)(C)C)c1	5726699	UFDMHGFYUVLUQG-YDZHTSKRSA-N	353.466	4.146	50	1	FIGF	
NC12C[C@@H]3C[C@H](C1)CC(SSC14C[C@@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2	101961129	JXMDKRQMCIHQKT-UKJOCHSDSA-N	364.624	4.468	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C)cc1)[C@@H](C2)C3=O	587414103	SCHARPULSNNLKE-KXBFYZLASA-N	373.246	4.041	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@H]2O	118917922	LQLVHJDLPXFYPF-KMDKCDOHSA-N	371.359	4.124	50	3	FIGF	
CCc1ccc(Cc2cc(CCCl)ccc2OC(C)=O)c(OC(C)=O)c1	64416936	HGJCNNCDZACAKO-UHFFFAOYSA-N	374.864	4.472	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCCCl	587541644	CNBHGLTZKJBXMX-MAUKXSAKSA-N	367.228	4.350	50	1	FIGF	
Cc1ccc2c3c([nH]c2c1)C(=C(/C#N)C(N)=O)/C(=C/c1cccs1)CC3	1857562308	QJJZBXIJXHYZBY-DFQGMUSMSA-N	359.454	4.330	50	1	FIGF	
CCC=CCC=CC[C@H](O)[C@@H](Cl)C=C[C@@H](O)CC=CCCCC(=O)O	2356759346	HJEQDKXCQTVINQ-FHWLQOOXSA-N	370.917	4.376	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2cccc(Br)c2[nH]1	586971293	QORDRWUUPALNNI-JTQLQIEISA-N	362.065	4.186	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]cc(c34)[C@]2(O)[C@@H]1NC	2356838824	MDPPXCGAXLWIDE-BQLRMLCTSA-N	358.913	4.054	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)COC3)CC2=O	587460685	OPJCGQMSUNEUBJ-NRFANRHFSA-N	372.848	4.474	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)c1ccccc1)O2	587371763	FZAYFVAGFREUEO-QZTJIDSGSA-N	360.251	4.437	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl	587701665	CAPKVMGWBFMOKG-ANAKMUSVSA-N	358.682	4.355	50	1	FIGF	
O=C(O)[C@@H]1c2ccc(Cl)c3c2CCN1[C@@]31c2ccccc2CC[C@H]1Cl	962574061	PBNRTBXRVQQKTN-IMFGXOCKSA-N	374.267	4.135	50	1	FIGF	
CCCCC/C=C/C[C@@H]1/C(=C/[C@@H](CCCC(=O)O)OO)[C@@H]2C[C@@H]1OO2	102182803	RMDWPORTSLRMPB-YBAXFVPPSA-N	354.443	4.271	50	1	FIGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4cccc(O)c4)cc3)[nH]c12	299825563	DJRWRTIHUCOGNJ-YDZHTSKRSA-N	370.412	4.008	50	1	FIGF	
Cc1ccnc2c1CCN[C@]2(CBr)c1ccc2sccc2c1	963074659	XSJPDEMGDOMUIC-GOSISDBHSA-N	373.319	4.389	50	1	FIGF	
CC(C)(CCl)C(=O)NCCCCNc1ccnc2cc(Cl)ccc12	35190620	XEWUIOZSTUKJKO-UHFFFAOYSA-N	368.308	4.462	50	1	FIGF	
Cc1ccccc1/C(O)=C(\C#N)N=Nc1c(C)n(C)n(-c2ccccc2)c1=O	253989066	LMKJAGDQBXXKIY-ZWFQPPCLSA-N	373.416	4.327	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc2c3c(cccc13)C(=O)OC2=O	587911448	HWTOEDVKQYSACB-UHFFFAOYSA-N	362.768	4.212	50	1	FIGF	
CC[C@H](O)C=CC=CCC=CCC=CC=C[C@@H](CCCC(=O)O)OO	2356463704	JIOJPWROWDJRKM-OALUTQOASA-N	350.455	4.432	50	1	FIGF	
COc1ccc(Cl)cc1/C=N\NC(=O)c1c(-c2ccccc2)noc1C	15989914	LDEASLAJGZEBPK-NHDPSOOVSA-N	369.808	4.076	50	1	FIGF	
COc1cc([C@]2(OC)C=CC3(CCCCCC3)OO2)cc(OC)c1OC	38158533	YUZLYEHYFQRXFD-FQEVSTJZSA-N	364.438	4.123	50	1	FIGF	
Cc1cn(CCC(=O)N/N=C/c2ccc3ncccc3c2)c2ccccc12	115597129	UBHLOQQJSLDWJB-ZVHZXABRSA-N	356.429	4.038	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1	586971856	ZHPYDOCVCVGZCG-QMMMGPOBSA-N	353.047	4.126	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)O2	587371261	FDVHTAFCPNAPGP-BIBXISHDSA-N	374.868	4.213	50	1	FIGF	
CC[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1	962997701	SFCSUODZYXUOMW-MRXNPFEDSA-N	351.313	4.202	50	1	FIGF	
C=C1CC[C@@]2(N=C=O)[C@H]3[C@H](CC[C@H]2C)[C@H](C)C[C@H](CC(C)(C)NC=O)[C@@H]13	2356793928	HQOOOYBCJOKAIX-KXXRVGCSSA-N	358.526	4.260	50	1	FIGF	
CCCNc1c(C(=O)OC)cnc2c1cnn2C[C@H](Cl)c1ccccc1	13675414	VJKTUFLYYTYXAH-INIZCTEOSA-N	372.856	4.020	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1	586974273	UPYIBQNNBJUDBV-QLJPJBMISA-N	373.254	4.333	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl	587701672	CAPKVMGWBFMOKG-MDKRDASASA-N	358.682	4.355	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)O)cc2[nH]1	586972978	DSHVOVFTEQOCLH-JTQLQIEISA-N	359.223	4.308	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3cc(F)ccc13)O2	587383747	FWUAYYQVPCKOMZ-IBGZPJMESA-N	358.800	4.297	50	1	FIGF	
Cc1ccc2c3c(cc([C@@H](Cl)C(=O)N(C)C)nc13)-c1ccccc1C2=O	586992467	BOSKHLUICFDIID-GOSISDBHSA-N	364.832	4.123	50	1	FIGF	
COC(=O)Cc1c(CCl)nc2c(C)ccc3c2c1-c1ccccc1C3=O	586993508	MXVVYBCCELCUTO-UHFFFAOYSA-N	365.816	4.209	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2cocn2)[C@@H]1c1ccc(F)cc1	587329309	XSDOJWTZDVPFPS-MJGOQNOKSA-N	373.767	4.013	50	1	FIGF	
CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc1o[nH]c(=O)c3cccc2c13	95602133	XMFQCRZSCAOYHM-JTQLQIEISA-N	374.824	4.352	50	1	FIGF	
O=C(CCCCCCl)c1c(CO)oc2cc(Br)cnc12	587276993	VYWQSTNTEWEGLJ-UHFFFAOYSA-N	360.635	4.065	50	1	FIGF	
CC(=O)OC/C=C(\C)CC[C@H](Br)C(C)(C)Br	5940618	JLQMVQMYEIHAPP-DJYGCBNOSA-N	356.098	4.213	50	1	FIGF	
C[C@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4	194882042	LIEYBQHAGMYZMJ-BLYZYSMJSA-N	372.461	4.008	50	1	FIGF	
O=C(c1cc2cc(O)ccc2[nH]1)N1C[C@@H](CCl)c2c1ccc1[nH]ccc21	96913716	QNIJMSMPYKMHQG-GFCCVEGCSA-N	365.820	4.338	50	1	FIGF	
C[C@H]1[C@H]2Cc3ccc(OC(=O)CCl)cc3[C@@]1(c1ccccc1)CCN2C	169320386	LIGPCSVVBGDHGZ-GNSUPJDDSA-N	369.892	4.013	50	1	FIGF	
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C[C@H](O)c1cocn1	195150181	YKNPNFYNBWRADV-BVUBDWEXSA-N	371.550	4.029	50	1	FIGF	
O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl	299806652	HAYTWGXBZPKSAY-NRCRGUPPSA-N	354.661	4.040	50	1	FIGF	
O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1Nc1ccnc2cc(Cl)ccc12	1772604136	HZEJWFANAINDFF-DLBZAZTESA-N	374.227	4.112	50	1	FIGF	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)s1	221353274	RMMSRGWXKNOVQP-LSHDLFTRSA-N	372.396	4.471	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	38152135	PUANDXJMFDLSLQ-BONJLBFOSA-N	352.471	4.345	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@H](C)Cl)[C@@H](C2)C3=O	587417777	QAVXACDQYGAOMR-XTNUZHGASA-N	367.832	4.447	50	1	FIGF	
CCCN[C@H](c1cccnc1)P(=O)(c1ccccc1)c1ccccc1	95596669	ARFLILSZBOWHGT-NRFANRHFSA-N	350.402	4.094	50	1	FIGF	
CCOC(=O)[C@@]1(CCCCCCl)NCCc2c(OC)ccc(Cl)c21	963272284	ZAAVBXYDFOFDHS-SFHVURJKSA-N	374.308	4.052	50	1	FIGF	
N#C/C(=C\c1cccc2cnccc12)c1cn(C(=O)CCN)c2ccccc12	1857570069	JBVVLSZLAQIWMZ-LDADJPATSA-N	366.424	4.243	50	1	FIGF	
CC=C(C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@H](OCC)C1)CCN2C	2356533994	VRGSMYCUMKUHGF-TYCQWZJGSA-N	352.478	4.261	50	1	FIGF	
CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@@H](Cl)C2=C[C@@H](O)[C@H]3C[C@]21C(=O)O3	2356824031	GRGJZRKONMSMMM-CPIYGCACSA-N	362.897	4.133	50	1	FIGF	
COc1ccc([C@H]2NC(=O)C(C#N)=C(SCc3ccccc3)S2)cc1	84619603	CLBRZAWDEXTRNF-SFHVURJKSA-N	368.483	4.225	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169321727	PUANDXJMFDLSLQ-AWKFRVKISA-N	352.471	4.345	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H](C1)[C@H]2Cl	587551239	YWBDQNOSHDOLGP-PONJSXBFSA-N	356.805	4.130	50	1	FIGF	
CC(C)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1	201289015	OANXWCBACGSQKQ-QPJQQBGISA-N	365.264	4.074	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCCCC1)O2	587370920	CRKZFTCGYUENER-KRWDZBQOSA-N	352.272	4.256	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)O2	587371266	FDVHTAFCPNAPGP-GIPWTMENSA-N	374.868	4.213	50	1	FIGF	
COc1c(Cl)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@H](OC)[C@@H]2Cl	1857637987	QTISQBZFCNUZBT-MEBBXXQBSA-N	363.237	4.026	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2cccc(OC(F)(F)F)c2[nH]1	586971648	VHQYODJHCBCTRF-JTQLQIEISA-N	367.165	4.323	50	1	FIGF	
O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12	49036688	IBIQOLRWRCKKAE-DOTOQJQBSA-N	359.212	4.289	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ncccc13)CC2=O	587461144	PQIUVVMGVUOADU-FQEVSTJZSA-N	370.836	4.321	50	1	FIGF	
COc1cc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O	102761109	UQLKMXCBWXQJGR-SFHVURJKSA-N	368.433	4.377	50	1	FIGF	
CC(=O)O[C@H]1CC[C@@]2(C)CC[C@@]3(C)C(=CC2=C1C=O)C(=O)C[C@@H]3C(C)C	136942729	ARPMJUSHFPKJRY-YPVJZLTNSA-N	358.478	4.185	50	1	FIGF	
CC[C@H]1[C@@H]2C[C@H](OO2)[C@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO	231929772	MJUWCOUUJKOCJT-MXQFJALDSA-N	356.459	4.050	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2nc(Cl)c[nH]c-2n1	586973018	FAXPKPDUTGRZAH-QMMMGPOBSA-N	351.635	4.005	50	1	FIGF	
CCC(=O)Nc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(SC)cc2)cc1	1660513	IMSWXABTJYOLJD-ROUUACIJSA-N	374.893	4.452	50	1	FIGF	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1	103224088	WFYRRWXCUSBNOE-PXLXIMEGSA-N	367.836	4.050	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](C)Br)O2	587412121	HEIYDWSGYCOYIZ-QLJPJBMISA-N	366.280	4.283	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(CBr)cc1)[C@@H](C2)C3=O	587413408	OGSFVPCNRXROJV-KXBFYZLASA-N	373.246	4.253	50	1	FIGF	
O=C(c1coc2ccc(Cl)cc12)[C@@H](Br)CBr	587276423	OJEBGRQIKGVROB-VIFPVBQESA-N	366.436	4.427	50	1	FIGF	
Clc1cccc(Cl)c1C1=NO[C@@]2(CCCCO2)[C@H]1Br	1772649655	MQPCGYXUPSDMFU-STQMWFEESA-N	365.054	4.388	50	1	FIGF	
Cc1ccc2oc(C(C)(C)c3ccc(S(=O)(=O)/C=C/C#N)cc3)nc2c1	147590103	VONJOWDKUSPCRW-UUILKARUSA-N	366.442	4.273	50	1	FIGF	
O=C(N/N=C\c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccncc1	66101509	WPRWACOLJGCWMZ-XKZIYDEJSA-N	351.793	4.291	50	1	FIGF	
C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(-n2cccc2)cc1	103224093	MEMIRPTWUQPNJJ-PXLXIMEGSA-N	367.836	4.050	50	1	FIGF	
C=C1CC[C@H]([C@]2(C)CC[C@H](Cl)C(C)(C)O2)[C@@H]2[C@@H]1CC[C@@](C)(O)[C@@H]2NC	2356831341	JOHOKXKBKWJAJH-AQGMFGJKSA-N	369.977	4.273	50	1	FIGF	
Cc1cccc(Nc2ncnc3ccc(NC(=O)N(C)CCCl)cc23)c1	34800065	YJPDSCHNEKNQAA-UHFFFAOYSA-N	369.856	4.384	50	1	FIGF	
O=C(Oc1cccc2cccnc12)c1cc2cc(CCl)ccc2oc1=O	1660785	YOIIHKSEJOPKPY-UHFFFAOYSA-N	365.772	4.299	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[Si](C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	195191330	JUFSDODNZWADPX-VMAIWCPRSA-N	356.535	4.046	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1F)([C@H](C)Cl)O2	587387024	YYVLHDLCLJBABC-YPMLDQLKSA-N	351.780	4.343	50	1	FIGF	
N#CC(C#N)=Cc1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	1857599823	RTLVVEDLMBSMDF-UHFFFAOYSA-N	363.225	4.257	50	1	FIGF	
CN[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@@]1(C)[C@@H]1CO1	2356875655	ZSPIUBCULNOIHY-FHRUOEJVSA-N	358.913	4.163	50	1	FIGF	
COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c(O)c1	49089786	OVCIWBQLQOXCJM-DJKKODMXSA-N	360.822	4.033	50	1	FIGF	
CCO/C=C(\C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587333707	HEDSTCMSHWBJBP-HYPNTESJSA-N	367.376	4.093	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)[C@H](Br)C[C@H]12	61946577	LQLVHJDLPXFYPF-AMKIGGIASA-N	371.359	4.124	50	3	FIGF	
COc1ccc([C@@H]2C(C#N)=C(C)N=C3CCCC(O)=C32)c(OC)c1OC	103997052	BJZYUHHQSVVDNF-QGZVFWFLSA-N	354.406	4.044	50	1	FIGF	
CC=C(C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OCC)C1)CCN2C	2356533991	VRGSMYCUMKUHGF-CZAAIQMYSA-N	352.478	4.261	50	1	FIGF	
C/C(C=O)=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	13809031	DXVABEFHFVQKNZ-HYMPACJCSA-N	360.538	4.266	50	1	FIGF	
Fc1cccc2c1[C@](CCl)(c1c[nH]c3ncccc13)N1CCC[C@H]1C2	963094244	BZLVDRUGPMZLDL-XOBRGWDASA-N	355.844	4.205	50	1	FIGF	
C[C@](O)(C=CCl)[C@@H](Cl)C=C[C@](Cl)(CCl)CBr	2356404707	VEKFWVZYABZACU-LPEHRKFASA-N	370.929	4.265	50	1	FIGF	
C[N@@+]1([O-])CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	253633715	MSFDRSZROUKKAE-SGKLPJTKSA-N	373.456	4.405	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@](CCl)(CCCl)[C@H]1c1ccc(F)cc1	587327373	PTVRPYRBKAOPBS-WMZOPIPTSA-N	369.219	4.497	50	1	FIGF	
CCC=CCC=CC[C@H](O)[C@H](Cl)C=C[C@H](O)CC=CCCCC(=O)O	2356759348	HJEQDKXCQTVINQ-QRVBRYPASA-N	370.917	4.376	50	1	FIGF	
C=C1CC[C@H]([C@]2(C)CC[C@H](Cl)C(C)(C)O2)[C@@H]2[C@@H]1CC[C@](C)(O)[C@H]2NC	2356831343	JOHOKXKBKWJAJH-PQCYQFCNSA-N	369.977	4.273	50	1	FIGF	
CCc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1	103200379	PYGCFNZDSHYQIS-UHFFFAOYSA-N	358.869	4.488	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cccc(Cc2noc(CCl)n2)c1	587904812	YCNFWTNGRBICOF-UHFFFAOYSA-N	373.239	4.461	50	1	FIGF	
CCCCCC1=CC(=O)C2=C(OC(C)(C)[C@@H]3C=C[C@](C)(OO)C[C@@H]23)C1=O	1857766009	IPOMBILHBXNMGQ-PZPWOCDFSA-N	360.450	4.148	50	1	FIGF	
COc1cccc2c1C(=O)c1ccc3cc(CCl)cc(O)c3c1C2=O	5941525	AQHNYGYYHAXGLC-UHFFFAOYSA-N	352.773	4.068	50	1	FIGF	
CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCCl)c2c1	587649402	IPVCQYCEZYOXLU-UHFFFAOYSA-N	351.830	4.159	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC1	13386330	LAYMOUPGGHBQQW-QOJCHSLYSA-N	356.934	4.239	50	1	FIGF	biogenic
CN1C(=O)c2cc3ccccc3n2C(=O)[C@H]1SSCc1ccccc1	27187022	WKLCOGRHVUZWEH-LJQANCHMSA-N	368.483	4.275	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1CBr)O2	587380519	AHYITANHGOBBKD-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
CCOC(=O)[C@]1(CCCCCCl)NCCc2c(OC)ccc(Cl)c21	963272283	ZAAVBXYDFOFDHS-GOSISDBHSA-N	374.308	4.052	50	1	FIGF	
CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C=O)[C@H](C=O)[C@@]2(C)[C@@H](O)C[C@H]1Cl	2356449542	PVWNALVHQUKYII-JBKQDOAHSA-N	352.902	4.078	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)[nH]c3ccccc13)O2	587372162	JWGFMOCIHONEOK-FQEVSTJZSA-N	354.837	4.466	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC(C)(C)C)[C@H]1Cl	587461265	LNOXSRWBJCKSAA-KVSKMBFKSA-N	352.858	4.244	50	1	FIGF	
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C#N)=C(C)N2	43177588	YWJJBRLFZBLSNJ-GOSISDBHSA-N	360.417	4.024	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccccc1	587545733	SGTLMRXDCQLNJS-NQIIRXRSSA-N	366.800	4.488	50	1	FIGF	
C[Si](C)(N[Si](C)(C)OCCc1ccccc1)OCCc1ccccc1	195455035	XWDSFCVHADZQCH-UHFFFAOYSA-N	373.645	4.498	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)[nH]c3ccccc13)O2	587372175	JWGFMOCIHONEOK-HXUWFJFHSA-N	354.837	4.466	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])cc1C(=O)Cl	587899385	ACNNLGZPWXHSQW-UHFFFAOYSA-N	350.157	4.036	50	1	FIGF	
Cc1c(O)ccc2c1CCC/C2=N\NC(=O)Cc1cccc2ccccc12	59378805	SIIYWGTUMQUUKJ-DARPEHSRSA-N	358.441	4.253	50	1	FIGF	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](Br)[C@H]2O	263591534	LQLVHJDLPXFYPF-DYUWNPCZSA-N	371.359	4.124	50	3	FIGF	
CCCC[C@@H]1C[C@H](OC(C)=O)[C@@H]2CCCC[C@]23CC[C@@H](N=C=S)CN13	13430661	IXONKJHYKDTHBP-SLHNCBLASA-N	364.555	4.377	50	1	FIGF	biogenic
CCC(F)(F)C1=C(C#N)[C@@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C)N1	116589976	HXEASNSLBMDITE-KRWDZBQOSA-N	353.376	4.179	50	1	FIGF	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CCCCl	299848808	LPYDODHXSJLTMK-ZCPXKWAGSA-N	360.925	4.492	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O	587422450	DQGNLFHRYXRXKP-SGTLLEGYSA-N	367.203	4.369	50	1	FIGF	
C=CCSS/C=C/C[S@@](=O)CCCOCc1ccc(OC)cc1	40957707	SGBAPABFOROMHC-NCMXAVOXSA-N	372.577	4.432	50	1	FIGF	
Cc1ccc2c3c(cc([C@H](Br)C=O)nc13)-c1ccccc1C2=O	586993019	HFUZLAYNSYWXSN-OAHLLOKOSA-N	366.214	4.390	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(F)c(C)cc1F)O2	587381815	LQTWEGLOKWHUSQ-SFHVURJKSA-N	351.780	4.263	50	1	FIGF	
COc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OC	1857623356	WFAINMQUZRDRQU-UHFFFAOYSA-N	362.809	4.027	50	1	FIGF	
Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(NC(=O)CCl)cc3c12	29409797	DBTYRAXAZLBSRA-UHFFFAOYSA-N	368.742	4.186	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2ccc(C(F)(F)F)cc2[nH]1	586971625	VZABSPWZPKSJBY-JTQLQIEISA-N	351.166	4.443	50	1	FIGF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cl)CCl)nc2c1	587008241	MMAYIRGFUOLCAA-QMMMGPOBSA-N	366.042	4.021	50	1	FIGF	
CC[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21	587672713	HLMILVCGLRWSGD-AMIZOPFISA-N	365.084	4.123	50	1	FIGF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cccc(CCl)c2)N1	962965806	LTKSEFPIZWNONW-CZUORRHYSA-N	372.198	4.045	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C)c1)[C@@H](C2)C3=O	587413240	FXIRANVUKPFIJT-KXBFYZLASA-N	373.246	4.041	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cc2c3c(cccc3c1)C(=O)OC2=O	587907788	UZTNIAVKLXYJDQ-UHFFFAOYSA-N	362.768	4.212	50	1	FIGF	
C[C@@](O)(/C=C/Cl)[C@H](Cl)/C=C/[C@@](Cl)(CCl)CBr	85856526	VEKFWVZYABZACU-GGGCFCPFSA-N	370.929	4.265	50	1	FIGF	
N#C/C(=C\c1ccccc1OCCN1CCCC1)c1noc2ccccc12	40639888	CYUJWRRVLXDZJR-OBGWFSINSA-N	359.429	4.367	50	1	FIGF	
Cc1ccc(-c2nn(C[C@@H](Cl)c3ccccc3)c3ncnc(N)c23)cc1	473136384	QQYAHZXECNNZDC-MRXNPFEDSA-N	363.852	4.364	50	1	FIGF	
CC(C)(C)OC/C=C1\C(=O)O[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12	195485551	GICILCBPXYSVHO-XGIGGAPPSA-N	354.563	4.454	50	1	FIGF	
O=C(Nc1nccs1)c1c(C(Cl)Cl)nc2c(F)cccc2c1O	29239651	BKFVLUBGABXSMO-UHFFFAOYSA-N	372.208	4.265	50	1	FIGF	
CCOc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587418133	SABLQXZIXGALHI-LKNMKHRSSA-N	372.848	4.364	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(F)cc1F)[C@@H](C2)C3=O	587424769	UMPYQHOYFSDRTF-DJJJIMSYSA-N	364.775	4.164	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccccc1Cl)[C@@H](C2)C3=O	587450827	VBPFKAYUJMEYDE-LIRRHRJNSA-N	371.845	4.206	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CBr)(CC1CC1)CC2=O	587456612	SEDPSCQZZPOBFG-QGZVFWFLSA-N	353.256	4.244	50	1	FIGF	
CC1(C)C=C2C(=NN(c3ccccc3Oc3ccccc3)C(N)=C2C#N)CO1	13838692	IWEBJTWZEKWOIE-UHFFFAOYSA-N	372.428	4.084	50	1	FIGF	
O=C1CS[C@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@@H]1Cl	42888086	HAYTWGXBZPKSAY-UVPNAGLESA-N	354.661	4.040	50	1	FIGF	
CC/C=C\C[C@@H](OO)[C@@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1	102182885	OQTORMRWKPKCSO-WCCMMWEYSA-N	356.459	4.360	50	1	FIGF	
Cc1ccc(/C=C(/C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1	587187575	IWFNLKSFPVXZOZ-POHAHGRESA-N	363.730	4.349	50	1	FIGF	
C=C[C@]1(C)CC[C@]2(O1)C(C=O)=C[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@@]12C	15164540	KIFHEGOOWBXPAC-XWZZJKMASA-N	360.494	4.384	50	1	FIGF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)O2	587373051	PFQQYONQPWSPPK-ODXCJYRJSA-N	372.852	4.024	50	1	FIGF	
Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccc(SC#N)cc1	104699266	NGPBRPKWKKKRMY-UFFVCSGVSA-N	352.394	4.349	50	1	FIGF	
CC[C@H](OO)[C@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	231929727	ZXMQUTOSCPQVII-LJVYXJEZSA-N	356.459	4.360	50	1	FIGF	
CS(=O)(=O)n1cc(/C(C#N)=C/c2cccc3cnccc23)c2ccccc21	1857579374	IQJZUYVGOVICFO-GZTJUZNOSA-N	373.437	4.061	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)O)cc2[nH]1	586972980	DSHVOVFTEQOCLH-SNVBAGLBSA-N	359.223	4.308	50	1	FIGF	
C=CCc1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12	587621146	PTXUMFFESJFOPO-UHFFFAOYSA-N	369.060	4.430	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3cccc(C)c13)O2	587372667	MQUNYQMDQGIAQK-FQEVSTJZSA-N	354.837	4.466	50	1	FIGF	
Cc1nn(-c2ccc(Cl)cn2)c2c1C(=O)CC(C)(C)[C@H]2Br	61942801	SVOCNFNSBLZTCH-AWEZNQCLSA-N	368.662	4.278	50	3	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ccncc13)CC2=O	587462277	XCFUCRYMXRANHZ-HXUWFJFHSA-N	370.836	4.321	50	1	FIGF	
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccnc(CCl)n2)s1	587942040	UECYNZLHTSAEAI-UHFFFAOYSA-N	361.854	4.060	50	1	FIGF	
O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1Nc1ccnc2cc(Cl)ccc12	1772604137	HZEJWFANAINDFF-IAGOWNOFSA-N	374.227	4.112	50	1	FIGF	
CCCCC[C@H](O)C=C[C@@H]1[C@H](CCCCCCC(=O)O)[C@H]2C[C@H]1OO2	2356709644	NTAYABHEVAQSJS-NTZUZEMLSA-N	354.487	4.244	50	1	FIGF	
Cc1cccc(NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c1	1959667	KKVRXZVXWOZFBU-BUVRLJJBSA-N	359.429	4.350	50	1	FIGF	
C[C@H](Br)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587671594	UVMPDWJNPATZES-UJVNDKKSSA-N	365.084	4.121	50	1	FIGF	
CCCCOc1cc2nc(CBr)[nH]c2cc1Br	586971317	PRHZMNBORSIWHM-UHFFFAOYSA-N	362.065	4.399	50	1	FIGF	
O=c1c2ccccc2oc2cc(OCCCCBr)cc(O)c12	299822584	BDZJKRIVLYVTJL-UHFFFAOYSA-N	363.207	4.206	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)Br)O2	587376774	YBBAEYLUMJHQBL-KPZWWZAWSA-N	360.251	4.221	50	1	FIGF	
COc1ccc([C@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587422737	RQUDJOBKIDYBQV-UTKZUKDTSA-N	372.848	4.366	50	1	FIGF	
O=C(Nc1ccccc1F)c1ccc(N(CCCl)CCCl)cc1	49746456	DBHPUQBVYOYNRL-UHFFFAOYSA-N	355.240	4.362	50	1	FIGF	
C=C(C)C=CC[C@@H]1C(=O)O[C@H](OC(C)=O)[C@@H]2C(C=O)=CCC=C(C)CC[C@H]12	2356669139	NQNWKMZRJAIBCS-DYQZNNLLSA-N	372.461	4.059	50	1	FIGF	
CC[C@H](O)C=CC=CCC=CCC=CC=C[C@H](CCCC(=O)O)OO	2356463705	JIOJPWROWDJRKM-RBUKOAKNSA-N	350.455	4.432	50	1	FIGF	
COc1cc2c3c(c1)OC1([C@H](Cl)CCCCC[C@H]1Cl)[C@@H](C2)C3=O	587423358	XOJJJPUMLIBDEN-NWANDNLSSA-N	355.261	4.360	50	1	FIGF	
CCc1ccc(OC(C)=O)c(Cc2cc(CCCl)ccc2OC(C)=O)c1	64415687	FDIBPIZNHTWMOO-UHFFFAOYSA-N	374.864	4.472	50	1	FIGF	
CCOc1ccccc1C(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C	103197574	ZOCALJCNEUANCJ-UHFFFAOYSA-N	374.868	4.324	50	1	FIGF	
COc1ccc2cc([C@H](C)C(=O)N/N=C/c3c(F)cccc3F)ccc2c1	2382226805	XIMJHVGMEFUHQW-ZGUVFNMESA-N	368.383	4.380	50	1	FIGF	
Cc1ccccc1C(=O)Oc1ccc(N(CCCl)CCCl)cc1	5420170	KRRMOOMFGMSJHJ-UHFFFAOYSA-N	352.261	4.498	50	1	FIGF	
COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(=O)CCl	1857644534	IBHYNTOMJUXHIW-UHFFFAOYSA-N	369.852	4.497	50	1	FIGF	
CC[C@H](C)/C(C)=N/NC(=O)c1ccccc1OCCOc1ccccc1	4965008	ZBJITEMWDAKKFJ-MXVUGKIDSA-N	354.450	4.296	50	3	FIGF	
COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)C(=O)CCC2(C)C)OO1	49881765	QUCBMVALSQJJDY-WIBUTAKZSA-N	352.471	4.151	50	1	FIGF	biogenic
Cc1ccc(/C=C(/C#N)c2nc3c(F)cnc(Br)c3[nH]2)cc1	587187925	NDXQOUKNKRFRIG-WDZFZDKYSA-N	357.186	4.232	50	1	FIGF	
COc1cccc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)n1	963101486	BONRWQVQMPZSBH-MRXNPFEDSA-N	357.668	4.025	50	1	FIGF	
COc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	587373986	VAHLAGLFJDMINL-SFHVURJKSA-N	366.244	4.339	50	1	FIGF	
CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccc([N+](=O)[O-])cc1	58582990	XKOJBRVVDFUMEI-UHFFFAOYSA-N	363.373	4.288	50	3	FIGF	
COc1ccc2oc(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1	5582292	YDBFNALYOSVYCN-GFCCVEGCSA-N	356.809	4.006	50	1	FIGF	
CC(C)CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)/C=C/[C@H](C)Cl	103286567	JLKQXFUSWLDNMY-NTYUQYKDSA-N	359.253	4.416	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CCBr)O2	587370821	BWNKFQSMNRAZLF-QGZVFWFLSA-N	360.251	4.221	50	1	FIGF	
C=CC1=C(C)C(=O)C=C2[C@]1(OO)CC[C@@H](C(=C)C)[C@@]2(C)CCC(=O)OC	2356435770	OONMQCVQEOUVNN-DQLDELGASA-N	360.450	4.172	50	1	FIGF	
CCOC(=O)OCC[C@@]1(C)C[C@H](O)CC[C@@H]1O[Si](C)(C)C(C)(C)C	196926046	BMOGLFMOWTUGRQ-VKJFTORMSA-N	360.567	4.491	50	1	FIGF	
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(CCl)cc1	95581160	RRESDMSNRHUMGC-UHFFFAOYSA-N	371.820	4.013	50	1	FIGF	
CCOC(=O)c1ccc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)cc1	103288213	RZGIZOLBYVMYTP-VQCVXAJWSA-N	351.874	4.031	50	1	FIGF	
CC/C=C/C[C@H]1C=C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102183085	QYIHGBRMANIEFK-YTBJJFHHSA-N	356.459	4.360	50	1	FIGF	
Cc1ccc(NCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1	33339113	VBFHXBJHDFRLDK-IWIPYMOSSA-N	359.429	4.350	50	1	FIGF	
O=[N+]([O-])c1ccc2c(c1)nc(C(F)(F)C(F)(F)F)n2CCCCl	103197628	QYKKXKFWHXDJPM-UHFFFAOYSA-N	357.666	4.228	50	1	FIGF	
Cn1ccc([C@]2(CCl)c3ccsc3CCN2Cc2cccnc2)c1	963013366	QTUXAPZLCFVPDC-LJQANCHMSA-N	357.910	4.022	50	1	FIGF	
Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)c(F)c1	149720471	RRMOJHOIRNCYHJ-DJKKODMXSA-N	364.218	4.361	50	1	FIGF	
CC[C@H](OO)[C@@H]1C[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	231929722	ZXMQUTOSCPQVII-ZIMXCPNXSA-N	356.459	4.360	50	1	FIGF	
N#CC(C#N)=C1C[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc21	963112387	SKGALYZKSZOURM-JPYJTQIMSA-N	355.416	4.294	50	1	FIGF	
COc1ccc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1	49745575	ZTIZNUWTTGLAGF-UHFFFAOYSA-N	367.276	4.232	50	1	FIGF	
CC1=C(c2ncc(C)s2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3	49793475	JAYLZPUCDVLZSI-ALBUTVIKSA-N	363.479	4.428	50	1	FIGF	
CC(=O)OC[C@@H]1/C(C=O)=C\C/C=C(/C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C	238746184	SYFAUKOFHTVEDD-OUSUQJROSA-N	362.510	4.391	50	1	FIGF	
C[C@H]1C[C@H]2C[C@]3(C)O[C@@H]3[C@@]3(C)OOC(C)(C)/C3=C/C[C@]3(C)CC[C@]1(O2)O3	238749566	RWEUYQYDWXAWCX-MAIOCNGHSA-N	364.482	4.054	50	1	FIGF	
CCc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1	587372263	ICUWLLMUUPVYMK-IBGZPJMESA-N	374.278	4.395	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1Cc3ccccc31)O2	587374161	OIMBUKFWUJGPNR-KXBFYZLASA-N	372.262	4.016	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1F)([C@@H](C)Cl)O2	587387021	YYVLHDLCLJBABC-MGNBDDOMSA-N	351.780	4.343	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O	587427079	GMPKXNGLTJXLJR-JXFKEZNVSA-N	360.812	4.496	50	1	FIGF	
Cc1ccc2c3c([nH]c2c1)C(=C(/C#N)C(N)=O)/C(=C/c1ccccc1)CC3	1857561175	UYBLMBGHFSBHOQ-MNOKLWBPSA-N	353.425	4.269	50	1	FIGF	
Cc1ccc(C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	2356837476	GGEFCQGSDQCRIL-UHFFFAOYSA-N	359.385	4.086	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4	43379835	LIEYBQHAGMYZMJ-XMCPQPSBSA-N	372.461	4.008	50	1	FIGF	
COc1ccc2c(/C=C(\C#N)C(=O)c3c[nH]c4cc(OC)ccc34)c[nH]c2c1	299829809	VJMSLIHEBOZVHV-NTUHNPAUSA-N	371.396	4.456	50	1	FIGF	
CC(C)(C)c1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1	587939341	DLJOHFGTWOFNSC-UHFFFAOYSA-N	357.841	4.382	50	1	FIGF	
CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1	1857650206	JXRQVCRRGBZHRU-WORNYLJVSA-N	356.429	4.194	50	1	FIGF	
CC(=N)/C(C#N)=C(\O)CSc1nnc(Nc2c(C)cccc2C)s1	103108930	MCALGRLMTDNMHU-XXQFXPDKSA-N	359.480	4.366	50	1	FIGF	
Cc1cccc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)C	103208760	RTBGZHLREQZNAT-UHFFFAOYSA-N	373.884	4.068	50	1	FIGF	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(-c2nc3ccccc3s2)cc1	299866802	PKPYHVUGTWNAHC-LPYMAVHISA-N	373.437	4.433	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(CBr)c1)O2	587383026	WXRRLCYYRYBAQR-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
C[C@]1(c2ccc(N=C=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587571437	KRJIUDOKLIRYLC-SIKLNZKXSA-N	373.364	4.237	50	1	FIGF	
C/C(=N/NC(=O)c1nc(C(C)C)cs1)c1ccc(Br)cc1	45256027	ITEQEHSUEJCWJW-ZDLGFXPLSA-N	366.284	4.183	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(CCO)cc2[nH]1	586973601	MCAVFTQNQGVPPT-LBPRGKRZSA-N	359.267	4.144	50	1	FIGF	
O=C1c2cccnc2-c2nccc3c2c1nc1ccc(NCCCl)cc13	3933760	DNYPVNJKBKBXEJ-UHFFFAOYSA-N	360.804	4.040	50	1	FIGF	
BrCCCCc1nc(-c2ccc(Br)cc2)no1	1772584808	SOOLPUSEIJHWJP-UHFFFAOYSA-N	360.049	4.217	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2c(Cl)cnc(Cl)c2[nH]1	586971590	VKGHBWVCIFOHPG-MRVPVSSYSA-N	353.047	4.126	50	1	FIGF	
O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1	1911579288	RGNIGBCYAWXFTQ-HYARGMPZSA-N	356.385	4.119	50	1	FIGF	
O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2ccc(CCl)cc2)cc1	299832437	LXCMYAUVBPCFEY-UHFFFAOYSA-O	361.852	4.254	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@@](CCl)(CCCl)[C@H]1c1ccc(F)cc1	587327371	PTVRPYRBKAOPBS-FUHWJXTLSA-N	369.219	4.497	50	1	FIGF	
CC(C)[C@@]12C=C[C@](C)(O)CCC=C(CO)CC[C@H](Cl)[C@@](C)(CC1)O2	2356696215	OPJKSHMXGJAOQC-MTQWCTHYSA-N	356.934	4.358	50	1	FIGF	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)o1	646942	NOXKIDAEJAVKKU-GOSISDBHSA-N	368.396	4.350	50	1	FIGF	
CN1C(=O)c2cc3ccccc3n2C(=O)[C@@H]1SSCc1ccccc1	13553909	WKLCOGRHVUZWEH-IBGZPJMESA-N	368.483	4.275	50	1	FIGF	
COc1ccc(OCc2ccc(/C=N\NC(=O)c3sccc3C)o2)cc1	15989816	IGBMIUDHJIZTMU-JAIQZWGSSA-N	370.430	4.001	50	3	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43640929	SHZUNUYDQNHQJR-DVWZOKGJSA-N	360.450	4.273	50	1	FIGF	
FC(F)(F)C(F)(F)c1cc2nc(/C=C\CBr)[nH]c2cn1	586973968	PJBVYVGVKQZDMP-UPHRSURJSA-N	356.092	4.020	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cnc(Cl)[nH]c-2n1	586974776	ZNWOZLZPWTXEPY-MRVPVSSYSA-N	351.635	4.005	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C)c(C)c1)O2	587373635	MOWOOIUXQPSJIT-LJQANCHMSA-N	374.278	4.450	50	1	FIGF	
Cc1c(CNC(=O)CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	587625505	JUAGGQAAJKNMFD-UHFFFAOYSA-N	372.696	4.369	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCCCC1)O2	587370923	CRKZFTCGYUENER-QGZVFWFLSA-N	352.272	4.256	50	1	FIGF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cccc(CCl)c2)N1	962965810	LTKSEFPIZWNONW-XJKSGUPXSA-N	372.198	4.045	50	1	FIGF	
CC[C@@H](Br)[C@@]1(c2ccccn2)NCCc2cc(Cl)ccc21	963377750	DHRBTXQYBGVUDM-WBVHZDCISA-N	365.702	4.298	50	1	FIGF	
C=C(C)C=CC[C@@H]1C(=O)O[C@H](OC(C)=O)[C@H]2C(C=O)=CCC=C(C)CC[C@H]12	2356669138	NQNWKMZRJAIBCS-AQCRLBJHSA-N	372.461	4.059	50	1	FIGF	
O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1	103196310	UZTOYJLAVZZMPY-CVEARBPZSA-N	358.825	4.358	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](Cl)N=O)O2	587374437	XZYGAWLQQCMYKY-IAGOWNOFSA-N	365.216	4.423	50	1	FIGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H](C1)[C@H]2Cl	587551238	YWBDQNOSHDOLGP-OGJQZVJNSA-N	356.805	4.130	50	1	FIGF	
N#CC1=C(N)OC2=C(CCCc3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1	6041291	HPGKMOIISNROJG-LJQANCHMSA-N	359.385	4.150	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4	195241806	LIEYBQHAGMYZMJ-YZBIMUAFSA-N	372.461	4.008	50	1	FIGF	
COc1cc2c(cc1O)[C@@H]1Cc3sc(C[C@H](C)Cl)cc3CN1CC2	210436196	XIZKQKJWNKJOOA-ZBEGNZNMSA-N	363.910	4.288	50	1	FIGF	
COC(OC)C(C=O)=CC[C@@H]1[C@]2(CC[C@@H]3C(C)(C)CCC[C@@]13C)CO2	2356724010	ZEWFROGEURPWKT-OVQGTLEDSA-N	350.499	4.132	50	1	FIGF	
COc1ccc2oc(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1	1654555	YDBFNALYOSVYCN-LBPRGKRZSA-N	356.809	4.006	50	1	FIGF	
O=C(NNC(=S)NCCCCC1CCCCC1)c1ccc(Cl)cc1	96285250	QISOBBHFYDPGMO-UHFFFAOYSA-N	367.946	4.200	50	1	FIGF	
Cc1ccc(C(=O)N/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1	103227523	OGEFNXARKVRTAQ-QLYXXIJNSA-N	364.408	4.101	50	1	FIGF	
CC(C)(F)[C@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	587087495	QYVFDYJTYCSYFZ-GFCCVEGCSA-N	355.186	4.072	50	1	FIGF	
CC(C)(F)[C@H](Br)c1nc2c(F)cnc(Br)c2[nH]1	587086579	DMKMPUIFDBCNJU-SSDOTTSWSA-N	369.007	4.044	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1	587188410	RSKPGUBADPUYJA-POHAHGRESA-N	359.614	4.438	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)([C@@H](C)Cl)O2	587382147	OPKYWVKOTKOOBO-MGNBDDOMSA-N	351.780	4.343	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O	587424794	VDXMTJPOJIEGCW-YWZLYKJASA-N	360.812	4.333	50	1	FIGF	
O=P(CCCCN=C=S)(OCC(F)(F)F)OCC(F)(F)F	1772574195	PEAXKQDFFHHXFH-UHFFFAOYSA-N	359.228	4.220	50	1	FIGF	
COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1	5882757	VMMSBRNYYCAQJP-UHFFFAOYSA-N	357.885	4.369	50	1	FIGF	
COC(=O)CCCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1	95809419	SYGLVUKHXRHXAJ-HAVVHWLPSA-N	366.461	4.317	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4	194882023	LIEYBQHAGMYZMJ-GFGGXSIUSA-N	372.461	4.008	50	1	FIGF	
COC(=O)[C@H](C)[C@H]1CC[C@](C)(CCC2=C(C)C(=O)CCC2(C)C)OO1	2356684486	QUCBMVALSQJJDY-ZTQAJYAQSA-N	352.471	4.151	50	1	FIGF	
O=C(CBr)C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1	28224484	ZFXYIYZQVLFSFR-CMDGGOBGSA-N	367.266	4.262	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc[nH]2)[C@@H]1c1ccc(F)cc1	587326593	LZOPXALMIHXTJN-QUCCMNQESA-N	371.795	4.353	50	1	FIGF	
COc1cc(O)c2c(c1)/C=C/CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O	66065893	HEECBHPHEJLGSX-UUSSSYRCSA-N	366.841	4.100	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2cocn2)[C@H]1c1ccc(F)cc1	587329306	XSDOJWTZDVPFPS-HKUYNNGSSA-N	373.767	4.013	50	1	FIGF	
CC[C@H](OO)[C@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1	102183095	NEFBFYIAKJRRAE-BWTCOFFJSA-N	356.459	4.360	50	1	FIGF	
COC(=O)[C@H]1C[C@@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2	195517136	JQPMCHOKNZDRBQ-ZMMAXQRCSA-N	356.579	4.271	50	1	FIGF	
COc1cc(/C(=C\C#N)c2ccc3c(c2)c(C#N)cn3C)cc(OC)c1OC	96903353	VPBOURHZFLDBGA-IDUWFGFVSA-N	373.412	4.031	50	1	FIGF	
Cc1cc(C)c([C@]2([C@@H](C)Cl)NCCc3c(C(=O)O)cccc32)cc1C	963120302	GIGASQGGGJHMFI-QVKFZJNVSA-N	357.881	4.327	50	1	FIGF	
CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@H]1[C@@H](C)C(=O)O	2356695997	FGFQWRWPERZHEJ-COJSNBRMSA-N	360.567	4.418	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](C)Br)O2	587412117	HEIYDWSGYCOYIZ-QFYYESIMSA-N	366.280	4.283	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCCCl	587541643	CNBHGLTZKJBXMX-CRAIPNDOSA-N	367.228	4.350	50	1	FIGF	
C=C1C[C@H]2C3=C(OC(C)(C)[C@@H]2C[C@H]1OO)C(=O)C(CCCCC)=CC3=O	1857654911	VFGSBRWYCOXSIM-BFYDXBDKSA-N	360.450	4.148	50	1	FIGF	
CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	2356331383	IMUIZZGKYILUHZ-KTEGQGMCSA-N	364.913	4.056	50	1	FIGF	
Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@H]3c1ccc(Cl)cc1	103184868	NXGWUVNDJVQCOK-SFHVURJKSA-N	374.831	4.443	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1	586971719	WRWRIDAQCGIXAJ-ZETCQYMHSA-N	353.047	4.126	50	1	FIGF	
Cc1c(CCCBr)[nH]c2c1c(Br)cc1n[nH]cc12	587621555	XKSUEYJQEQKKOK-UHFFFAOYSA-N	371.076	4.443	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\Cl)(CCl)N1	587689838	WXZOVESICQJJKG-AUNYUTSTSA-N	353.062	4.309	50	1	FIGF	
[C-]#[N+]C1=C(C(F)F)Nc2onc(C)c2[C@H]1c1cc2c(C)[nH]nc2cc1F	473182966	DSQKKQXMPKXJIT-CYBMUJFWSA-N	359.311	4.260	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2c(Cl)c(Cl)cnc2[nH]1	586971855	ZHPYDOCVCVGZCG-MRVPVSSYSA-N	353.047	4.126	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587187142	CVPMPULSJWOGPZ-WDZFZDKYSA-N	369.178	4.298	50	1	FIGF	
O=C(O)c1coc([C@]2(CCl)NCCc3cccc(-c4ccccc4)c32)c1	962659439	GWTRBCICWJJCLU-NRFANRHFSA-N	367.832	4.273	50	1	FIGF	
CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3	38318659	NPTZOAKVKKFTTK-UHFFFAOYSA-N	374.531	4.184	50	1	FIGF	
C=C(C)[C@@H](CC/C(C)=C/COc1ccc2ccc(=O)oc2c1OC)OO	85968996	FDXYPABPFFVXBZ-WSYSLRRZSA-N	360.406	4.341	50	1	FIGF	
O=C(CCl)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1	169311818	JJDBWQCXAZVDEE-UHFFFAOYSA-N	371.224	4.405	50	1	FIGF	
COc1cccc(/C=N\NC(=O)C2=C(Cl)c3ccccc3CCC2)c1	299825387	MBIAPHQFOAMADE-XKZIYDEJSA-N	354.837	4.132	50	1	FIGF	
C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@@H](CC)OC)O1	59151554	ASFVDGVLCUHZLD-YZPSHYPBSA-N	361.707	4.076	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3	253647147	PUANDXJMFDLSLQ-WTPAFRAOSA-N	352.471	4.345	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(SC)cc1)[C@@H](C2)C3=O	587452159	MGENWWWMKJWUKV-KXBFYZLASA-N	360.862	4.299	50	1	FIGF	
O=C[C@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101417	GQMSGPPIEKQCMS-AWEZNQCLSA-N	352.187	4.081	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1C)O2	587370936	CUBPCLJPQHEZDV-SFHVURJKSA-N	360.251	4.141	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](C)(c1cccc4nc(CCl)oc14)[C@@H](C2)C3=O	587422755	RTOVPUCKHKRWRD-RBZFPXEDSA-N	369.804	4.238	50	1	FIGF	
CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc1oc(=O)[nH]c3cccc2c31	95578934	IODGVXVKMRAHHB-SNVBAGLBSA-N	374.824	4.352	50	1	FIGF	
COc1cc(O)c2c(c1)/C=C\CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O	101395469	HEECBHPHEJLGSX-MDUKQBBOSA-N	366.841	4.100	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Cc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4	103197487	UOPBKXGLVRLBJI-UYMMHQNYSA-N	358.478	4.480	50	1	FIGF	
N#CC1=C(N)OC2=C(CCCc3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1	1661845	HPGKMOIISNROJG-IBGZPJMESA-N	359.385	4.150	50	1	FIGF	
O=C(CCl)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1	49072162	UUAFDQIDWWPMQG-UHFFFAOYSA-N	353.731	4.426	50	1	FIGF	
CC(C)CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)/C=C/[C@@H](C)Cl	103286565	JLKQXFUSWLDNMY-RPTYSRGTSA-N	359.253	4.416	50	1	FIGF	
CCCCCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3	169339734	PUANDXJMFDLSLQ-KJSSNBPFSA-N	352.471	4.345	50	1	FIGF	
COc1cc(/C=C/C(/C=C/c2ccc(O)c(OC)c2)=C(C#N)C#N)ccc1O	43197656	FEWPBIMTTNBKSR-FCXRPNKRSA-N	374.396	4.185	50	1	FIGF	
COc1ccc([C@@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC(C)C)c(OC)c1	101682125	CVBPJMJIMMVERU-LFVOPCPISA-N	356.422	4.254	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	586974092	QNKFCGVGBXHUAP-NSHDSACASA-N	373.250	4.381	50	1	FIGF	
CCOc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587371589	GZPPDSABHGYXHD-ZUOKHONESA-N	359.853	4.464	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O	587422448	DQGNLFHRYXRXKP-KPZWWZAWSA-N	367.203	4.369	50	1	FIGF	
CCCc1c(O)ccc2c1OC1(CCC(Br)CC1)CC2=O	587459845	QDEYDTDOJRHXMG-UHFFFAOYSA-N	353.256	4.386	50	1	FIGF	
C=C1CCC[C@H]2[C@@](C)(C/C=C(/C=O)[C@H](C=O)OC(C)=O)[C@@H](C)CC[C@@]12C	29398285	JYWMQCPLXKBVTF-UDMCDLBHSA-N	360.494	4.431	50	1	FIGF	
CC/C=C\C/C=C\C[C@@H](O)[C@H](Cl)/C=C\[C@@H](O)C/C=C\CCCC(=O)O	231930296	HJEQDKXCQTVINQ-OFFWSOPXSA-N	370.917	4.376	50	1	FIGF	
C=C(C)[C@H](CCC1=CC[C@@H](/C(C)=C/CC/C(C)=C\CO)OC1=O)OO	238758281	NMQLFTCNCGSJQX-BVALAPDMSA-N	350.455	4.108	50	1	FIGF	biogenic
CCc1c2c(n(C)c1CC)CCC/C2=N\N(C)C(=O)Nc1ccccc1	40641490	ZWUDMMLUFWUJRN-HAVVHWLPSA-N	352.482	4.354	50	1	FIGF	
CC[C@@H](OO)[C@@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1	102183091	NEFBFYIAKJRRAE-JNQLVUCJSA-N	356.459	4.360	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C4CC4)c1C)[C@@H](C2)C3=O	587417543	NSSDIFZENWEZSM-UWJYYQICSA-N	371.864	4.330	50	1	FIGF	
CC(C)[C@@]12C=C[C@](C)(O)CCC=C(CO)CC[C@@H](Cl)[C@@](C)(CC1)O2	2356696216	OPJKSHMXGJAOQC-UAFMIMERSA-N	356.934	4.358	50	1	FIGF	
C[C@]12CCC(=O)C=C1[C@H](Br)C[C@@H]1[C@@H]3CCC(=O)[C@@H]3CC[C@H]12	299805778	DBVWYQFZUUZZQG-FJTDNRELSA-N	351.284	4.071	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2cccc(C(F)(F)F)c2[nH]1	586971288	QLEPMZMDWJUFGV-SNVBAGLBSA-N	351.166	4.443	50	1	FIGF	
CN/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1	103185973	DYZJDIIARKUKPK-GOSISDBHSA-N	374.831	4.395	50	1	FIGF	
COC(=O)N[C@@H]1C[C@H]2CC[C@]1(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C2	195478197	CVYVBLPISFBMMT-GPMSIDNRSA-N	369.578	4.415	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@H]1Br	587371855	HEUREXRSSJAUIT-MJGOQNOKSA-N	372.262	4.148	50	1	FIGF	
CCCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587419704	YAVSEFMYTPJVIH-UTKZUKDTSA-N	373.880	4.405	50	1	FIGF	
O=C(N/N=C/c1ccc(O)cc1)c1cccc(/N=N/Cc2ccc(O)cc2)c1	169688591	XMUWCLRKTPIYOG-WSBZWDBJSA-N	374.400	4.146	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1	586973352	IILUCBMBIPIGEB-VIFPVBQESA-N	371.238	4.192	50	1	FIGF	
CCCCCCN1C(=O)/C(=N\NC(=O)C2CCCCC2)c2ccccc21	40380649	IUYCKAVLMDNTGN-QOCHGBHMSA-N	355.482	4.014	50	1	FIGF	
c1cn(CCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cn1	43569404	NPQRJQSDELENDI-UHFFFAOYSA-N	358.482	4.291	50	1	FIGF	
COc1ccc(/C(O)=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1	59034393	XFHNRBLKUAUHPB-NXVVXOECSA-N	362.307	4.145	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)O2	587374602	YYRDNKXEBIVCLP-MPBGBICISA-N	372.852	4.024	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](C)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O	587414143	KQINUMAZZSPXNI-GDIGMMSISA-N	373.246	4.338	50	1	FIGF	
CCOC(=O)c1ccccc1SSc1n[nH]c(-c2ccccc2)n1	103213162	NWDJYQNOZSBTLH-UHFFFAOYSA-N	357.460	4.448	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](Cl)N=O)O2	587374438	XZYGAWLQQCMYKY-IRXDYDNUSA-N	365.216	4.423	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O	587451824	ZYTRVCDLDCQQMM-KXBFYZLASA-N	371.845	4.206	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](Br)C[C@H]12	61946582	LQLVHJDLPXFYPF-MZQFQAKHSA-N	371.359	4.124	50	3	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	586974091	QNKFCGVGBXHUAP-LLVKDONJSA-N	373.250	4.381	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)CCl)CC[C@H]12	2356733949	HJBLTJMKWABGPD-MVOJFTAWSA-N	367.961	4.114	50	1	FIGF	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccccc1F	58591207	BTJXAHYSRLTJBK-LJQANCHMSA-N	356.360	4.050	50	1	FIGF	
COc1ccc2c(C(=O)/C(C#N)=C/c3c[nH]c4ccc(OC)cc34)c[nH]c2c1	299825793	NIWSOGLRKIOJPL-NTUHNPAUSA-N	371.396	4.456	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2ccc(Br)cc2[nH]1	586971296	QQSVGHPKJSILPJ-JTQLQIEISA-N	362.065	4.186	50	1	FIGF	
O=C1CSC[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)N1	587043218	IZLVABQYIFXWRD-SECBINFHSA-N	359.345	4.124	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CCC(=O)C(C)(C)[C@H]2CC1	13386329	LAYMOUPGGHBQQW-BEKAIBRUSA-N	356.934	4.239	50	1	FIGF	biogenic
CC(C)(C)c1cc(C(=O)N/N=C\c2ccc(F)cc2)n(-c2ccccc2)n1	33319468	JRHQXQRAKXTTGK-UCQKPKSFSA-N	364.424	4.073	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2nc(Cl)c[nH]c-2n1	586973017	FAXPKPDUTGRZAH-MRVPVSSYSA-N	351.635	4.005	50	1	FIGF	
C[C@]12CC[C@@H]3[C@H](C[C@H](Br)C4=CC(=O)CC[C@]43C)[C@H]1CCC2=O	253682264	HAWQRBIGKRAICT-GKNJJMLASA-N	365.311	4.461	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccccc1Cl)[C@@H](C2)C3=O	587416521	AURVJSZEVHTTQS-IFXJQAMLSA-N	363.240	4.316	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(O)cc1)[C@@H](C2)C3=O	587424278	YQMIHYKUOGNSSS-OXJNMPFZSA-N	358.821	4.063	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C#N)cc1)CC2=O	587461879	UWDNLBKGWXGWMT-FQEVSTJZSA-N	355.821	4.316	50	1	FIGF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(CBr)cc1)[C@@H](C2)C3=O	587413407	OGSFVPCNRXROJV-HNAYVOBHSA-N	373.246	4.253	50	1	FIGF	
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(C(=O)c2ccccc2)cc1	38145311	BLYGTGXBTHZDMD-RELWKKBWSA-N	371.465	4.443	50	1	FIGF	
C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](Br)[C@@H]3O)[C@@H]21	13651524	ZHJMBYOGCJWPTK-UJRPEBONSA-N	365.311	4.229	50	1	FIGF	
COc1cc(OC)c([C@]2(C)NCCc3ccc(F)c(C)c32)cc1CCl	962297671	KTEPONHYSRQVQG-FQEVSTJZSA-N	363.860	4.299	50	1	FIGF	
FC(F)(F)c1cc2nc(CBr)[nH]c2cc1Br	586972200	JVCXSRLYAQUREH-UHFFFAOYSA-N	357.955	4.239	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)c1ccccc1)O2	587371764	FZAYFVAGFREUEO-ROUUACIJSA-N	360.251	4.437	50	1	FIGF	
Cc1ccc2c(c1)[C@@H]1[C@H](C=C(C=O)[C@@H](C)[C@]13C(=O)Nc1ccccc13)[C@@H](C)O2	1772584523	RLTRCGRVOKSSMC-OIONDYOQSA-N	373.452	4.141	50	1	FIGF	
CN1CCN(Cc2ccc(-c3nc4cc(N=C=S)ccc4o3)s2)CC1	28022892	BNOQRLKWCZHJOW-UHFFFAOYSA-N	370.503	4.038	50	1	FIGF	
O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccoc1	146020067	QASDWPIGWFWOSB-UHFFFAOYSA-N	372.380	4.281	50	1	FIGF	
CCOC(=O)[C@]1(CCCCCCl)c2c(F)cccc2C[C@@H]2CCCN21	963115311	VQEDHMIADXNFIS-JXFKEZNVSA-N	367.892	4.404	50	1	FIGF	
CC[C@H](OO)[C@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1	231929788	NEFBFYIAKJRRAE-CDGUWCHKSA-N	356.459	4.360	50	1	FIGF	
O=C1[C@H](Cl)[C@H](c2cccs2)N1Nc1ccnc2cc(Cl)ccc12	1772655315	SPCJXCMYZOYJQX-CABCVRRESA-N	364.257	4.468	50	1	FIGF	
C/C(=N\NC(N)=O)c1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1	2382236469	RFELGJUYXDCJQD-YDZHTSKRSA-N	365.462	4.254	50	1	FIGF	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	29398279	JYWMQCPLXKBVTF-MNLLCLBJSA-N	360.494	4.431	50	1	FIGF	
COc1ccc([C@H](Cl)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1	169348979	CDCCTVQLHSSVQV-SFHVURJKSA-N	350.809	4.429	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C3CC3)c1C)O2	587372267	KBFAVIXYKXLUDE-HXUWFJFHSA-N	358.869	4.430	50	1	FIGF	
C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1CC(=O)OCC	195483141	WENQONDXZXMCST-BFYDXBDKSA-N	352.547	4.277	50	1	FIGF	
C[C@@H]1C[C@H]2C[C@]3(C)O[C@@H]3[C@@]3(C)OOC(C)(C)C3=CC[C@@]3(C)CC[C@@]1(O2)O3	2356421723	RWEUYQYDWXAWCX-RRULIJQUSA-N	364.482	4.054	50	1	FIGF	
O=C1C[C@@H](Br)c2c(Br)sc(Br)c21	5851528	CZYXJOKMEQOKIB-UWTATZPHSA-N	374.879	4.296	50	1	FIGF	
CCOC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cnccc1-c1ccccc1	139542851	KPTVIFYXSIIULZ-OAQYLSRUSA-N	359.429	4.070	50	1	FIGF	
Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3cccc(F)c3)(C(F)(F)F)C2)cc1	1772640145	YOBCHOCJMDBRIK-IBGZPJMESA-N	374.337	4.389	50	1	FIGF	
COCOc1ccccc1CP(=O)(c1ccccc1)c1ccccc1	3099854	PIBIZPJRTBPCPE-UHFFFAOYSA-N	352.370	4.183	50	1	FIGF	biogenic
CSc1nc(N2CCCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1	13589900	NRMPPRDOWQGHRJ-HNNXBMFYSA-N	373.913	4.129	50	1	FIGF	
C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1	72174879	XVZMFOIKLJNXHI-CIAFOILYSA-N	367.336	4.148	50	1	FIGF	
FC(F)(F)Oc1cc2nc(CBr)[nH]c2cc1Br	586972500	UZYCMBKMDUWJQS-UHFFFAOYSA-N	373.954	4.119	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(F)cc1F)O2	587384700	IKUDMGIWXPVLGS-GOSISDBHSA-N	351.780	4.345	50	1	FIGF	
CC[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21	587672714	HLMILVCGLRWSGD-ISVAXAHUSA-N	365.084	4.123	50	1	FIGF	
C=C(C)C=CC[C@@H]1C(=O)O[C@H](OC(C)=O)[C@H]2C(C=O)=CCC=C(C)CC[C@@H]12	2356669141	NQNWKMZRJAIBCS-XWUOBKMESA-N	372.461	4.059	50	1	FIGF	
CCCCNC(=O)c1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1	72174793	IVVMJMNGRBIWSM-UHFFFAOYSA-N	357.406	4.132	50	1	FIGF	
CC(C)c1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1	962903271	UGJUTQLFSKNWMS-ICSRJNTNSA-N	361.844	4.030	50	1	FIGF	
O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12	49036692	IBIQOLRWRCKKAE-NVXWUHKLSA-N	359.212	4.289	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=C(C#N)C#N)c2ccccc21	587469277	MRANRVDKZFZZFG-HSZRJFAPSA-N	370.408	4.410	50	1	FIGF	
CCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587374844	ZRPPSLZXZCIOPX-FQEVSTJZSA-N	372.852	4.025	50	1	FIGF	
O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12	587637634	DUFXJHKSJBRFJT-UHFFFAOYSA-N	363.200	4.364	50	1	FIGF	
COc1cc([C@@]2(OC)C=CC3(CCCCCC3)OO2)cc(OC)c1OC	38158534	YUZLYEHYFQRXFD-HXUWFJFHSA-N	364.438	4.123	50	1	FIGF	
Cc1c(Br)cnc2[nH]c([C@@H](Br)C(C)(C)F)nc12	587086686	GRVBDPNXHJEQMN-MRVPVSSYSA-N	365.044	4.213	50	1	FIGF	
[C-]#[N+]Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587885024	UGUUJRFMXZRKMN-UHFFFAOYSA-N	357.240	4.123	50	1	FIGF	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCCO2	1772598795	DEXXGSYWCUBDIW-LFVJCYFKSA-N	372.424	4.279	50	1	FIGF	
CCC=CCC=CC[C@H](O)C=C[C@@H](Cl)[C@H](O)CC=CCCCC(=O)O	2356321566	BEZAFRRJMXICCZ-IPMKNSEASA-N	370.917	4.376	50	1	FIGF	
Cc1cc2c(cc1F)[C@](CBr)(c1ccc(Cl)o1)NCC2	962295510	DXIBBDUGOWUODZ-OAHLLOKOSA-N	358.638	4.165	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)C)CC2=O	587456609	SCSKDQNUWCGKGJ-KRWDZBQOSA-N	355.272	4.490	50	1	FIGF	
Cc1nn(CCCl)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587497108	HCUUAMWAJHQQTM-SFHVURJKSA-N	358.869	4.324	50	1	FIGF	
CC[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1	962997700	SFCSUODZYXUOMW-INIZCTEOSA-N	351.313	4.202	50	1	FIGF	
C=C1CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)Cl)[C@H](O)[C@@H]2[C@H]1C=C[C@]2(C)OO	2356510715	JFPULJNUBFSIFL-RRORWFOQSA-N	372.933	4.159	50	1	FIGF	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1	96933847	BRPLUGZSDUFPOU-QPJCPEQFSA-N	366.505	4.227	50	1	FIGF	
C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	29398276	JYWMQCPLXKBVTF-JNOZSWDQSA-N	360.494	4.431	50	1	FIGF	
CN1CCC[C@@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	40663048	RTVRGDFFGJEPRR-MIQLPHMESA-N	357.457	4.392	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@H](O)C(C)(C)C)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103104473	COOOBDYJQNNXAI-KNWKWHSJSA-N	368.514	4.034	50	1	FIGF	
CCO/C=C(\C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587333710	HEDSTCMSHWBJBP-KDQXWKEDSA-N	367.376	4.093	50	1	FIGF	
Cc1cc2c(cc1F)[C@@](CBr)(c1ccccc1F)NCC2	962297810	LEKWRSWZIWADMF-QGZVFWFLSA-N	352.222	4.057	50	1	FIGF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(C(C)(C)OC)N1	962943248	GFMLCNMZGRSNKC-KPZWWZAWSA-N	365.315	4.107	50	1	FIGF	
Cc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1	587375106	QYUXVNGYRMPZRM-GOSISDBHSA-N	360.251	4.141	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(Cl)nc2[nH]1	586971718	WRWRIDAQCGIXAJ-SSDOTTSWSA-N	353.047	4.126	50	1	FIGF	
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	2356331379	IMUIZZGKYILUHZ-DBXHCDBRSA-N	364.913	4.056	50	1	FIGF	
Cc1ccccc1[C@H]1C(C#N)=C(N)OC(c2c[nH]c3ccccc23)=C1C#N	64373410	DZELCTHYWWEIKF-HXUWFJFHSA-N	352.397	4.219	50	1	FIGF	
C[N@+]1([O-])CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	253633712	MSFDRSZROUKKAE-GWLSYYLCSA-N	373.456	4.405	50	1	FIGF	
Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2[C@@H](C)Cl	963842485	XMFVOMPVXPYPFO-SUYBPPKGSA-N	367.873	4.300	50	1	FIGF	
CS(=O)(=O)Nc1ccc(-c2csc(C(C#N)=C3CCCC3)n2)cc1	7109618	HZKOEMVFXALODS-UHFFFAOYSA-N	359.476	4.033	50	1	FIGF	
O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/C1=CCCCC1	95808860	KNSIFEXEYAMPJA-CJLVFECKSA-N	371.481	4.274	50	1	FIGF	
S=C=Nc1ccc2oc(-c3sccc3CN3CCOCC3)nc2c1	28022539	XVGCHRMHTFOGEP-UHFFFAOYSA-N	357.460	4.123	50	1	FIGF	
CC(C)=NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1	73162647	CKWNPHJJHCASAV-UHFFFAOYSA-N	358.401	4.214	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc([C@@H](C)NC(=O)CCl)cc1	587906140	RZEKHMCDPXWOLQ-CYBMUJFWSA-N	362.256	4.164	50	1	FIGF	
CN(C)CCSSCCCNC(=O)c1occc1-c1ccccc1	618017143	GORYWHRDGIPVGX-UHFFFAOYSA-N	364.536	4.010	50	1	FIGF	
COC(=O)c1ccc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1	1022112	IEPOHJOUDFKQAO-SFHVURJKSA-N	350.418	4.441	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3	195339080	NLJZTQSPHRUALZ-CNRZMOCLSA-N	352.471	4.201	50	1	FIGF	
COc1cc2c3c(c1)O[C@@H](c1ccccc1CCBr)[C@@H](C2)C3=O	587413315	MRAXTELCTDAMBY-KXBFYZLASA-N	373.246	4.121	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1C)[C@@H](C2)C3=O	587415808	YDGGONCKXZYTHM-KXBFYZLASA-N	373.246	4.041	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3	195339063	NLJZTQSPHRUALZ-VNFHWRPASA-N	352.471	4.201	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)CCCl)O2	587372826	AVAQZWDKVLMWJR-FQEVSTJZSA-N	372.852	4.025	50	1	FIGF	
CC1(C)CN[C@](CCl)(c2cccc3cc[nH]c23)c2c1ccc1c2OCO1	963391439	TUSZFKPKZLCFND-OAQYLSRUSA-N	368.864	4.260	50	1	FIGF	
CCCCCCCCCCCCCNC(=O)NNC(=O)c1ccncc1	1857645420	KTTHSVNRVZOFEW-UHFFFAOYSA-N	362.518	4.337	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2ccc(Br)cc2[nH]1	586971297	QQSVGHPKJSILPJ-SNVBAGLBSA-N	362.065	4.186	50	1	FIGF	
O=C1OC(=O)c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)ccc21	586905738	ADNYUXHHZXPUIH-UHFFFAOYSA-N	370.364	4.120	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@@H]1Br	587371852	HEUREXRSSJAUIT-HKUYNNGSSA-N	372.262	4.148	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2cccc(Br)c2[nH]1	586971294	QORDRWUUPALNNI-SNVBAGLBSA-N	362.065	4.186	50	1	FIGF	
COc1ccc([C@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC(C)C)c(OC)c1	101682121	CVBPJMJIMMVERU-WOOAAIBNSA-N	356.422	4.254	50	1	FIGF	
CCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587374847	ZRPPSLZXZCIOPX-HXUWFJFHSA-N	372.852	4.025	50	1	FIGF	
Cc1cc([C@@]2(CCCCl)NCCc3nc4ccccn4c32)ccc1F	962988346	YALFKWKZOVKZFA-HXUWFJFHSA-N	357.860	4.190	50	1	FIGF	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(Br)cn1	49088276	QQAMSASSGQJBSR-NSHDSACASA-N	361.330	4.497	50	1	FIGF	
CC(C)=CCC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@H]3O	136669453	RPDLIZRMSAIARM-NRVHICEFSA-N	354.918	4.029	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC(C)(C)C)[C@@H]1Cl	587460981	LNOXSRWBJCKSAA-HHXXYDBFSA-N	352.858	4.244	50	1	FIGF	
O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12	49036694	IBIQOLRWRCKKAE-WBVHZDCISA-N	359.212	4.289	50	1	FIGF	
O=C(CC1C2CC3CC(C2)CC1C3)NNc1c(Cl)cncc1Cl	84671137	IYBOUGACQPOKJH-UHFFFAOYSA-N	354.281	4.294	50	1	FIGF	
CCN1CCC[C@@H]1CNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21	40651533	LISOASQQRWWOAT-HNMKQIAWSA-N	356.473	4.107	50	1	FIGF	
COc1ccc2c(c1)[C@](CBr)(c1ccco1)N(C(C)C)CC2	962093004	OWMPIEIHRIHGNP-GOSISDBHSA-N	364.283	4.193	50	1	FIGF	
Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCCBr	26379374	JEKVDPGTQAESNM-UHFFFAOYSA-O	373.318	4.125	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)O2	587372490	LWISHGKBPJIHSW-MPBGBICISA-N	372.852	4.024	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCBr)N1	587674689	ZHBFZPGWLICNAY-OQPBUACISA-N	365.084	4.339	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(F)(F)F)N1	587707703	WHNITMSNYZKBIE-KSBSHMNSSA-N	360.576	4.119	50	1	FIGF	
CC(C)c1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1	962903268	UGJUTQLFSKNWMS-AZUAARDMSA-N	361.844	4.030	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](Br)c3ccccc31)O2	587373228	QJZVIJGMHNXHAS-KBXCAEBGSA-N	358.235	4.278	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2c(Cl)ncnc2[nH]1	586974745	YYNZIEPLMDMEJP-QMMMGPOBSA-N	351.635	4.053	50	1	FIGF	
N#CC(=C(O)COC(=O)CCC1CCCCC1)c1nc2ccccc2[nH]1	1857622273	HRNBLGJEIXSCKV-UHFFFAOYSA-N	353.422	4.259	50	1	FIGF	
O=c1cc(CCl)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12	101404859	YJSNRVSGQGVPBP-UHFFFAOYSA-N	362.138	4.101	50	1	FIGF	
Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C/c1ccc(O)cc1	1857758199	HKKAMHFQWPRADQ-WSDLNYQXSA-N	365.820	4.180	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1	587188205	POHGNYKBPNRHRE-POHAHGRESA-N	359.614	4.438	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1Br)CC2=O	587459783	PPXOQHUBLMNMAD-WBVHZDCISA-N	353.256	4.386	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@]2(CCl)c1ccc(C(F)(F)F)cn1	963006043	FONJRSWYNUAFAA-OAHLLOKOSA-N	360.832	4.407	50	1	FIGF	
CCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccccc1	13589887	FVIKFBIXNDQJFF-CQSZACIVSA-N	361.902	4.350	50	1	FIGF	
Fc1ccc([C@H]2OO[C@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1	136902842	CPVSDXYEYMLITN-BZSNNMDCSA-N	350.317	4.253	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Br)N1	587669083	AIRVQJQFURJCSU-OTPXZMOZSA-N	365.084	4.121	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cc(F)cc(F)c1NC(=O)CCl	587914701	GKGCFNYUFKNIRK-UHFFFAOYSA-N	370.182	4.204	50	1	FIGF	
Oc1ccc([C@]2(CCCl)c3c(F)cccc3C[C@H]3CCCN32)c(O)c1	963108436	OYWQBMCPJPZBPW-JLTOFOAXSA-N	361.844	4.130	50	1	FIGF	
CCCC[C@@H]1C[C@H](OC(C)=O)[C@@H]2CCCC[C@]23CC[C@@H](CSC#N)N13	85996358	BDGRIDDIUDXEGU-DEPCRRQNSA-N	364.555	4.488	50	1	FIGF	biogenic
Cc1nnc(NNC(=O)Nc2ccccc2)cc1Cc1ccccc1Cl	26249830	JNNCACXQMWZGJB-UHFFFAOYSA-N	367.840	4.178	50	1	FIGF	
CC(C)SC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3	45260591	PUDXJSZZKSDMHW-UHFFFAOYSA-N	374.531	4.182	50	1	FIGF	
CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587087807	VELROXSOHKRVEL-VIFPVBQESA-N	351.122	4.069	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CBr)cc1F)O2	587385027	LEZIBUJLKHTECH-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccc(SC)cc1)CCC2	38149908	OQGPFBDTUSKHNQ-OQKWZONESA-N	356.495	4.470	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@@]2(CBr)CC[C@@H]1CCCO1	963034366	YPTGGAHXPZHUHC-XJKSGUPXSA-N	358.345	4.060	50	1	FIGF	
Cc1c(F)ccc2c1[C@@](CCl)(c1cc(C)n(-c3ccon3)c1C)NCC2	962295254	CXDGEZXSIRAHGF-HXUWFJFHSA-N	373.859	4.158	50	1	FIGF	
COc1ccc([C@@H](Cl)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1	169348978	CDCCTVQLHSSVQV-GOSISDBHSA-N	350.809	4.429	50	1	FIGF	
CC/C=C\C[C@H](OO)[C@@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1	102182882	OQTORMRWKPKCSO-QQWHXOKKSA-N	356.459	4.360	50	1	FIGF	
O=C(c1coc2ccc(Cl)cc12)[C@H](Br)CBr	587276422	OJEBGRQIKGVROB-SECBINFHSA-N	366.436	4.427	50	1	FIGF	
CS(=O)(=O)c1ccc2[nH]c(CBr)c(-c3ccccc3)c2c1	587649148	RMKNFRYSUDKOQT-UHFFFAOYSA-N	364.264	4.133	50	1	FIGF	
Cc1cc2c(cc1F)[C@@H](c1ccc(OCCBr)cc1)NCC2	962148238	RWRLIKZZVJQLCK-GOSISDBHSA-N	364.258	4.143	50	1	FIGF	
O=C(CCCC[C@H]1CCSS1)NCCc1c[nH]c2ccc(O)cc12	14979702	ANAYYVXDULHHDL-HNNXBMFYSA-N	364.536	4.246	50	1	FIGF	
C=C(C)[C@@H](CCC1=CC[C@@H](C(C)=CCCC(C)=CCO)OC1=O)OO	2356470990	NMQLFTCNCGSJQX-MOPGFXCFSA-N	350.455	4.108	50	1	FIGF	
COc1c(OC)c(N(C)C)c2c(c1SSC)[C@H](OC)SCC2	14676791	VGCDDRRWSOIDJA-OAHLLOKOSA-N	361.554	4.074	50	1	FIGF	biogenic
CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3	43328060	PUANDXJMFDLSLQ-CWLROJRBSA-N	352.471	4.345	50	1	FIGF	
Cc1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	58487683	NCXDCOOLZMIBSH-OEAKJJBVSA-N	354.413	4.302	50	1	FIGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)c2ccccc12	84652775	LIDIJMSUNXFGND-NRFANRHFSA-N	359.404	4.263	50	1	FIGF	
Fc1ccc([C@@H]2OO[C@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1	136902791	CPVSDXYEYMLITN-KSZLIROESA-N	350.317	4.253	50	1	FIGF	
COCc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12	13492690	VXLLZYRSTZIKTF-SSDVNMTOSA-N	368.820	4.109	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3	195234807	NLJZTQSPHRUALZ-CWLROJRBSA-N	352.471	4.201	50	1	FIGF	
CN(C)Cc1cc(OCCCCl)ccc1Nc1ncnc2ccccc12	28703616	JHTVNMNSPLCDCT-UHFFFAOYSA-N	370.884	4.443	50	1	FIGF	
C[C@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587574635	YDPUCHBQBHBFNO-DENIHFKCSA-N	373.364	4.237	50	1	FIGF	
Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1	13445915	GZTZUEWVDCSFGB-UHFFFAOYSA-N	369.468	4.197	50	1	FIGF	
COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	58487687	LQPNSSQSNDEFCR-OEAKJJBVSA-N	370.412	4.002	50	1	FIGF	
C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC=C(C=O)[C@@H](C=O)[C@]2(C)C[C@@H](O)[C@@H]1Cl	85639226	WGZODCIFCMLVSC-OTIVAYNUSA-N	366.929	4.324	50	1	FIGF	
Cc1cnc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)s1	103167939	USGDTKBPOKYXAU-CHWSQXEVSA-N	364.257	4.348	50	1	FIGF	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccncc2)c(O)c(C(C)(C)C)c1	103224139	DCPYAQNIQIDDNW-YDZHTSKRSA-N	353.466	4.146	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CBr)c(F)c1)O2	587387171	ZVUOWUISTZRUQX-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)O2	587371270	FDVHTAFCPNAPGP-PRWKNARSSA-N	374.868	4.213	50	1	FIGF	
N#C/C(=C1\OC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1	13584334	MMECWWPRMHQXME-CCEZHUSRSA-N	359.168	4.411	50	1	FIGF	
COc1ccc(NC(=O)/C(C#N)=C(\O)c2ccc(C(F)(F)F)cc2)cc1	100879715	UDPWNKJYGLLUME-NXVVXOECSA-N	362.307	4.145	50	1	FIGF	
Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)cc1F	149722974	ILGJGLKILKMTFU-DJKKODMXSA-N	364.218	4.361	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1F)([C@H](C)Cl)O2	587387023	YYVLHDLCLJBABC-XTZNXHDOSA-N	351.780	4.343	50	1	FIGF	
N#C/C(=C1/Nc2ccccc2S1)c1cc(Br)nc(Cl)n1	13647665	AAPSRQNSBKGKAO-KPKJPENVSA-N	365.643	4.302	50	1	FIGF	
CN(C)CCSSCCCNC(=O)c1ccc(Cl)c(Cl)c1	618008296	XIEDGYFPFZWEOJ-UHFFFAOYSA-N	367.367	4.056	50	1	FIGF	
N#CC(C#N)=Cc1ccc(OCCSc2nnc(-c3ccccc3)o2)cc1	103186243	QMBKDEJDYGUTAG-UHFFFAOYSA-N	374.425	4.338	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)([C@@H](C)Cl)[C@@H](C2)C3=O	587428188	XTQYXIMVLNKTMJ-MZHDDHPNSA-N	364.775	4.244	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@@H]2[C@@]3(C(=O)Nc4ccccc43)[C@]21C#N	2356714585	CLXKBATYSCEAQF-GCWOACIFSA-N	352.865	4.412	50	1	FIGF	
COc1cc2ccnc(-c3ccc(NC(=O)CCl)cc3)c2cc1OC	29476533	AUMRBXPIVZSOIE-UHFFFAOYSA-N	356.809	4.096	50	1	FIGF	
Cc1c(F)ccc2c1[C@@](CBr)(c1cccc(F)c1F)NCC2	962143850	JVEPUXKWUXPBSH-QGZVFWFLSA-N	370.212	4.197	50	1	FIGF	
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccccc2)n1	13647738	LZHAOXGGAMNMLT-XDJHFCHBSA-N	357.442	4.499	50	1	FIGF	
O=C(CCl)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1	96908523	MMKOLWUSPIQDAS-UHFFFAOYSA-N	369.273	4.248	50	1	FIGF	
N#C/C(=C(/O)COC(=O)CCC1CCCCC1)c1nc2ccccc2[nH]1	101511627	HRNBLGJEIXSCKV-SDXDJHTJSA-N	353.422	4.259	50	1	FIGF	aggregator
Cc1c(Br)cnc2[nH]c([C@H](Br)C(C)(C)F)nc12	587086687	GRVBDPNXHJEQMN-QMMMGPOBSA-N	365.044	4.213	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)O2	587374608	YYRDNKXEBIVCLP-ODXCJYRJSA-N	372.852	4.024	50	1	FIGF	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccc(F)cc3)o2)C1	95585626	KNROVWAYLIRWRQ-TYIKUYDASA-N	369.400	4.286	50	1	FIGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(F)(F)F)N1	587707702	WHNITMSNYZKBIE-KGFZYKRKSA-N	360.576	4.119	50	1	FIGF	
Fc1c(Br)cc2nc(CCCCBr)[nH]c2c1F	586971967	BFZSAJTTZXUSSZ-UHFFFAOYSA-N	368.019	4.321	50	1	FIGF	
Cc1ccc(C2=C(C#N)C(=O)N[C@](c3cccc(F)c3)(C(F)(F)F)C2)cc1	1772640146	YOBCHOCJMDBRIK-LJQANCHMSA-N	374.337	4.389	50	1	FIGF	
N#C/C(=C(/N)Sc1ccc(N)cc1)c1cccc([C@@H](O)c2ccccc2)c1	38145386	SUBKLVYLTHFDKG-MRJHHRETSA-N	373.481	4.294	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(F)c(C)cc1F)[C@@H](C2)C3=O	587424649	QZGMTJXRZCTUOL-DJJJIMSYSA-N	364.775	4.164	50	1	FIGF	
COC(C)(C)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	587500607	SYEUKRUGKRVMIF-GOSISDBHSA-N	367.283	4.089	50	1	FIGF	
O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2	40952663	CYHYJGARVSULIA-LWYUSKRHSA-N	355.869	4.256	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2c(Cl)ncnc2[nH]1	586974744	YYNZIEPLMDMEJP-MRVPVSSYSA-N	351.635	4.053	50	1	FIGF	
COc1ccc(Cl)cc1C#CCc1cccc(C(=O)Br)c1	587898808	QSHOHNDGEAHLJF-UHFFFAOYSA-N	363.638	4.478	50	1	FIGF	
CC1(C)C=C[C@H](O)[C@](C)([C@@H]2CC[C@@](C)(Cl)[C@@H](Br)C2)O1	2356748086	SMPLCEQWPNQHKL-NUNXZZDCSA-N	351.712	4.032	50	1	FIGF	
C=CCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587417501	NEEPFYCDVYEQDV-DYESRHJHSA-N	371.864	4.181	50	1	FIGF	
C=C(C)[C@@H](CCC(C)=CCOc1ccc2ccc(=O)oc2c1OC)OO	2356597379	FDXYPABPFFVXBZ-MRXNPFEDSA-N	360.406	4.341	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	253645585	LIEYBQHAGMYZMJ-AIVGWRKGSA-N	372.461	4.008	50	1	FIGF	
C=C1CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)Cl)[C@H](O)[C@@H]2[C@@H]1C=C[C@]2(C)OO	2356510714	JFPULJNUBFSIFL-RREGROQYSA-N	372.933	4.159	50	1	FIGF	
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(=O)O	85589388	NTAYABHEVAQSJS-NDWDMBLISA-N	354.487	4.244	50	1	FIGF	endogenous,in-man
CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587372314	KGGPGKCNQSWTHW-FQEVSTJZSA-N	374.868	4.078	50	1	FIGF	
CS(=O)(=O)c1ccc2[nH]c(CBr)c(CC3CCCC3)c2c1	587648902	NXSYHOIPIUWCKC-UHFFFAOYSA-N	370.312	4.199	50	1	FIGF	
CC(=N)/C(C#N)=C(/O)CSc1nnc(Nc2c(C)cccc2C)s1	101482989	MCALGRLMTDNMHU-GPHPFPRMSA-N	359.480	4.366	50	1	FIGF	
C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(C)cc1	72174795	QJNQBRRWNOXMPS-KGENOOAVSA-N	363.373	4.317	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	103197500	PUANDXJMFDLSLQ-RLDYGABPSA-N	352.471	4.345	50	1	FIGF	
C[C@H]1C[C@H]2C[C@]3(C)O[C@@H]3[C@@]3(C)OOC(C)(C)/C3=C\C[C@]3(C)CC[C@]1(O2)O3	238781088	RWEUYQYDWXAWCX-YCKVWZNYSA-N	364.482	4.054	50	1	FIGF	
N#C/C(=C(/N)Sc1ccc(N)cc1)c1cccc(C(=O)c2ccccc2)c1	38145355	AJPFIRKVSSFSSY-LSDHQDQOSA-N	371.465	4.443	50	1	FIGF	
Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)[nH]c2cc1C	1857741856	IYFNHQGTODAYFT-ZMOGYAJESA-N	369.428	4.006	50	1	FIGF	
CN(C)c1ccc(C=NNC(=O)c2cccc3ccccc23)c(Cl)c1	17428403	DRFOYVAYYXQSPB-UHFFFAOYSA-N	351.837	4.323	50	3	FIGF	
O=C(N/N=C/c1ccc(F)c(Oc2ccccc2)c1)c1ccccc1O	95808639	PMCCUQHOCYRNNU-LPYMAVHISA-N	350.349	4.088	50	1	FIGF	
CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587087806	VELROXSOHKRVEL-SECBINFHSA-N	351.122	4.069	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)([C@H](C)Cl)[C@@H](C2)C3=O	587426171	MENVBCOYMPCFEB-VGEBCVCESA-N	364.775	4.244	50	1	FIGF	
CCOC(=O)[C@]1(CCCCCCl)c2c(F)cccc2C[C@H]2CCCN21	963115318	VQEDHMIADXNFIS-UZLBHIALSA-N	367.892	4.404	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1Cc3ccccc31)O2	587374158	OIMBUKFWUJGPNR-DNVCBOLYSA-N	372.262	4.016	50	1	FIGF	
Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccncc4)cc3)[nH]c2cc1C	1857600839	BSLXEOMAKRKVFR-ZMOGYAJESA-N	369.428	4.006	50	1	FIGF	
COc1cc(/C(C#N)=C/c2nc3ccccc3s2)cc(OC)c1OC	221225398	VEYVTGBXGBYPIR-JLHYYAGUSA-N	352.415	4.386	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](C(=O)Cl)(c1ccc(F)cc1)CC2=O	587466693	MDPNUBISNAILHB-IBGZPJMESA-N	362.784	4.110	50	1	FIGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccccc1	587545736	SGTLMRXDCQLNJS-WIYYLYMNSA-N	366.800	4.488	50	1	FIGF	
C[C@@H]1C[C@H]2C[C@]3(C)O[C@@H]3[C@]3(C)OOC(C)(C)C3=CC[C@@]3(C)CC[C@@]1(O2)O3	2356421721	RWEUYQYDWXAWCX-DKHSWGKQSA-N	364.482	4.054	50	1	FIGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@]13OO2	101271036	UVYBGNLFYBQCRJ-IFLJBQAJSA-N	362.466	4.209	50	1	FIGF	
O=C1CS[C@@H](c2c(F)cccc2Cl)N1C1[C@@H](Cl)C[C@@H]1Cl	42888090	HAYTWGXBZPKSAY-UPFKWVMWSA-N	354.661	4.040	50	1	FIGF	
N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(F)cc1	59034362	XTUWRXZHKMFCNM-PFONDFGASA-N	350.271	4.276	50	1	FIGF	
CC(C)(C)NC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3	169321479	YPIMTIAMOLMGRY-UHFFFAOYSA-N	351.487	4.076	50	1	FIGF	
CCCCC/C=C/C[C@H]1/C(=C/[C@H](CCCC(=O)O)OO)[C@@H]2C[C@@H]1OO2	231929711	RMDWPORTSLRMPB-AEXJUJJESA-N	354.443	4.271	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cnc(Cl)[nH]c-2n1	586974777	ZNWOZLZPWTXEPY-QMMMGPOBSA-N	351.635	4.005	50	1	FIGF	
C/C=C/[C@@H]1C[C@@H]([C@@H](C/C=C\CCCCCCCC(=O)OC)OO)OO1	102182908	AYJPVJZMJVVOFU-XXQCXFDYSA-N	356.459	4.360	50	1	FIGF	
FC(F)(F)C(F)(F)c1cc2nc(CCCCBr)[nH]c2cn1	586972523	VWLCWVWFGYRVMM-UHFFFAOYSA-N	372.135	4.330	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/Cl)(CCl)N1	587689712	VEQYDCWRWPIKDQ-QBEUIUBBSA-N	353.062	4.309	50	1	FIGF	
COC(OC)C(C=O)=CC[C@@H]1[C@]2(CC[C@H]3C(C)(C)CCC[C@]31C)CO2	2356724011	ZEWFROGEURPWKT-PZBISTMVSA-N	350.499	4.132	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100863359	LIEYBQHAGMYZMJ-PFNUNTBGSA-N	372.461	4.008	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(F)cc21	587471955	NGAAYCMYGOVWRF-NRFANRHFSA-N	365.360	4.144	50	1	FIGF	
C[C@@]12CC3CC(C(=O)NNc4ncnc5ccccc45)(C1)C[C@](C)(C3)C2	261116473	IWLKAVLZATXFIN-DELCKGKKSA-N	350.466	4.070	50	1	FIGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCBr)N1	587674690	ZHBFZPGWLICNAY-SDBXPKJASA-N	365.084	4.339	50	1	FIGF	
COc1cc(O)c2c(c1)C=CCCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O	299813536	HEECBHPHEJLGSX-GXTWGEPZSA-N	366.841	4.100	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(F)cc1F)[C@@H](C2)C3=O	587425606	FWVXHYBYMJKBLQ-LIRRHRJNSA-N	364.775	4.245	50	1	FIGF	
O=c1cc(CCl)oc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1O	96922495	RDKGZLRTHSBHLT-UHFFFAOYSA-N	366.244	4.027	50	1	FIGF	
Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1ccnc(CCl)n1	587941617	WSMONOLERMJAEH-UHFFFAOYSA-N	370.623	4.391	50	1	FIGF	
O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccc(F)cc1	103196306	UZTOYJLAVZZMPY-HZPDHXFCSA-N	358.825	4.358	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CBr)s1	587921242	YFOWRQLEFLJKOW-UHFFFAOYSA-N	369.667	4.388	50	1	FIGF	
CC(C)CCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3	195339083	NLJZTQSPHRUALZ-SZBWWIKHSA-N	352.471	4.201	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3	253647146	PUANDXJMFDLSLQ-KHUABEEFSA-N	352.471	4.345	50	1	FIGF	
CC(=O)SCC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587531182	GGNNFZQLYRPOPK-GOSISDBHSA-N	352.883	4.178	50	1	FIGF	
Cc1cccc(Nc2ncnc3ccc(NC(=O)NCCCl)cc23)c1	34640820	ZXLPAHMADMWUCE-UHFFFAOYSA-N	355.829	4.042	50	1	FIGF	
C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(O)CC2)OO1	43490696	QTSRTBPHHBHCFP-ORFBVSJDSA-N	352.430	4.345	50	1	FIGF	
CC/C=C\C[C@H](OO)[C@@H]1C[C@@H](/C=C/CCCCCCC(=O)OC)OO1	231929732	OQTORMRWKPKCSO-BQNWOBBUSA-N	356.459	4.360	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)O2	587371273	FDVHTAFCPNAPGP-YBTHPKLGSA-N	374.868	4.213	50	1	FIGF	
CCOc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587418132	SABLQXZIXGALHI-LAECCNGNSA-N	372.848	4.364	50	1	FIGF	
C=C[C@H](CBr)Nc1c2c(nc3ccc(OC)cc13)CCCC2	73162091	NRUOFFXMUJBBHF-GFCCVEGCSA-N	361.283	4.484	50	1	FIGF	
C[C@H]1C[C@H]2C[C@@]3(C)O[C@H]3[C@]3(C)OOC(C)(C)/C3=C/C[C@]3(C)CC[C@]1(O2)O3	238736425	RWEUYQYDWXAWCX-QFIWLFCMSA-N	364.482	4.054	50	1	FIGF	
COC(=O)c1coc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1	587497649	JQFZTBLPWSCKNA-FQEVSTJZSA-N	374.820	4.045	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1	587188264	QJBXCHLMSZUZAO-WDZFZDKYSA-N	368.190	4.088	50	1	FIGF	
O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1Nc1ccnc2cc(Cl)ccc12	1772604138	HZEJWFANAINDFF-IRXDYDNUSA-N	374.227	4.112	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@@H](O)CCl)[C@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC1	95909353	RTCKDHVITUSVDJ-ORZNMBHWSA-N	358.950	4.031	50	1	FIGF	biogenic,in-vitro
CC(=O)[C@H](Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101457	GZAHAIBHKVHYBG-SFHVURJKSA-N	366.214	4.471	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cccc4cc[nH]c14)[C@@H](C2)C3=O	587423204	UACHPAFWZMSKAU-YWZLYKJASA-N	353.805	4.058	50	1	FIGF	
CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@@H](Cl)C2=C[C@H](O)[C@H]3C[C@]21C(=O)O3	2356824034	GRGJZRKONMSMMM-SHXDFLKHSA-N	362.897	4.133	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)/C=C\[C@H](Cl)[C@@H](O)C/C=C\CCCC(=O)O	14923528	BEZAFRRJMXICCZ-OALSILADSA-N	370.917	4.376	50	1	FIGF	
CC(=O)O[C@H]1OC(=O)[C@@H](CCC=C(C)C)[C@H]2CC/C(C)=C/C/C=C(/C=O)[C@H]12	140489130	LUXFGIHVUNJRSK-BCPROMCVSA-N	374.477	4.283	50	1	FIGF	
Cc1nc2ccc(O)c3c2c(c1CCBr)-c1ccccc1C3=O	586984644	NHQDKMKSWBEXJR-UHFFFAOYSA-N	368.230	4.398	50	1	FIGF	
CN1CCC[C@H](COC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	40663046	RTVRGDFFGJEPRR-DAQNXSASSA-N	357.457	4.392	50	1	FIGF	
O=C1C[C@](CBr)(c2cccnc2)Oc2c1ccc1c2CCCC1	587501776	XUBMOZVNSKCDHU-IBGZPJMESA-N	372.262	4.216	50	1	FIGF	
N#CC1=COc2ccc(F)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	587509328	RGTXMDAKFXHXOP-JOCHJYFZSA-N	361.372	4.365	50	1	FIGF	
C[C@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587574737	YDPUCHBQBHBFNO-SIKLNZKXSA-N	373.364	4.237	50	1	FIGF	
COC(=O)[C@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)C2	254076668	JQPMCHOKNZDRBQ-MTNOOBJLSA-N	356.579	4.271	50	1	FIGF	
CC(=O)OC[C@@H]1/C(C=O)=C\C/C=C(\C)C[C@@H](O)[C@@H]1[C@H](C)CCC=C(C)C	238764546	SYFAUKOFHTVEDD-FUKRUUFSSA-N	362.510	4.391	50	1	FIGF	
O=C(CBr)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587101717	LTMCIDYNPYDRKF-UHFFFAOYSA-N	352.187	4.024	50	1	FIGF	
O=C(N/N=C/c1ccc(/C=C/C(=O)c2ccccc2F)cc1)c1ccccc1	1772585820	ZBSQIQNITXMKJV-RDSQNGBTSA-N	372.399	4.486	50	1	FIGF	
C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@H](CC)OC)O1	59151552	ASFVDGVLCUHZLD-PZWUUDOMSA-N	361.707	4.076	50	1	FIGF	
CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169372171	NLJZTQSPHRUALZ-IZOULEEASA-N	352.471	4.201	50	1	FIGF	
COc1cccc([C@]2(CCCCCl)NCCc3c(C(=O)O)cccc32)c1	963124028	PGLAFIWEZGZIIS-NRFANRHFSA-N	373.880	4.192	50	1	FIGF	
O=C(N/N=C\c1ccccn1)c1ccc(-c2nc3ccccc3s2)cc1	299866594	PCHBTLORUARFLX-XKZIYDEJSA-N	358.426	4.122	50	1	FIGF	
Fc1ccc([C@@H]2OO[C@@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1	195276668	CPVSDXYEYMLITN-KURKYZTESA-N	350.317	4.253	50	1	FIGF	
CCCC[C@@H]1C[C@H](OC(C)=O)[C@@H]2CCCC[C@]23CC[C@@H](CN=C=S)N13	85996362	HRHUTYUQWLIZHC-DEPCRRQNSA-N	364.555	4.377	50	1	FIGF	biogenic
Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1cccnc1)CCC2	299821756	GLVJJRHJIMKVQL-FSJBWODESA-N	353.853	4.400	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl	587701676	CAPKVMGWBFMOKG-QTSKLCBKSA-N	358.682	4.355	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3	194900523	PUANDXJMFDLSLQ-YDIYEOSVSA-N	352.471	4.345	50	1	FIGF	
Cc1cccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1	587373590	MGNMSDICFSJRCC-GOSISDBHSA-N	360.251	4.141	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc3nc(CCl)oc13)O2	587375727	OMXAGOLQGBQMEI-IBGZPJMESA-N	356.809	4.338	50	1	FIGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CCl)c1	587882149	MTILPZZIUAEXEH-UHFFFAOYSA-N	366.675	4.443	50	1	FIGF	
CC1(C)C=C[C@H](O)[C@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)O1	2356748084	SMPLCEQWPNQHKL-AMVBZWJASA-N	351.712	4.032	50	1	FIGF	
CC[C@@]1(CCCBr)NCCc2cc3cccc(OC)c3nc21	963064131	GNEOLQJBBAXRBE-SFHVURJKSA-N	363.299	4.170	50	1	FIGF	
[C-]#[N+]C1=C(C(F)F)Nc2onc(C)c2[C@@H]1c1cc2c(C)[nH]nc2cc1F	473182968	DSQKKQXMPKXJIT-ZDUSSCGKSA-N	359.311	4.260	50	1	FIGF	
BrCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1	586972247	KXEUVLBVGAEKKG-UHFFFAOYSA-N	355.239	4.377	50	1	FIGF	
Oc1ccc([C@@]2(CCCl)c3c(F)cccc3C[C@H]3CCCN32)c(O)c1	963108445	OYWQBMCPJPZBPW-VLIAUNLRSA-N	361.844	4.130	50	1	FIGF	
N#Cc1ccc2c(C(=O)[C@H](Br)Cc3ccccc3)coc2c1	587278094	DFMCXEBWIXMNTP-MRXNPFEDSA-N	354.203	4.493	50	1	FIGF	
COc1cc2c3c(c1)O[C@]1(C[C@@H](Br)c4ccccc41)[C@@H](C2)C3=O	587419175	XBGQDUGMZRWGIH-KHYOSLBOSA-N	371.230	4.178	50	1	FIGF	
COc1cccc2cc3c(nc12)[C@@H](CO[Si](C)(C)C(C)(C)C)NCC3	963047412	PPLGBDCJIKYTOT-MRXNPFEDSA-N	358.558	4.452	50	1	FIGF	
C=C1CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(/C=O)[C@H](C=O)OC(C)=O	169310159	JYWMQCPLXKBVTF-NCNSMNSYSA-N	360.494	4.431	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O	587427953	MCWFJDYVIBWLOA-XOBRGWDASA-N	371.795	4.197	50	1	FIGF	
N#Cc1c(Cl)c(Cl)c(S(=O)(=O)CCCl)c(Cl)c1Cl	169319669	BRFPGGCEERZVSA-UHFFFAOYSA-N	367.468	4.184	50	1	FIGF	
COC(C)(C)[C@@H](Br)c1nc2cccc(C(F)(F)F)c2[nH]1	586971287	QLEPMZMDWJUFGV-JTQLQIEISA-N	351.166	4.443	50	1	FIGF	
Cc1nc2ccccc2n1CCC(=O)N/N=C/c1cccc2ccccc12	96929707	SATVOXLKEYIHSV-HZHRSRAPSA-N	356.429	4.038	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)/C(=C\Br)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103106209	AJPNUIMWYREJHS-KUYTWENNSA-N	359.260	4.105	50	1	FIGF	
CC1(C)C=C[C@@H](O)[C@@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)O1	238783864	SMPLCEQWPNQHKL-ZZVJUGKHSA-N	351.712	4.032	50	1	FIGF	
COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1ccc(Cl)cc1	963640609	WSRUFPSVSZZYSP-BUXKBTBVSA-N	366.288	4.374	50	1	FIGF	
CN1CCc2cnn(C)c2[C@]1(CCCCCCCl)c1cccc(F)c1	963954216	IHHQPWYPTFQUBE-FQEVSTJZSA-N	363.908	4.480	50	1	FIGF	
CC1(C)COC2(CCC3(CC2)OOC2(O3)C3CCCC2CCC3)OC1	43470301	UBMLAJPUSAPTPH-UHFFFAOYSA-N	352.471	4.301	50	1	FIGF	
C=CCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587374664	ZFHINBCRCVNVEI-FQEVSTJZSA-N	358.869	4.281	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CBr)ccc1F)O2	587381873	MNIBDKBRNKGROJ-INIZCTEOSA-N	364.214	4.318	50	1	FIGF	
O=C(O)c1cccc2c1CCN[C@@]2(CCCCl)c1ccc(Cl)cc1	963119429	FAHODBVQKSFUAP-IBGZPJMESA-N	364.272	4.447	50	1	FIGF	
CC(=O)OC[C@@H]1C(C=O)=CCC=C(C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C	1857620131	SYFAUKOFHTVEDD-CIQXWFTPSA-N	362.510	4.391	50	1	FIGF	
O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)ccc21	586909267	XNTUNMSRIXGUIF-UHFFFAOYSA-N	366.682	4.213	50	1	FIGF	
O=C(CCl)Nc1ccc(SCC(=O)Nc2ccc(Cl)cc2)cc1	96908524	UEBJJVBYIOZRMU-UHFFFAOYSA-N	369.273	4.248	50	1	FIGF	
CC/C=C\C[C@H](OO)[C@H]1C[C@H](/C=C/CCCCCCC(=O)OC)OO1	102182892	OQTORMRWKPKCSO-BNVMYCHWSA-N	356.459	4.360	50	1	FIGF	
CCc1c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[nH]c(C)c1C(C)=O	587372044	JEHUZDYFPKMUQT-HXUWFJFHSA-N	374.868	4.078	50	1	FIGF	
CN(C)CCSSCCCNC(=O)c1ccc(C(C)(C)C)cc1	618012358	BYHDCYHKVQJAIX-UHFFFAOYSA-N	354.585	4.047	50	1	FIGF	
CC[C@H]1[C@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO	102183062	MJUWCOUUJKOCJT-CYHBDZFYSA-N	356.459	4.050	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C)ccc1C)O2	587370362	AMXCITRLZACLPN-LJQANCHMSA-N	374.278	4.450	50	1	FIGF	
C=CCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587374672	ZFHINBCRCVNVEI-HXUWFJFHSA-N	358.869	4.281	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	43379837	LIEYBQHAGMYZMJ-MINJWGHFSA-N	372.461	4.008	50	1	FIGF	
Fc1ccc([C@H]2OO[C@@H]3CCC[C@@](c4ccc(F)cc4)(OO2)O3)cc1	195276678	CPVSDXYEYMLITN-SQNIBIBYSA-N	350.317	4.253	50	1	FIGF	
O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc[nH]2)[C@H]1c1ccc(F)cc1	587326585	LZOPXALMIHXTJN-AZUAARDMSA-N	371.795	4.353	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)([C@H](C)Cl)O2	587382150	OPKYWVKOTKOOBO-YPMLDQLKSA-N	351.780	4.343	50	1	FIGF	
FC(F)(F)c1c(Br)ccc2nc(CBr)[nH]c12	586972054	DLMHBUBDHPVOMD-UHFFFAOYSA-N	357.955	4.239	50	1	FIGF	
O=C(OCCBr)C1(c2ccc(-c3ccccc3)c(F)c2)CC1	71329048	PJQOIRSAUOBCTD-UHFFFAOYSA-N	363.226	4.462	50	1	FIGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4O)cc3)[nH]c12	299835433	VVWKKBAPQABXHS-YDZHTSKRSA-N	370.412	4.008	50	1	FIGF	
N#CC1=COc2cc(F)ccc2[C@@]12c1ccc(C(F)(F)F)c3c1CCN32	962719206	ZLEZMWKNJHFLIV-SFHVURJKSA-N	358.294	4.264	50	1	FIGF	
CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)c(F)c2)c2ccccc12	2382230156	JPJKQJXEYUUIDY-XNTDXEJSSA-N	366.367	4.438	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)c(Cl)c1)O2	587382573	SJTGWBFTOLTVOY-KRWDZBQOSA-N	354.208	4.469	50	1	FIGF	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)Br)[C@@H](C2)C3=O	587412897	DVQUOJDBHPXXLM-KOXAJKMWSA-N	373.246	4.122	50	1	FIGF	
O=C(CS[C@@H](Cl)C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12	587279832	CNWJLBHNTBRLCU-LLVKDONJSA-N	353.705	4.384	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1C)[C@@H](C2)C3=O	587415807	YDGGONCKXZYTHM-HNAYVOBHSA-N	373.246	4.041	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(F)cc1O/C(C#N)=C\N(C)C	587917018	XEJSZLBWXZNISF-AQTBWJFISA-N	370.811	4.193	50	1	FIGF	
C=C[C@@]1(C)[C@@H](N=C)[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@H]1Cl	2356466530	JTVDRBQJMSKYJO-FZNLLOFWSA-N	372.896	4.234	50	1	FIGF	
O=C1[C@@H](Cl)[C@H](c2cccs2)N1Nc1ccnc2cc(Cl)ccc12	1772655316	SPCJXCMYZOYJQX-GJZGRUSLSA-N	364.257	4.468	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)[C@H](Cl)/C=C\[C@@H](O)C/C=C\CCCC(=O)O	231930297	HJEQDKXCQTVINQ-VPTIAMLNSA-N	370.917	4.376	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CBr)(CC1CC1)CC2=O	587456611	SEDPSCQZZPOBFG-KRWDZBQOSA-N	353.256	4.244	50	1	FIGF	
CCS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccc(OC)cc1	1857634815	KREPXHBANDJFSE-HTXNQAPBSA-N	353.447	4.234	50	1	FIGF	
CCC[C@@H]1C(C#N)=C(SCc2cccc([N+](=O)[O-])c2)NC(C)=C1C(C)=O	2462500	CPUZYIAOIFNBRK-MRXNPFEDSA-N	371.462	4.446	50	1	FIGF	
COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC2=C(C)C(=O)CCC2(C)C)OO1	42805220	QUCBMVALSQJJDY-CFLQYTFWSA-N	352.471	4.151	50	1	FIGF	biogenic
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl	587702595	DRIPHFCIRKFHKA-OUFULGJISA-N	358.682	4.355	50	1	FIGF	
CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cccc(C)c21	40848022	HJZZJIDUNVHIMF-NMWGTECJSA-N	363.461	4.056	50	1	FIGF	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2O)c(O)c(C(C)(C)C)c1	103224134	XTKKQXQJBUOSMA-YDZHTSKRSA-N	368.477	4.457	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Br)N1	587669085	AIRVQJQFURJCSU-RBDZCENOSA-N	365.084	4.121	50	1	FIGF	
COc1ccc([C@@H]2NC(=O)C(C#N)=C(SCc3ccccc3)S2)cc1	84619602	CLBRZAWDEXTRNF-GOSISDBHSA-N	368.483	4.225	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CCc1ccccc1)O2	587375447	SOIBJCCOZXZFPF-IBGZPJMESA-N	374.278	4.309	50	1	FIGF	
O=C(O)c1coc([C@@]2(CCl)NCCc3cccc(-c4ccccc4)c32)c1	962659441	GWTRBCICWJJCLU-OAQYLSRUSA-N	367.832	4.273	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](C)Br)CC2=O	587456536	QLBQDWAMXOYGKI-BMLIUANNSA-N	353.256	4.242	50	1	FIGF	
COc1cc2c3c(c1)O[C@@]1(C[C@H](Br)c4ccccc41)[C@@H](C2)C3=O	587419179	XBGQDUGMZRWGIH-YZVOILCLSA-N	371.230	4.178	50	1	FIGF	
C[C@H](Br)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587669079	AIRVQJQFURJCSU-BFHDXFOESA-N	365.084	4.121	50	1	FIGF	
NC12C[C@@H]3C[C@H](C1)CC(SSC14C[C@H]5C[C@H](CC(N)(C5)C1)C4)(C3)C2	5517425	JXMDKRQMCIHQKT-ILRARFLQSA-N	364.624	4.468	50	1	FIGF	
CCCC[C@H]1C[C@@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@H](CSC#N)N13	166229691	BDGRIDDIUDXEGU-PXTPFGJHSA-N	364.555	4.488	50	1	FIGF	
COc1cc2c3c(c1)O[C@](C)(c1cccc4nc(CCl)oc14)[C@@H](C2)C3=O	587422757	RTOVPUCKHKRWRD-RNODOKPDSA-N	369.804	4.238	50	1	FIGF	
CCc1cccc2c([C@]3(CCl)NCCc4c3c(C(C)C)nn4C)c[nH]c12	962911059	OHHLYTURIFXAKU-NRFANRHFSA-N	370.928	4.215	50	1	FIGF	
CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccccc2O)o1	95582101	YCDUJUTWROVPIV-GKVQNDRWSA-N	369.425	4.242	50	1	FIGF	
CC[C@@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/[C@@H](CCCCCCCC(=O)OC)OO	102183054	MJUWCOUUJKOCJT-MQQHSGJVSA-N	356.459	4.050	50	1	FIGF	
CC=C(C=O)[C@H]1C[C@H](OCC)n2c3c(c4ccccc42)CCN(C)[C@@H]3C1	2356533992	VRGSMYCUMKUHGF-HBGVWJBISA-N	352.478	4.261	50	1	FIGF	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1C(=O)c1ccccc1	103174580	DUBHUSSOHGBFFB-OEAKJJBVSA-N	362.816	4.335	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OC)cc1)CC2=O	587458593	CHCZEYBHZMWJIV-FQEVSTJZSA-N	360.837	4.453	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccsc1C(=O)CBr	587918883	MGZXKLVTFKMOJG-UHFFFAOYSA-N	369.667	4.388	50	1	FIGF	
COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@H]2CCl)cc1OC	1634770	GGIVBKRXKGZZFT-BFUOFWGJSA-N	364.825	4.177	50	1	FIGF	
Nc1ncnc2c1c(-c1ccc(F)cc1)nn2C[C@@H](Cl)c1ccccc1	473134957	DMATXWLHUWDWHH-OAHLLOKOSA-N	367.815	4.195	50	1	FIGF	
CC[C@@H](OO)[C@@H]1C=C[C@@H](C/C=C/CCCCCCCC(=O)OC)OO1	231929781	NEFBFYIAKJRRAE-VVJKXFFBSA-N	356.459	4.360	50	1	FIGF	
CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587372386	KVUIWFLBCLSSAE-ZUOKHONESA-N	374.868	4.213	50	1	FIGF	
C[C@@]1(c2cccc(N=C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587574738	YDPUCHBQBHBFNO-UGKGYDQZSA-N	373.364	4.237	50	1	FIGF	
CCc1ccc(CC)c([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c1	963120348	GUZNFXNJJWMLGQ-OAQYLSRUSA-N	357.881	4.138	50	1	FIGF	
Cc1ccc2c3c(cc([C@H](Cl)C(=O)N(C)C)nc13)-c1ccccc1C2=O	586992473	BOSKHLUICFDIID-SFHVURJKSA-N	364.832	4.123	50	1	FIGF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCCl)cc1)[C@@H](C2)C3=O	587423632	VAXZAWYGKZVNGG-JXFKEZNVSA-N	358.821	4.192	50	1	FIGF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\CCCC(=O)O	13836534	RDZUDQFNGNUIKH-JZFBHDEDSA-N	372.933	4.289	50	1	FIGF	in-vitro
C=C(c1ccc(C)cc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1	43130468	LDVZLSIAMUIOAP-YMBRHYMPSA-N	358.434	4.115	50	1	FIGF	
COc1ccc2c(c1)[C@@](C)(C(C#N)=C1Nc3ccccc3N1)N(C(C)C)CC2	962094824	XSUFWQZPBLLZOA-QHCPKHFHSA-N	374.488	4.450	50	1	FIGF	
O=C(NNc1cccc2ncccc12)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2	101627112	CYHYJGARVSULIA-RCRDTURJSA-N	355.869	4.256	50	1	FIGF	
C[C@@]1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1	49723087	UBCWZOKKGDETJW-GOSISDBHSA-N	369.408	4.108	50	1	FIGF	
N#C/C(=C(\O)COC(=O)CCC1CCCCC1)c1nc2ccccc2[nH]1	102653109	HRNBLGJEIXSCKV-OBGWFSINSA-N	353.422	4.259	50	1	FIGF	aggregator
Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(F)cc3)(C(F)(F)F)C2)cc1	1772606192	SOMOQAZCYVJXKH-LJQANCHMSA-N	374.337	4.389	50	1	FIGF	
CCOc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587418136	SABLQXZIXGALHI-ZXNZOMRRSA-N	372.848	4.364	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1Br)CC2=O	587459781	PPXOQHUBLMNMAD-RDJZCZTQSA-N	353.256	4.386	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4	253645588	LIEYBQHAGMYZMJ-DPMBFAGESA-N	372.461	4.008	50	1	FIGF	
Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)c(O)c3[nH]2)cc1	587187797	KWSRQTZCGOJXNN-XYOKQWHBSA-N	354.207	4.404	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cnn(C)c1-c1cccc(N=C=O)c1	587902582	HQLWNKLXLKMPOM-UHFFFAOYSA-N	363.804	4.116	50	1	FIGF	
CC(=CCO)CCC=C(C)[C@H]1CC=C(CC=CC(C)(C)OO)C(=O)O1	2356379579	ZLNLNBFSVOQEAD-GOSISDBHSA-N	350.455	4.108	50	1	FIGF	
ClC[C@@H](Cl)c1nc2c(Br)cnc(Br)c2[nH]1	587007579	GCNSFVVECXFVJH-SCSAIBSYSA-N	373.863	4.002	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C4CC4)c1C)[C@@H](C2)C3=O	587417538	NSSDIFZENWEZSM-LAUBAEHRSA-N	371.864	4.330	50	1	FIGF	
CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC=CC[C@H]3O2)CC[C@H]1Br	2356797564	OCNVHNVXTBMRBX-BJMQQELFSA-N	359.304	4.338	50	1	FIGF	
CN1/C(=C(\C#N)C(=O)COc2ccc3ccccc3c2)Nc2ccccc21	100463783	XJYVCUMECNKKQL-RELWKKBWSA-N	355.397	4.085	50	3	FIGF	
O=C(O)[C@@H]1c2ccc(Cl)c3c2CCN1[C@@]31c2ccccc2CC[C@@H]1Cl	962574080	PBNRTBXRVQQKTN-XKGZKEIXSA-N	374.267	4.135	50	1	FIGF	
COc1c(Cl)c(OC)c2c(c1C(C)=O)OC(C)(C)[C@@H](OC)[C@@H]2Cl	1857637985	QTISQBZFCNUZBT-BMIGLBTASA-N	363.237	4.026	50	1	FIGF	
C=CCO/C(O)=C1/C(C)=NC(SC)=C(C#N)[C@H]1c1ccccc1OC	618016399	XLMBTPSPRZDZPD-KAKMCVKYSA-N	356.447	4.324	50	1	FIGF	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1	58519975	GJLQLVZGJXWJBH-YDZHTSKRSA-N	358.376	4.133	50	1	FIGF	
Cc1cc(C#N)ccc1NC(=O)/C(C#N)=C(\O)c1ccc(C(F)(F)F)cc1	100870920	IQVWINQNLKDVCO-ICFOKQHNSA-N	371.318	4.317	50	1	FIGF	
COc1ccc(Cl)cc1C#CCc1ccc(C(=O)Br)cc1	587898639	NYYQUOXDEIZQGR-UHFFFAOYSA-N	363.638	4.478	50	1	FIGF	
Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(F)cc3)(C(F)(F)F)C2)cc1	1772606191	SOMOQAZCYVJXKH-IBGZPJMESA-N	374.337	4.389	50	1	FIGF	
CCC=CCC=CC[C@H](O)C=C[C@H](Cl)[C@H](O)CC=CCCCC(=O)O	2356321565	BEZAFRRJMXICCZ-GBESFXJTSA-N	370.917	4.376	50	1	FIGF	
CC[C@@H](OO)[C@H]1C=C[C@H](C/C=C/CCCCCCCC(=O)OC)OO1	102183099	NEFBFYIAKJRRAE-BPMLEYQJSA-N	356.459	4.360	50	1	FIGF	
C/C(=C/CO)CC/C=C(\C)[C@@H]1CC=C(C/C=C/C(C)(C)OO)C(=O)O1	523042472	ZLNLNBFSVOQEAD-CXFBZHFQSA-N	350.455	4.108	50	1	FIGF	biogenic
N#C/C(=C/c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	587188495	RRWGYGXRVFLVJD-YVLHZVERSA-N	351.413	4.458	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@@H](O)C(C)(C)C)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103104129	COOOBDYJQNNXAI-OWJVNTFHSA-N	368.514	4.034	50	1	FIGF	
C[C@@H]1CC[C@@H]2[C@H](CCc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	253645595	LIEYBQHAGMYZMJ-JJDPQSCYSA-N	372.461	4.008	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)O)c2[nH]1	586974286	UYHGBLMCLHZTBA-JTQLQIEISA-N	359.223	4.308	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1	586974086	QHLOGAUHSMLCPR-NSHDSACASA-N	365.234	4.353	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(F)c(C)cc1F)O2	587381812	LQTWEGLOKWHUSQ-GOSISDBHSA-N	351.780	4.263	50	1	FIGF	
O=C(N/N=C/c1ccccc1Cl)Nc1ccc(Br)cc1	1659578	LBRHNEAPZBRHJW-RQZCQDPDSA-N	352.619	4.258	50	1	FIGF	
C=C(C)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@](C)(Cl)[C@@H](Br)C1	34474279	WVROWGFVAXSAAR-MRLBHPIUSA-N	353.728	4.016	50	1	FIGF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C)Br)O2	587376777	YBBAEYLUMJHQBL-KZULUSFZSA-N	360.251	4.221	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CSC#N)(c1cccc(Cl)c1)[C@@H](C2)C3=O	587451334	XFUOIABFEIDGOK-HNAYVOBHSA-N	371.845	4.206	50	1	FIGF	
Cc1c(C(=O)N/N=C\c2ccc(C(F)(F)F)cc2)oc2cccc(O)c12	1911582565	HYBAONHJERGTFS-AFPJDJCSSA-N	362.307	4.230	50	1	FIGF	
C=C1CCC=C(C(=O)O)C[C@@H](OC(=O)C(C)=CC)CC(C)(C)C[C@H]1OO	2356422833	KJIICKUZOTZGRS-IAGOWNOFSA-N	366.454	4.280	50	1	FIGF	
COc1ccc2c(c1)CCN=C2Cc1cc(OC)c(OC)cc1CCCl	5849901	IZFZRELDOMXPMM-UHFFFAOYSA-N	373.880	4.082	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc3cn[nH]c3cc2[nH]1	586973114	FNSQYFFDCIZZSR-JTQLQIEISA-N	355.239	4.486	50	1	FIGF	
CC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1	13108503	UPWQMMRMSJFMEZ-BOPFTXTBSA-N	355.619	4.240	50	3	FIGF	
Cc1nn(-c2ccc(Cl)cn2)c2c1C(=O)CC(C)(C)[C@@H]2Br	61942802	SVOCNFNSBLZTCH-CQSZACIVSA-N	368.662	4.278	50	3	FIGF	
Cc1c(/N=N/C(C#N)=C(\O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	101946417	VEZYLHFKSMEEDS-DMHVWTDYSA-N	359.389	4.019	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(F)cc1)[C@@H](C2)C3=O	587427080	GMPKXNGLTJXLJR-OXJNMPFZSA-N	360.812	4.496	50	1	FIGF	
Cc1ccc2[nH]c3c(c2c1)CCC(=C\c1cccc(F)c1)/C3=C(\C#N)C(N)=O	1857535369	FHIUNUKEOAVOMT-CMHBCDNHSA-N	371.415	4.408	50	1	FIGF	
C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@@H](C=C[C@@H](CC)OC)O1	2356619307	ASFVDGVLCUHZLD-CWVYHPPDSA-N	361.707	4.076	50	1	FIGF	
O=C(N/N=C/c1ccncc1)c1ccc(-c2nc3ccccc3s2)cc1	299870617	WPRAHWBKIZYUTN-LPYMAVHISA-N	358.426	4.122	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(COc1ccccc1)CC2=O	587461711	XZVZEPYCYHVLTB-HXUWFJFHSA-N	360.837	4.367	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)/C=C\[C@H](Cl)[C@H](O)C/C=C\CCCC(=O)O	13385875	BEZAFRRJMXICCZ-FCFKCRHISA-N	370.917	4.376	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1C)O2	587370933	CUBPCLJPQHEZDV-GOSISDBHSA-N	360.251	4.141	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C3CC3)c1C)O2	587372244	KBFAVIXYKXLUDE-FQEVSTJZSA-N	358.869	4.430	50	1	FIGF	
COc1cc2c3c(c1)O[C@@H](c1cccc(CBr)c1)[C@@H](C2)C3=O	587411547	DKDZJBLALXAEPC-KSSFIOAISA-N	359.219	4.079	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O	587424211	YAUPSIBJCOUESL-YWZLYKJASA-N	358.821	4.105	50	1	FIGF	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCBr	587620816	HORNYRPBIGZJAX-UHFFFAOYSA-N	357.049	4.053	50	1	FIGF	
O=C(N/N=C/c1ccc(O)cc1)Nc1nc2c(ccc3ccccc32)s1	40899352	GHIYJJGZFRESBM-RGVLZGJSSA-N	362.414	4.311	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(F)c(C)cc1F)[C@@H](C2)C3=O	587424650	QZGMTJXRZCTUOL-ORAYPTAESA-N	364.775	4.164	50	1	FIGF	
COc1cc2ccnc(Cc3ccc(NCCCl)cc3)c2cc1OC	29484111	BVXMYRHYUNWVAA-UHFFFAOYSA-N	356.853	4.494	50	1	FIGF	
COc1cc2c3c(c1)O[C@]1(C[C@H](Br)c4ccccc41)[C@@H](C2)C3=O	587419157	XBGQDUGMZRWGIH-DOXZYTNZSA-N	371.230	4.178	50	1	FIGF	
S=C(SSc1ncccn1)N1CCC(Cc2ccccc2)CC1	1857644130	AEOVVRNWUPCJPL-UHFFFAOYSA-N	361.561	4.457	50	1	FIGF	
CCOc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587371584	GZPPDSABHGYXHD-RNODOKPDSA-N	359.853	4.464	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl	587702593	DRIPHFCIRKFHKA-LCVIDMSBSA-N	358.682	4.355	50	1	FIGF	
CN(Cc1cccc(-c2cccnc2)c1)C(=O)Oc1ccc([N+](=O)[O-])cc1	95569650	KINPZHLTZPZVRY-UHFFFAOYSA-N	363.373	4.288	50	3	FIGF	
COc1c(OC)c(N(C)C)c2c(c1SSC)[C@@H](OC)SCC2	14676792	VGCDDRRWSOIDJA-HNNXBMFYSA-N	361.554	4.074	50	1	FIGF	biogenic
COC(=O)[C@@H]1C[C@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C2	195517138	JQPMCHOKNZDRBQ-DFEOGRTESA-N	356.579	4.271	50	1	FIGF	
O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cccc(F)c12	587632969	TZFKAMCNWUDKFA-UHFFFAOYSA-N	373.181	4.003	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCCl)N1	587684700	LQLFLXCJJUHNDW-AMIZOPFISA-N	355.078	4.185	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](CCc3ccccc3)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	195241818	LIEYBQHAGMYZMJ-QPNVYYLDSA-N	372.461	4.008	50	1	FIGF	
Cc1c(N=N/C(C#N)=C(\O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	299813113	VEZYLHFKSMEEDS-XKULFLOYSA-N	359.389	4.019	50	1	FIGF	
COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)[nH]c1C)N(C)[C@@H](C)C2	962615948	ASTNALWRYQKQMX-RBZFPXEDSA-N	362.901	4.008	50	1	FIGF	
Cc1cc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)c(C)c1C	963130621	LKJCHPOYCNIPQP-OAQYLSRUSA-N	357.881	4.247	50	1	FIGF	
CC(=O)OC[C@@H](C)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(C)CC1	72108509	BQBJUUUFGRIDMB-KCHGYLQPSA-N	358.478	4.187	50	1	FIGF	
COC(=O)c1ccc(/N=N/N(C)C(=O)CCCCc2ccc(O)cc2)cc1	1772653519	AHMOHUSVBITGRQ-QURGRASLSA-N	369.421	4.049	50	1	FIGF	
O=C(N/N=C/C1=C(Cl)c2ccccc2CCC1)c1ccc([N+](=O)[O-])cc1	299831803	ZIKDGIZDCWDPRG-CIAFOILYSA-N	369.808	4.297	50	1	FIGF	
COC(=O)c1cc(Cl)c2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc2c1	587188412	RSUCNJPSLZPEBB-AUWJEWJLSA-N	351.793	4.376	50	1	FIGF	
CCOC(=O)CC[C@@]1(CCl)NCCc2cc(-c3ccccc3)ccc21	962663908	HDOYDCLSUVFDFC-NRFANRHFSA-N	357.881	4.277	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C)ccc1C)O2	587370360	AMXCITRLZACLPN-IBGZPJMESA-N	374.278	4.450	50	1	FIGF	
COc1ccc2c([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1	587373578	RKLIHLRQDRBOJU-HXUWFJFHSA-N	370.836	4.167	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3	253647143	PUANDXJMFDLSLQ-DCGFJQNMSA-N	352.471	4.345	50	1	FIGF	
CC[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21	587672716	HLMILVCGLRWSGD-OQPBUACISA-N	365.084	4.123	50	1	FIGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(=O)c2ccccc2)c1	38145390	BTTKVTKPCFKIHM-RELWKKBWSA-N	371.465	4.443	50	1	FIGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCCl)N1	587684705	LQLFLXCJJUHNDW-SDBXPKJASA-N	355.078	4.185	50	1	FIGF	
CCCCN(CCCC)C1=Nc2ccccc2N/C1=C(/C#N)C(=O)OCC	18045247	FWXZYEGOGCZBPL-MNDPQUGUSA-N	368.481	4.385	50	3	FIGF	
CC(C)=CCC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@H]21)CO[C@H]3O	2356560072	RPDLIZRMSAIARM-XUBFPOGISA-N	354.918	4.029	50	1	FIGF	
Fc1ccc([C@@H]2OO[C@@H]3CCC[C@](c4ccc(F)cc4)(OO2)O3)cc1	38158845	CPVSDXYEYMLITN-KZNAEPCWSA-N	350.317	4.253	50	1	FIGF	
N#C/C=C/c1ccc(/C=C2\NC(=O)C(c3ccccc3)=C2c2ccco2)o1	45349050	YTIPBMGDMNWDNO-YDCUYDEASA-N	354.365	4.491	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Nc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	44157078	HXFTZKBKSBSNIX-DVWZOKGJSA-N	359.466	4.307	50	1	FIGF	
COC(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1	586973257	HCGLUKSUPRLPDF-LLVKDONJSA-N	373.250	4.396	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)CBr	587898219	GLIODCHRTIANDG-UHFFFAOYSA-N	363.638	4.326	50	1	FIGF	
C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-n2cccc2)cc1	5943524	MKUZTMQIEGTSBK-HKOYGPOVSA-N	368.440	4.422	50	1	FIGF	
CC(/C=C\C=C\c1ccccc1)=N/NC(=O)c1cncc(Br)c1	15961452	DMNPECXZYMAVAE-UXGAMDFNSA-N	370.250	4.219	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](Br)c3ccccc31)O2	587373419	QJZVIJGMHNXHAS-KSSFIOAISA-N	358.235	4.278	50	1	FIGF	
N#CC1=C(N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1	1661843	PRCKAOQISITRQL-LJQANCHMSA-N	359.385	4.150	50	1	FIGF	
Cc1nc2[nH]c([C@@H](Br)C(C)(C)F)nc2cc1Br	587086483	AMPHDCBUKUBIEV-MRVPVSSYSA-N	365.044	4.213	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)O2	587372489	LWISHGKBPJIHSW-FKIZINRSSA-N	372.852	4.024	50	1	FIGF	
C[C@@H]1C(C=O)=C[C@H]2[C@@H](c3ccccc3OC2(C)C)[C@@]12C(=O)Nc1ccccc12	1772620187	GYZBMIVFMRKJQQ-YYFWOUJOSA-N	373.452	4.223	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)CCCl)cc1)O2	587375700	OARGDCQMIFADFA-FQEVSTJZSA-N	372.852	4.025	50	1	FIGF	
COc1cc2ccnc(Cc3ccc(NC(=O)CCl)cc3)c2cc1OC	29476889	AMCQUWCYSOPJFX-UHFFFAOYSA-N	370.836	4.020	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1Br)CC2=O	587459780	PPXOQHUBLMNMAD-NVXWUHKLSA-N	353.256	4.386	50	1	FIGF	
CCOC(=O)/C(C#N)=C/c1ccc(C#Cc2cc(Cl)ccc2OC)cc1	587906243	WDIAZLSOCSSIAT-LDADJPATSA-N	365.816	4.218	50	1	FIGF	
Cc1cc(C)c([C@@]2([C@@H](C)Cl)NCCc3c(C(=O)O)cccc32)cc1C	963120304	GIGASQGGGJHMFI-VFNWGFHPSA-N	357.881	4.327	50	1	FIGF	
C[C@](O)(C=CCl)[C@H](Cl)C=C[C@@](Cl)(CCl)CBr	2356404708	VEKFWVZYABZACU-UTLUCORTSA-N	370.929	4.265	50	1	FIGF	
CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)C(C)=CC[C@@H]2[C@]1(C)CC[C@H](Cl)C(C)(C)O1	2356875511	ZQYQKLPRNZYAFJ-DSWAIOAZSA-N	369.977	4.273	50	1	FIGF	
O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(O)c2ncccc12	49036690	IBIQOLRWRCKKAE-RDJZCZTQSA-N	359.212	4.289	50	1	FIGF	
COc1ccc(Cl)c2c1CCN[C@@H]2c1c(C)nn(CCCCl)c1C	963257055	GHOVSUUEHDUVEW-GOSISDBHSA-N	368.308	4.026	50	1	FIGF	
Cc1ccnc2c1CCN[C@@]2(CBr)c1ccc2sccc2c1	963074669	XSJPDEMGDOMUIC-SFHVURJKSA-N	373.319	4.389	50	1	FIGF	
Cc1c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)oc2ccccc12	101496318	KWDXLKZIGKBONI-VKAVYKQESA-N	373.368	4.267	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@H]1Br	587371854	HEUREXRSSJAUIT-IEBWSBKVSA-N	372.262	4.148	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccccc1Cl)O2	587374331	WTMPLGKFIYIRNJ-SFHVURJKSA-N	350.245	4.416	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/Cl)(CCl)N1	587689841	WXZOVESICQJJKG-YPICYJPRSA-N	353.062	4.309	50	1	FIGF	
Cc1cc2c(cc1F)[C@H](c1ccc(OCCBr)cc1)NCC2	962148239	RWRLIKZZVJQLCK-SFHVURJKSA-N	364.258	4.143	50	1	FIGF	
CCC=CCC=CC[C@H](O)[C@H](Cl)C=C[C@@H](O)CC=CCCCC(=O)O	2356759347	HJEQDKXCQTVINQ-OTWHNJEPSA-N	370.917	4.376	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CCBr)O2	587370811	BWNKFQSMNRAZLF-KRWDZBQOSA-N	360.251	4.221	50	1	FIGF	
O=C(NNc1ccc(C(F)(F)F)cc1)C12C3[C@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12	1857628492	OVPLASBWUUPLHC-VDISGCQMSA-N	362.395	4.077	50	1	FIGF	
O=C1CSC[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)N1	587043219	IZLVABQYIFXWRD-VIFPVBQESA-N	359.345	4.124	50	1	FIGF	
CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCBr	587621538	XDUHIFHBYMXPGS-UHFFFAOYSA-N	371.076	4.307	50	1	FIGF	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2c3ccccc3O[C@H](C)[C@H]2C=C(C=O)[C@H]1C	1772594296	TXPXNFOWBYGPMH-JVCPXEESSA-N	373.452	4.141	50	1	FIGF	
CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169372172	NLJZTQSPHRUALZ-AWKFRVKISA-N	352.471	4.201	50	1	FIGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl	587702603	DRIPHFCIRKFHKA-XRLQORTDSA-N	358.682	4.355	50	1	FIGF	
Cc1ccc(/C=C(/C#N)c2nc3cc(Br)c(C)nc3[nH]2)cc1	587188102	NQJYFIAMFODHEZ-QPEQYQDCSA-N	353.223	4.401	50	1	FIGF	
CC(=O)c1ccc(/N=N/N(C)C(=O)CCCCc2ccc(O)cc2)cc1	1772619674	VFIZCIWPMUYAET-QURGRASLSA-N	353.422	4.465	50	1	FIGF	
CC/C=C\C/C=C\C[C@H](O)[C@H](Cl)/C=C\[C@H](O)C/C=C\CCCC(=O)O	169621993	HJEQDKXCQTVINQ-SEKCTSSVSA-N	370.917	4.376	50	1	FIGF	
C[C@]1(C(Cl)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587325327	XMXYOLTWAVHBMR-PBHICJAKSA-N	355.192	4.453	50	1	FIGF	
CN[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@]1(C)[C@H]1CO1	2356875657	ZSPIUBCULNOIHY-OULVPZJFSA-N	358.913	4.163	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1CBr)O2	587387170	ZVAAAEZUSDTUAJ-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O	587417369	LZGBIAINZRXZAC-PGRDOPGGSA-N	368.860	4.456	50	1	FIGF	
Cc1sc2c(c1C)CCN[C@]2(CBr)c1ccc(F)cc1F	963025730	OVDYRINTIVTBLP-MRXNPFEDSA-N	372.278	4.427	50	1	FIGF	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccccc3)o2)C1	95583199	LVRHPKUZPFIMKT-JJTVEENBSA-N	351.410	4.147	50	1	FIGF	
CCC(=O)N/N=C(\c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1	13535336	HQMXWMFFIXBLOD-ZNTNEXAZSA-N	366.461	4.295	50	1	FIGF	
O=C(N/N=C1\C[C@H](c2ccccc2)Sc2ccccc21)c1ccncc1	1857608837	QOWKOZREDXISDL-SXKRPYPPSA-N	359.454	4.453	50	1	FIGF	
CCC(F)(F)C1=C(C#N)[C@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C)N1	116589980	HXEASNSLBMDITE-QGZVFWFLSA-N	353.376	4.179	50	1	FIGF	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1	102442204	IUMKPFCRMBPHLS-GOSISDBHSA-N	368.458	4.171	50	1	FIGF	
Fc1cc(Br)c2[nH]c(CCCCBr)nc2c1	586972466	SNADDOBSXSWDKZ-UHFFFAOYSA-N	350.029	4.182	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(F)(F)F)N1	587702737	FRHUFZDMNKIUIV-KBUNVGBDSA-N	360.576	4.119	50	1	FIGF	
C=C(C)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@@](C)(Cl)[C@@H](Br)C1	14860829	WVROWGFVAXSAAR-QMIVOQANSA-N	353.728	4.016	50	1	FIGF	biogenic
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)cc1	587884197	IAVKPARBKKOIAS-UHFFFAOYSA-N	366.675	4.443	50	1	FIGF	
CSc1nc2ccc(NC(=O)CCCSSCCN)cc2s1	618007589	GWLJIPUVOFHYLU-UHFFFAOYSA-N	373.594	4.077	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1ccccc1Cl)O2	587374330	WTMPLGKFIYIRNJ-GOSISDBHSA-N	350.245	4.416	50	1	FIGF	
C=C(C)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1	13379305	WVROWGFVAXSAAR-RYPNDVFKSA-N	353.728	4.016	50	1	FIGF	biogenic
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Cl)cc(Cl)c1	13586141	VMZILRVZGXYOAH-QGZVFWFLSA-N	360.244	4.278	50	1	FIGF	
C[C@H](Cl)CCCC(=O)c1c(CO)oc2cc(Br)cnc12	587275785	FTPRVQBXYJWQEU-QMMMGPOBSA-N	360.635	4.063	50	1	FIGF	
NNC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1	587949385	DZYJKWGCXFSGGR-ACCUITESSA-N	370.412	4.129	50	1	FIGF	
CC(=CCO)CCC=C(C)[C@@H]1CC=C(CC=CC(C)(C)OO)C(=O)O1	2356379580	ZLNLNBFSVOQEAD-SFHVURJKSA-N	350.455	4.108	50	1	FIGF	
C=CC1=C(C)C(=O)C=C2[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@@]21OO	2356435771	OONMQCVQEOUVNN-NDXORKPFSA-N	360.450	4.172	50	1	FIGF	
Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4cccnc4)cc3)[nH]c2cc1C	1857606276	IMYTWQQDXRNIBJ-ZMOGYAJESA-N	369.428	4.006	50	1	FIGF	
CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)C(C)=CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1	2356875513	ZQYQKLPRNZYAFJ-RBJBKSPJSA-N	369.977	4.273	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3cc(F)ccc13)O2	587383748	FWUAYYQVPCKOMZ-LJQANCHMSA-N	358.800	4.297	50	1	FIGF	
CC1=C(C#N)[C@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C(F)(F)F)N1C	116586748	JVLIJULZEKHEPQ-INIZCTEOSA-N	357.339	4.038	50	1	FIGF	
[C-]#[N+][C@@H]1[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C	238784311	FXUGCACUUONQJC-ZLJARMQBSA-N	370.880	4.452	50	1	FIGF	
N#C/C(=C1\SCC(=O)N1c1ccccc1)c1nc2cc(Cl)ccc2[nH]1	53243293	JNTYDXTZDAQVBN-QGOAFFKASA-N	366.833	4.188	50	1	FIGF	
N#C/C(=C\c1cn(CCCC(=O)O)c2ccccc12)C(=O)Nc1ccccc1	96271132	LQFAYKYETKITCU-DTQAZKPQSA-N	373.412	4.052	50	1	FIGF	
Cc1cc(C)c([C@]2([C@H](C)Cl)NCCc3c(C(=O)O)cccc32)cc1C	963120306	GIGASQGGGJHMFI-YCRPNKLZSA-N	357.881	4.327	50	1	FIGF	
CCCNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	28641399	WWZFACXKKCRMRG-UHFFFAOYSA-N	363.505	4.347	50	1	FIGF	
C[C@]1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=C(C#N)C(=C(C#N)C#N)N1	73241629	HMJHUCLFBGAWRD-JOCHJYFZSA-N	372.378	4.452	50	1	FIGF	
CC/C=C/C[C@@H]1C=C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO1	102183083	QYIHGBRMANIEFK-KEZRCWDGSA-N	356.459	4.360	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](Cl)N=O)O2	587374435	XZYGAWLQQCMYKY-DLBZAZTESA-N	365.216	4.423	50	1	FIGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCO3	586973028	FBBJFJAHJYKXLU-JTQLQIEISA-N	359.223	4.338	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C)c1)[C@@H](C2)C3=O	587413239	FXIRANVUKPFIJT-HNAYVOBHSA-N	373.246	4.041	50	1	FIGF	
CCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587418661	UVLCJJVRWUMTMI-OXQOHEQNSA-N	359.853	4.015	50	1	FIGF	
N#CC1=C(N)Oc2c(c(O)nc3c2ccc2ccccc23)[C@H]1c1ccccc1	1857539192	MUMIUYVLWUXCQD-SFHVURJKSA-N	365.392	4.312	50	1	FIGF	
CC(C)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	28642303	WZXGCZLVNRDOEK-UHFFFAOYSA-N	363.505	4.345	50	1	FIGF	
CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3F)c(CCl)c2c1	587649463	JWAXNOSDIFOSCN-UHFFFAOYSA-N	355.793	4.255	50	1	FIGF	
O=C(N/N=C/c1ccccc1)c1nc2ccccc2nc1-c1ccccc1	40393313	UOFVYAGCRDWLIS-HZHRSRAPSA-N	352.397	4.061	50	1	FIGF	
CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccnc(CCl)n1	587939662	ICIPFORUCVLMSZ-UHFFFAOYSA-N	371.868	4.480	50	1	FIGF	
CCc1ccc(/C=N/NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)o1	2382256040	RTUPBPUNXACILN-KOUDTOEKSA-N	350.418	4.258	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O	587421903	OEAKXEGABIRNQX-BTYIYWSLSA-N	367.832	4.367	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](Br)C[C@H]12	61946910	LQLVHJDLPXFYPF-HBJJVZSZSA-N	371.359	4.124	50	3	FIGF	
O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1cccs1	135831775	XZYQXPUXVWUGJI-UHFFFAOYSA-N	370.257	4.050	50	1	FIGF	
CCCC[C@H]1C[C@@H](OC(C)=O)[C@@H]2CCCC[C@@]23CC[C@H](N=C=S)CN13	166167308	IXONKJHYKDTHBP-WKWVNEEDSA-N	364.555	4.377	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(F)cc1F)O2	587382183	PFYWYKPUXQIQDD-GOSISDBHSA-N	351.780	4.263	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Cc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103197489	UOPBKXGLVRLBJI-OFKABPELSA-N	358.478	4.480	50	1	FIGF	
Cc1nc2[nH]c([C@H](Br)C(C)(C)F)nc2cc1Br	587086484	AMPHDCBUKUBIEV-QMMMGPOBSA-N	365.044	4.213	50	1	FIGF	
CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@](C)(Br)[C@H](Cl)C1	2356431172	FEQAISWHFUFFRA-UXOAXIEHSA-N	353.728	4.016	50	1	FIGF	
N#CC1=C(/N=C/N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Cl)cc1	103184864	GRGWOBONVHJUTG-KRWDZBQOSA-N	360.804	4.135	50	1	FIGF	
CC(C)=CCC[C@]1(C)[C@H](Cl)C[C@H](O)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@H]21	2356449544	PVWNALVHQUKYII-XHYRXIGBSA-N	352.902	4.078	50	1	FIGF	
O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2	101627107	CYHYJGARVSULIA-NILVNCKXSA-N	355.869	4.256	50	1	FIGF	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](Br)[C@@H]2O	118917889	LQLVHJDLPXFYPF-CJZYGSATSA-N	371.359	4.124	50	3	FIGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCBr)N1	587673471	NBXQJWXJTYGCFA-KWQFWETISA-N	365.084	4.339	50	1	FIGF	
O=C1C[C@H](Br)c2c(Br)sc(Br)c21	1658023	CZYXJOKMEQOKIB-REOHCLBHSA-N	374.879	4.296	50	1	FIGF	
O=C(Nc1nccs1)c1c(C(Cl)Cl)nc2ccccc2c1O	29241791	GLLMXKKUZIHSBW-UHFFFAOYSA-N	354.218	4.125	50	1	FIGF	
COC(=O)c1cc(Cl)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1	587086534	CLEALYVYRCSOSO-JTQLQIEISA-N	363.614	4.187	50	1	FIGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(F)(F)F)N1	587702782	FRHUFZDMNKIUIV-UPONEAKYSA-N	360.576	4.119	50	1	FIGF	
CN1CCc2c(Br)cccc2[C@@]1(CBr)CC1CC1	963279879	KMLTZRBSYASUKM-HNNXBMFYSA-N	373.132	4.327	50	1	FIGF	
CC(=O)O[C@@H]1OC(=O)[C@H](CCC=C(C)C)[C@@H]2CCC(C)=CCC=C(C=O)[C@@H]12	2356664195	LUXFGIHVUNJRSK-GPQLQYNLSA-N	374.477	4.283	50	1	FIGF	
C#C/C=C\C[C@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@@H](CC)OC)O1	59151556	ASFVDGVLCUHZLD-UBRBANOWSA-N	361.707	4.076	50	1	FIGF	
Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(Cl)Cl)s1	103296418	ZBPNQZUMVHBPQA-UNOMPAQXSA-N	369.195	4.097	50	1	FIGF	
COC(=O)[C@@H](Cl)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O	587102216	RZRQAMAAFMAAPV-KRWDZBQOSA-N	351.789	4.208	50	1	FIGF	
COc1cc2c3c(c1)O[C@H](c1ccc(CBr)cc1)[C@@H](C2)C3=O	587411211	CBFZWHMCYVMIEO-KBXCAEBGSA-N	359.219	4.079	50	1	FIGF	
CCOC(=O)[C@@]1(CCCCCCCl)NCCc2ccc(F)c(C)c21	962295364	DFOCXZNOLCEKNO-IBGZPJMESA-N	355.881	4.228	50	1	FIGF	
Cc1cc2c(cc1F)[C@](CBr)(c1ccccc1F)NCC2	962297804	LEKWRSWZIWADMF-KRWDZBQOSA-N	352.222	4.057	50	1	FIGF	
O=c1c2ccccc2sc2cc(OC[C@@H](S)CCl)cc(O)c12	198496440	KADRWUVLKYBXNL-JTQLQIEISA-N	352.864	4.036	50	1	FIGF	
Cc1c(CBr)nc2ccc(O)c3c2c1-c1ccccc1C3=O	586985684	ZMJFUGUCNQCLMQ-UHFFFAOYSA-N	354.203	4.355	50	1	FIGF	
Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2[C@H](C)Cl	963842482	XMFVOMPVXPYPFO-DXCKQFNASA-N	367.873	4.300	50	1	FIGF	
CC(=O)O[C@@H]1CC(=O)[C@H]([C@@H]2C(C=O)=CC[C@@H]2C(C)=CCC=C(C)C)[C@@H]1C	2356514773	MKCNQEVJTWJBPS-GREXAQRUSA-N	358.478	4.207	50	1	FIGF	
COc1ccc([C@@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587422733	RQUDJOBKIDYBQV-DYESRHJHSA-N	372.848	4.366	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](C)Br)CC2=O	587456537	QLBQDWAMXOYGKI-BTDLBPIBSA-N	353.256	4.242	50	1	FIGF	
NC(=O)N/N=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26841381	KLQACCFRNJVGMT-YDZHTSKRSA-N	355.401	4.134	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(SC)cc1)[C@@H](C2)C3=O	587452156	MGENWWWMKJWUKV-HNAYVOBHSA-N	360.862	4.299	50	1	FIGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCCl)N1	587683434	HAXIKLHZUKLNKK-SDBXPKJASA-N	355.078	4.185	50	1	FIGF	
CN1CCc2cnn(C)c2[C@@]1(CCCCCCCl)c1cccc(F)c1	963954217	IHHQPWYPTFQUBE-HXUWFJFHSA-N	363.908	4.480	50	1	FIGF	
CC(=O)OC[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@H]1[C@@H](C)CCC=C(C)C	2356760921	SYFAUKOFHTVEDD-XGARDCMYSA-N	362.510	4.391	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CCc1ccccc1)O2	587375448	SOIBJCCOZXZFPF-LJQANCHMSA-N	374.278	4.309	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCC1)CC2=O	587456389	NZOXDMKIQYMFCQ-KRWDZBQOSA-N	353.256	4.244	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(F)cc1F)O2	587384701	IKUDMGIWXPVLGS-SFHVURJKSA-N	351.780	4.345	50	1	FIGF	
C[C@@H](Cl)C(=O)n1cc(-c2ocnc2Br)c2ccccc21	103292284	IOMWISAUIDOFGP-MRVPVSSYSA-N	353.603	4.326	50	1	FIGF	
Cc1cc(=O)c(O)c([C@@H](O)c2ccc(S(F)(F)(F)(F)F)cc2)o1	1857656142	YXRKHKVOVIGIHA-NSHDSACASA-N	358.284	4.393	50	1	FIGF	
Cl[C@H](Cn1ncc2c(N3CCCCCC3)ncnc21)c1ccccc1	40913481	KYWSQKJNKHTTQT-QGZVFWFLSA-N	355.873	4.187	50	1	FIGF	
O=C1C[C@@](C(=O)Cl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1	587507126	UKCZMRVYJYWEGY-FQEVSTJZSA-N	358.796	4.331	50	1	FIGF	
N#C/C(=C/c1ccccc1)c1nc2ccc(I)cc2[nH]1	587186921	AGZCBOFCJPMLLC-WQLSENKSSA-N	371.181	4.232	50	1	FIGF	
CC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587372385	KVUIWFLBCLSSAE-XCLFUZPHSA-N	374.868	4.213	50	1	FIGF	
O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)CC[C@@H]2C1	26173591	TYVBLADYKHCZPO-VMKHBPOISA-N	369.465	4.411	50	1	FIGF	
CC(C)CCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3	195339070	NLJZTQSPHRUALZ-YDIYEOSVSA-N	352.471	4.201	50	1	FIGF	
C=C[C@@]1(C)[C@H](Cl)C[C@@H]2[C@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1N=C	238761848	JTVDRBQJMSKYJO-KJNIPBNHSA-N	372.896	4.234	50	1	FIGF	
COc1cccc2cc3c(nc12)[C@H](CO[Si](C)(C)C(C)(C)C)NCC3	963047411	PPLGBDCJIKYTOT-INIZCTEOSA-N	358.558	4.452	50	1	FIGF	
C=C(C)[C@H](CCC1=CC[C@@H](C(C)=CCCC(C)=CCO)OC1=O)OO	2356470991	NMQLFTCNCGSJQX-OALUTQOASA-N	350.455	4.108	50	1	FIGF	
CC[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2C[C@H](Cl)C2=C[C@H](O)[C@H]3C[C@]21C(=O)O3	2356824033	GRGJZRKONMSMMM-SBZQVTKJSA-N	362.897	4.133	50	1	FIGF	
CCc1ccc([C@@]2(CCBr)NCCc3c(C)ccnc32)cc1	963064665	BUNOMIJKTWGYGM-LJQANCHMSA-N	359.311	4.127	50	1	FIGF	
N#CC(=C(/N)Sc1cccs1)/C(C#N)=C(\N)Sc1cccs1	34802602	URBJMZJLBGFLAN-UTLPMFLDSA-N	362.530	4.082	50	1	FIGF	
CN1CCC[C@@H](C/N=C2\Nc3ccccc3/C(=C/C#N)c3ccccc32)C1	40375256	ZYIBEVOITKZFJA-DAQNXSASSA-N	356.473	4.156	50	1	FIGF	
COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)[nH]c1C)N(C)[C@H](C)C2	962615953	ASTNALWRYQKQMX-XCLFUZPHSA-N	362.901	4.008	50	1	FIGF	
C=C[C@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@H]2[C@]1(C#N)[C@@]21C(=O)Nc2ccccc21	2356714587	CLXKBATYSCEAQF-QYFBZWOXSA-N	352.865	4.412	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cccc(C(=O)CBr)c1	587899064	YQNQOJQNMFBQFJ-UHFFFAOYSA-N	363.638	4.326	50	1	FIGF	
Cl[C@H](Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1	29136061	SEFWYTXTKMMUEF-GOSISDBHSA-N	363.852	4.419	50	1	FIGF	
COC(C)(C)[C@H](Br)c1nc2ccc(C(F)(F)F)cc2[nH]1	586971626	VZABSPWZPKSJBY-SNVBAGLBSA-N	351.166	4.443	50	1	FIGF	
CC(C)(F)[C@@H](Br)c1nc2c(F)cnc(Br)c2[nH]1	587086580	DMKMPUIFDBCNJU-ZETCQYMHSA-N	369.007	4.044	50	1	FIGF	
Cc1ccc(/C=C(\C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1	587187576	IWFNLKSFPVXZOZ-UXBLZVDNSA-N	363.730	4.349	50	1	FIGF	
Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1ccnc(CCl)n1	587941507	VOUBOLBPLMGHSI-UHFFFAOYSA-N	370.623	4.391	50	1	FIGF	
CCc1ccc([C@]2(CCBr)NCCc3c(C)ccnc32)cc1	963064663	BUNOMIJKTWGYGM-IBGZPJMESA-N	359.311	4.127	50	1	FIGF	
CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1Br	1857623205	FMULDRRTPXJWII-UHFFFAOYSA-N	355.235	4.305	50	1	FIGF	
CC[C@]1(C)CCC2=C1CC[C@H]1[C@H]2C[C@@H](Cl)C2=C[C@@H](O)[C@@H]3C[C@@]21C(=O)O3	1772585641	GRGJZRKONMSMMM-FQRSPDSGSA-N	362.897	4.133	50	1	FIGF	
O=C(CCCC[C@@H]1CCSS1)Oc1ccc2ccc(=O)oc2c1	1857641117	CWOQPBFRGISTRH-CQSZACIVSA-N	350.461	4.413	50	1	FIGF	
COc1cc(OC)c([C@@]2(C)NCCc3ccc(F)c(C)c32)cc1CCl	962297673	KTEPONHYSRQVQG-HXUWFJFHSA-N	363.860	4.299	50	1	FIGF	
C=C[C@@]1(C)[C@H](Cl)C[C@H]2[C@@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1N=C	238737280	JTVDRBQJMSKYJO-ZLJARMQBSA-N	372.896	4.234	50	1	FIGF	
CCCNCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	49808494	GACMRVRVHMIHCO-UHFFFAOYSA-N	363.485	4.103	50	1	FIGF	
CCC=CCC=CC[C@H](O)[C@@H](Cl)C=C[C@H](O)CC=CCCCC(=O)O	2356759349	HJEQDKXCQTVINQ-QYZOEREBSA-N	370.917	4.376	50	1	FIGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103105948	SHZUNUYDQNHQJR-BLWYLUKMSA-N	360.450	4.273	50	1	FIGF	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3CBr	587100897	BIPPVJNJVXILIN-SNVBAGLBSA-N	350.215	4.481	50	1	FIGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccc4)[C@@]13OO2	100835474	UVYBGNLFYBQCRJ-NXNFSMPISA-N	362.466	4.209	50	1	FIGF	
CC(=N)/C(C#N)=C(\O)CSc1nnc(Nc2cccc(C)c2C)s1	103108946	KCTQJNVXQHSSCM-ZTQITYCVSA-N	359.480	4.366	50	1	FIGF	
N#C/C(=C\c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1	587188210	POHGNYKBPNRHRE-UXBLZVDNSA-N	359.614	4.438	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(F)cc1F)[C@@H](C2)C3=O	587425605	FWVXHYBYMJKBLQ-IFXJQAMLSA-N	364.775	4.245	50	1	FIGF	
O=C(O)c1cccc2c1CCN[C@]2(CCCCl)c1ccc(Cl)cc1	963119430	FAHODBVQKSFUAP-LJQANCHMSA-N	364.272	4.447	50	1	FIGF	
COc1ccc(Nc2ccc(C(=O)C(Cl)Cl)cc2[N+](=O)[O-])cc1	2382222851	TYQIYICKTSNILS-UHFFFAOYSA-N	355.177	4.333	50	1	FIGF	
Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2[C@@H](C)Cl	963842483	XMFVOMPVXPYPFO-MRRJBJDNSA-N	367.873	4.300	50	1	FIGF	
CC(=O)O[C@@H]1CC(=O)[C@H]([C@@H]2C(C=O)=CC[C@H]2C(C)=CCC=C(C)C)[C@@H]1C	2356514776	MKCNQEVJTWJBPS-VEUCTLLHSA-N	358.478	4.207	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)O2	587372493	LWISHGKBPJIHSW-YUNKPMOVSA-N	372.852	4.024	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3cccc(C)c13)O2	587372669	MQUNYQMDQGIAQK-HXUWFJFHSA-N	354.837	4.466	50	1	FIGF	
Cc1cc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)c(C)c1C	963130620	LKJCHPOYCNIPQP-NRFANRHFSA-N	357.881	4.247	50	1	FIGF	
CC1(C)CN[C@@](CCl)(c2cccc3cc[nH]c23)c2c1ccc1c2OCO1	963391438	TUSZFKPKZLCFND-NRFANRHFSA-N	368.864	4.260	50	1	FIGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCO3	586973029	FBBJFJAHJYKXLU-SNVBAGLBSA-N	359.223	4.338	50	1	FIGF	
CC1(C)C=C[C@H](O)[C@](C)([C@@H]2CC[C@](C)(Cl)[C@@H](Br)C2)O1	2356748087	SMPLCEQWPNQHKL-SQLGEJSKSA-N	351.712	4.032	50	1	FIGF	
COC(C)(C)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	587500608	SYEUKRUGKRVMIF-SFHVURJKSA-N	367.283	4.089	50	1	FIGF	
CC1=C(CC[C@](C)(O)[C@H](O)CCl)[C@]2(C)CCC(=O)C(C)(C)[C@@H]2CC1	13386327	LAYMOUPGGHBQQW-RKOGWWSCSA-N	356.934	4.239	50	1	FIGF	biogenic
O=C(Cl)c1cnn(-c2ccc(Br)cc2)c1C(F)(F)F	957619753	UZJNSCLIWHMGLC-UHFFFAOYSA-N	353.525	4.033	50	1	FIGF	
c1ccc(CN2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1	43552547	QXDMXAVZADYNNB-UHFFFAOYSA-N	355.478	4.110	50	1	FIGF	
C=C(c1ccccc1)[C@@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1	49878255	FXVANKIJRIZHTF-ZQRQZVKFSA-N	358.434	4.197	50	1	FIGF	
O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCCCCl)[nH]c21	103264509	IJHHXSMKTFVLRW-UHFFFAOYSA-N	370.861	4.449	50	1	FIGF	
CC[C@@H](Br)[C@]1(c2ccccn2)NCCc2cc(Cl)ccc21	963377745	DHRBTXQYBGVUDM-NVXWUHKLSA-N	365.702	4.298	50	1	FIGF	
CCc1[nH]c2c(c1CC)/C(=N/NC(=O)Nc1ccc(OC)cc1)CCC2	40575719	CGPBGDNJCHQTSX-PTGBLXJZSA-N	354.454	4.010	50	1	FIGF	
CCOc1ccc(NC(=O)/C(C#N)=C(\Nc2ccccc2)SC)cc1	1857651448	KUFIVMRUHCVXBO-HTXNQAPBSA-N	353.447	4.234	50	1	FIGF	
CC(=O)OC[C@H]1/C(C=O)=C\C/C=C(/C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C	15119123	SYFAUKOFHTVEDD-DUMXPIDCSA-N	362.510	4.391	50	1	FIGF	
O=C(Cc1ccc(Cl)cc1Cl)NNc1c(Cl)cncc1Cl	84654747	OWQGIVHYSKRAMI-UHFFFAOYSA-N	365.047	4.381	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1CBr)O2	587380523	AHYITANHGOBBKD-MRXNPFEDSA-N	364.214	4.318	50	1	FIGF	
C=C(C)C[C@@H](OO)c1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O	238731300	DYPZZHZYUZHEFW-ZAOIQFLMSA-N	370.401	4.499	50	1	FIGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)[nH]c12	299835867	ZDNCXOKZLLGOCM-YDZHTSKRSA-N	370.412	4.008	50	1	FIGF	
Nc1ncnc2c1c(-c1ccc(F)cc1)nn2C[C@H](Cl)c1ccccc1	473134956	DMATXWLHUWDWHH-HNNXBMFYSA-N	367.815	4.195	50	1	FIGF	
Fc1ccc2nc(CCCCBr)[nH]c2c1Br	586972689	ZHNMUFAEEBQACP-UHFFFAOYSA-N	350.029	4.182	50	1	FIGF	
CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CCl	587422063	PBOGJFFZTDKVHE-IERDGZPVSA-N	372.848	4.496	50	1	FIGF	
CC(C)(C[C@@H](Br)CC(Cl)(Cl)Cl)C1OCCO1	32219549	LGEDTAQVQMEESC-SSDOTTSWSA-N	354.499	4.299	50	1	FIGF	biogenic,in-vitro
Cc1cccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1	587373591	MGNMSDICFSJRCC-SFHVURJKSA-N	360.251	4.141	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1cc(F)ccc1NC(=O)CCl	587916033	AWYJRBARQFSQMU-UHFFFAOYSA-N	352.192	4.065	50	1	FIGF	
C=C1CC[C@H]([C@]2(C)CC[C@H](Cl)C(C)(C)O2)[C@@H]2[C@@H]1CC[C@@](C)(O)[C@H]2NC	2356831342	JOHOKXKBKWJAJH-NRTRYIRGSA-N	369.977	4.273	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3	194900540	PUANDXJMFDLSLQ-SZBWWIKHSA-N	352.471	4.345	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)[C@H](C)Cl)O2	587374597	YYRDNKXEBIVCLP-FKIZINRSSA-N	372.852	4.024	50	1	FIGF	
O=C1C[C@@](CBr)(c2cccnc2)Oc2c1ccc1c2CCCC1	587501777	XUBMOZVNSKCDHU-LJQANCHMSA-N	372.262	4.216	50	1	FIGF	
NCCSSCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1	618007615	HYSDFVPCEFJYFV-UHFFFAOYSA-N	370.927	4.060	50	1	FIGF	
CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C(=O)O	2356695999	FGFQWRWPERZHEJ-NPSOMJIGSA-N	360.567	4.418	50	1	FIGF	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(O)cc2)[C@H]1c1ccc(O)cc1	103191803	ZYKPYLDPDFCIPQ-CZIOWHBQSA-N	372.424	4.427	50	1	FIGF	
O=C(N/N=C/c1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1	299862218	JJTFWGRBHXYEGT-LPYMAVHISA-N	358.426	4.122	50	1	FIGF	
CCCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	587419703	YAVSEFMYTPJVIH-DYESRHJHSA-N	373.880	4.405	50	1	FIGF	
O=C1[C@H](Cl)[C@@H](c2cccs2)N1Nc1ccnc2cc(Cl)ccc12	1772655317	SPCJXCMYZOYJQX-HUUCEWRRSA-N	364.257	4.468	50	1	FIGF	
C=CCC[C@@]1(CBr)c2cc(OC)c(OC)cc2C[C@H](C)N1C	962636576	SNDAULGEVBLZQF-SCLBCKFNSA-N	368.315	4.137	50	1	FIGF	
C[C@@H](Br)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12	13740899	ZSHAPJMTMDKZGI-CYBMUJFWSA-N	371.278	4.277	50	1	FIGF	
Cc1c(/C=N\NC(=O)c2cccnc2)c2ccccc2n1Cc1ccccc1	15990466	LPTBQRTUBRUBSD-MYYYXRDXSA-N	368.440	4.157	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc([C@H](C)NC(=O)CCl)cc1	587906141	RZEKHMCDPXWOLQ-ZDUSSCGKSA-N	362.256	4.164	50	1	FIGF	
CC[C@@H](OO)[C@@H]1C[C@H](/C=C/C=C/CCCCCCCC(=O)OC)OO1	102182868	ZXMQUTOSCPQVII-VPKFVFALSA-N	356.459	4.360	50	1	FIGF	
COc1ccc(Cl)cc1C#Cc1ccc(N=C=O)c(Br)c1	587900249	LOQJAXSZFJFOPB-UHFFFAOYSA-N	362.610	4.478	50	1	FIGF	
CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc1o[nH]c(=O)c3cccc2c13	95604120	XMFQCRZSCAOYHM-SNVBAGLBSA-N	374.824	4.352	50	1	FIGF	
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccccc1Cl)[C@@H](C2)C3=O	587450823	VBPFKAYUJMEYDE-IFXJQAMLSA-N	371.845	4.206	50	1	FIGF	
CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169321725	PUANDXJMFDLSLQ-IZOULEEASA-N	352.471	4.345	50	1	FIGF	
COc1cc2c3c(c1)O[C@]1([C@@H](Cl)CCCCC[C@H]1Cl)[C@@H](C2)C3=O	587423356	XOJJJPUMLIBDEN-FRQROOTJSA-N	355.261	4.360	50	1	FIGF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cccc(CCl)c2)N1	962965795	LTKSEFPIZWNONW-BBRMVZONSA-N	372.198	4.045	50	1	FIGF	
CC(=O)O[C@@H]1CC(=O)[C@H]([C@@H]2C(C=O)=CC[C@@H]2C(C)=CCC=C(C)C)[C@H]1C	2356514774	MKCNQEVJTWJBPS-IMIZZRSTSA-N	358.478	4.207	50	1	FIGF	
N#CC(C#N)=C1C[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc21	963112389	SKGALYZKSZOURM-MBSDFSHPSA-N	355.416	4.294	50	1	FIGF	
COc1cc(SC#N)ccc1/N=C/c1c(C)nn(-c2ccccc2)c1O	5488164	DRIWRQIQBZRODT-SRZZPIQSSA-N	364.430	4.219	50	1	FIGF	
CC(C)CCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3	169372173	NLJZTQSPHRUALZ-BGMRAPHESA-N	352.471	4.201	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccccc1Cl)O2	587409257	KZBITIPMJODCJE-SFHVURJKSA-N	358.850	4.306	50	1	FIGF	
N#CC1=C(N)Oc2c(c(O)nc3c2ccc2ccccc23)[C@@H]1c1ccccc1	1857539191	MUMIUYVLWUXCQD-GOSISDBHSA-N	365.392	4.312	50	1	FIGF	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccccc1F	64373129	BTJXAHYSRLTJBK-IBGZPJMESA-N	356.360	4.050	50	1	FIGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1nc3ccccc3[nH]1)CC2=O	587458292	AAIRKOQNVXVEQW-HXUWFJFHSA-N	370.836	4.321	50	1	FIGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCBr)N1	587674687	ZHBFZPGWLICNAY-AMIZOPFISA-N	365.084	4.339	50	1	FIGF	
Cc1ccccc1/C(O)=C(C#N)/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O	101915282	LMKJAGDQBXXKIY-MABAMEASSA-N	373.416	4.327	50	1	FIGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N=C=O)cc1)O2	587387094	NBFGVVQLJPKCSX-HSZRJFAPSA-N	370.408	4.454	50	1	FIGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O	587417368	LZGBIAINZRXZAC-AVRDEDQJSA-N	368.860	4.456	50	1	FIGF	
Cc1cccc2c3c([nH]c12)C(=C(/C#N)C(N)=O)/C(=C/c1cccs1)CC3	1857586570	OIVUKQHTRZHEJF-OJQQEEFCSA-N	359.454	4.330	50	1	FIGF