smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1OC	587087485	QXGPVMCWXILYTP-NSHDSACASA-N	359.195	3.542	50	1	FHGF	
Cc1cc2c(cc1O)[C@](CCl)(c1ccc(C(C)C)cc1)N[C@H](C(=O)O)C2	963492827	STKPIODPRXWSPC-RXVVDRJESA-N	373.880	3.905	50	1	FHGF	
CC=C(C=O)[C@H]1C[C@H](OC)n2c3c(c4cc(O)ccc42)CCN(C)[C@@H]3C1	2356602742	KQIJOWWBWNZTPC-XMCHAPAWSA-N	354.450	3.576	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]13	2356367004	UKKLQQNAXRBSIP-YIJYYYHPSA-N	374.477	3.761	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC=CCC)C[C@@H]1OC(C)=O	2356431065	BUFQJMZKMZGEFE-QZWWFDLISA-N	355.272	3.775	50	1	FHGF	
C=C[C@@]1(C)[C@@H](NC)[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@H]1Cl	2356834512	KBVDCYGEVOQIMT-FZNLLOFWSA-N	374.912	3.753	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2cncc(Br)c2[nH]1	587086916	IZNABUQWTMXOMF-MRVPVSSYSA-N	351.017	3.905	50	1	FHGF	
COc1cc([C@H]2NCCc3nc4ccccn4c32)ccc1OCCCCl	962986695	JWEPUYGDOSDKPO-LJQANCHMSA-N	371.868	3.586	50	1	FHGF	
Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/Nc1ccccc1O)C=C3C=O	102898184	MMADADHIXFSVGV-JLHYYAGUSA-N	373.364	3.582	50	1	FHGF	
CCCC[C@@]1(Br)O[C@@H]1C(Br)Br	2356795010	LQMKQTOBUUMAQJ-IYSWYEEDSA-N	350.876	3.783	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1[nH]c(C)c(C(C)=O)c1C)[C@@H](C2)C3=O	587420090	GIXQIGLMDBQWDG-VBKZILBWSA-N	373.836	3.724	50	1	FHGF	
Fc1cnc(Br)c2[nH]c(CCCCBr)nc12	586972448	RMWSPLOQJGZLDR-UHFFFAOYSA-N	351.017	3.577	50	1	FHGF	
O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)nn1Cc1ccccc1	40864272	UJILOTMGRVGOCT-HZHRSRAPSA-N	370.412	3.955	50	1	FHGF	
Cc1ccc2c(/C=C(\C#N)C(=O)N(C)c3ccccc3)cn(CC(=O)O)c2c1	96271112	BUNALCLCHDBJED-LFIBNONCSA-N	373.412	3.604	50	1	FHGF	
Cc1ccc([C@@H]2[C@@H]3CN(C(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc1	169686631	IABBLXTYLMVNQF-WOJBJXKFSA-N	357.461	3.696	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccn2C)N1	587682418	CCKHXNSHSZDLGZ-QFYYESIMSA-N	371.681	3.943	50	1	FHGF	
CC=C1C[N@@+]2(CCl)[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2ccccc12	2356359854	UIEKHYIYGGOXQK-AZZGCPEHSA-N	357.905	3.746	50	1	FHGF	
Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(F)ccc21	101635489	WCWOPFQCJRRYMU-PYCFMQQDSA-N	359.470	3.527	50	1	FHGF	
CC(C)c1ccc(/C=C(C#N)/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	103229560	PUUWBGPLKHKPMM-ROWFSKNESA-N	372.471	3.546	50	1	FHGF	
COc1cc(C(=O)NCCN2CCC[C@H](Cl)C2)c2cccc(C)c2c1	28343269	YZTOPBYLRHKKNB-HNNXBMFYSA-N	360.885	3.590	50	1	FHGF	
COc1ccc(OC)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1	587374819	ZMKASVCKOABOFU-LJQANCHMSA-N	361.825	3.694	50	1	FHGF	
CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)CBr	587643837	JLUGVEBESFVWAD-UHFFFAOYSA-N	354.204	3.707	50	1	FHGF	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1C(=O)c1ccccc1	103169563	COYBTIIEFFUGON-HYARGMPZSA-N	373.368	3.590	50	1	FHGF	
CCCC[C@@H](Br)C(=O)C(Br)Br	86000732	LXTJHNBZXQMSBE-RXMQYKEDSA-N	350.876	3.625	50	1	FHGF	biogenic
Cc1ccc([C@]2(/C(C#N)=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1	587387203	ODHIDONTFCMIQI-OEHGHSTBSA-N	361.445	3.715	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](Br)C1=O)CC2=O	587457663	ACSMWBJTBTUCPP-PXAZEXFGSA-N	367.239	3.565	50	1	FHGF	
COc1ccc([C@@]2(CSC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1	587407687	CDUYMWGEOLRJGQ-IBGZPJMESA-N	354.431	3.661	50	1	FHGF	
COc1ccc2c(Cl)c(C(=O)N/N=C3/CCCC(=O)C3)sc2c1	100559809	DEJRATUMDPFTIQ-NVMNQCDNSA-N	350.827	3.792	50	1	FHGF	
O=C(O)c1coc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1	587496130	BQUDMCYPGNBDBL-IBGZPJMESA-N	360.793	3.956	50	1	FHGF	
O=C(Cl)CCCCC(=O)c1c(CO)oc2cc(Br)cnc12	587273206	JCBGIIHOGKJUHJ-UHFFFAOYSA-N	374.618	3.591	50	1	FHGF	
CCO/C=C(\C#N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587732372	LKOUSFHHFRYBOM-PCJPBFTKSA-N	353.235	3.782	50	1	FHGF	
Nc1ccc(C(=O)N/N=C/c2c(-c3ccc(O)cc3)[nH]c3ccccc23)cc1	82152721	OFSGPUDSSJQGMR-ZMOGYAJESA-N	370.412	3.887	50	1	FHGF	
CCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3	45291778	IKVOPWVOZWRAOT-UHFFFAOYSA-N	360.504	3.794	50	1	FHGF	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@H]1C[C@H](Br)[C@@H](Br)[C@@H]21	254200568	RTOAGUKGFNBCKI-CKJVUJKFSA-N	357.473	3.542	50	1	FHGF	
CC(=O)[C@@]1(Cc2ccc(Br)cc2)CC[C@]2(C)OO[C@@]1(C)O2	473086944	IYDAURVJRQPDKP-XHSDSOJGSA-N	355.228	3.772	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@]1(C=C(CCl)OC=C1OC)CC2=O	587460698	OTEDXFNGXRAQGI-SFHVURJKSA-N	350.798	3.689	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)CCl)c1)[C@@H](C2)C3=O	587423682	VHKBVIQOXPUFMQ-YWZLYKJASA-N	371.820	3.535	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)cc(O)n3C)O2	587373122	PUDZLOUOSPSTJY-HXUWFJFHSA-N	370.836	3.874	50	1	FHGF	
CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)CBr	587643089	BAYACCNCVUSGJD-UHFFFAOYSA-N	354.204	3.707	50	1	FHGF	
OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1	170095908	WJLXVAIRFZLEMT-UHFFFAOYSA-N	352.051	3.500	50	1	FHGF	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2c(cn1)[nH]c1ccccc12	1857635199	XJNIVDFMTIBBNF-BHGWPJFGSA-N	353.385	3.961	50	1	FHGF	
CO[C@@]1(c2ncc(F)cc2-c2cnc(C)s2)C=C(C#N)C(=O)C(C)(C)C1	1857604705	ZDVFNTWQKWVJEJ-IBGZPJMESA-N	371.437	3.943	50	1	FHGF	
Cn1cccc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587542204	FXWFTTGTULMLBX-YLJYHZDGSA-N	369.804	3.827	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cocn2)N1	587684774	MIFKZGUODRUFLE-RTHLEPHNSA-N	359.626	3.593	50	1	FHGF	
CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1S2(=O)=O	988600	ISAQDGNACQZTAT-QGZVFWFLSA-N	368.845	3.980	50	1	FHGF	
CN(C)CCSSCCNC(=O)Nc1cccc(Cl)c1F	618007932	NOOYQDYINPQLJA-UHFFFAOYSA-N	351.900	3.544	50	1	FHGF	
O=C1C[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)Oc2c1ccc1c2CCCC1	587497259	IBHBPYRXLJYSRW-SFHVURJKSA-N	360.797	3.901	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2ccc(CN3CCOCC3)cc2[nH]1	587087333	OMCIUQHAMLVWNM-AWEZNQCLSA-N	370.266	3.579	50	1	FHGF	
CO[C@H]1[C@@H]2[C@@H](CC[C@@]3(C)C[C@@]2(OC)CC[C@H]3O)C(C=O)=C[C@H]1C=C(C)C	2356548804	FZXYEBOZWVGXJG-QDTJCIPSSA-N	362.510	3.685	50	1	FHGF	
COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC(=O)C(C)(C)CCCC(C)=O)OO1	42876166	OQQQVWCMVDRPGR-QINHECLXSA-N	370.486	3.800	50	1	FHGF	biogenic
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCc5ccccc5)CC[C@@H]1[C@]23OO4	169341101	NEGWVKPKTURHQB-KVNNJNDPSA-N	358.434	3.762	50	1	FHGF	
C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1	587114392	SUPSGEPZTDYCQP-JTQLQIEISA-N	362.355	3.531	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(O)cc1)O2	587375584	UNUQTEFIYCSKRT-QGZVFWFLSA-N	362.223	3.538	50	1	FHGF	
CO[C@]1(c2ncc(F)cc2-c2cnc(C)s2)C=C(C#N)C(=O)C(C)(C)C1	1857604706	ZDVFNTWQKWVJEJ-LJQANCHMSA-N	371.437	3.943	50	1	FHGF	
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC=C[C@@H]1COCc1ccccc1	1857771435	MUTMBWRUYZTJFH-GOSISDBHSA-N	368.389	3.941	50	1	FHGF	
CCOCCOC(=O)/C(C#N)=C(/CC)NNc1c(Cl)cccc1Cl	40828519	LSXDMIWHAVPBLP-KAMYIIQDSA-N	372.252	3.677	50	1	FHGF	
O=C1C(O)=C([C@H](NCCCCl)c2cccc(O)c2)C(=O)c2ccccc21	653901845	USSVAGRRDLXVME-QGZVFWFLSA-N	371.820	3.543	50	1	FHGF	
Cc1c(Br)ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c12	586909626	ZBCOTHQLPKCOOK-UHFFFAOYSA-N	357.163	3.611	50	1	FHGF	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(O)cc1	4146851	IJBPEPLEORFLDU-OAHLLOKOSA-N	364.792	3.654	50	1	FHGF	
CN(C)CCSSCCCn1cc(-c2ccc(F)c(F)c2)nn1	618010529	YKWFHSSQGHNKSP-UHFFFAOYSA-N	358.483	3.556	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3[nH]c(O)cc3c1)O2	587371938	IHVZVSCSYYVNDJ-LJQANCHMSA-N	356.809	3.864	50	1	FHGF	
N#C/C(=C\c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	587188293	PKCGFQCUIWHZGS-LFIBNONCSA-N	368.400	3.686	50	1	FHGF	
COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(C=O)CC[C@H]12	26577140	RMYRPJRILWRVFE-WMQCIHAUSA-N	360.450	3.525	50	1	FHGF	
CC(=O)c1c(C)[nH]c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587373815	SZDPKQHBKNMJEP-IBGZPJMESA-N	360.841	3.824	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(C#N)c1)O2	587374109	OEYCKBHDRCCZEZ-GOSISDBHSA-N	371.234	3.705	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1cccs1)[C@@H](C2)C3=O	587453797	ZPTGNMRQLQQPGW-MEDUHNTESA-N	365.248	3.795	50	1	FHGF	
CCO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](Cl)[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12	13651534	VQLNYAXIYCOFEK-FLIUJYPFSA-N	350.886	3.842	50	1	FHGF	
C=C(C[C@H](O)C=C(C)C)[C@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1	2356731852	GUWOIVVOEBUYQH-QPSCCSFWSA-N	351.712	3.936	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586970306	CUBUZNUNSMWJKV-SNVBAGLBSA-N	362.611	3.986	50	1	FHGF	
CCOc1ccc(N/C(SCc2ccccc2C)=C(/C#N)C(N)=O)cc1	3059027	SBCYJPZGAGEDLC-CZIZESTLSA-N	367.474	3.960	50	1	FHGF	
C[C@H](O[P@@](N)(=O)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1	64527045	QIJPHCXXSPFIMF-MLMJSJRWSA-N	370.173	3.519	50	1	FHGF	
COC(C)(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587545632	RVCJIUQDYIFMSZ-HNAYVOBHSA-N	362.809	3.756	50	1	FHGF	
O=C(CN1CCc2sccc2C1)N/N=C/c1c(Cl)cccc1Cl	103238999	KTJUFPUXOYJWCI-UFWORHAWSA-N	368.289	3.563	50	1	FHGF	
Cn1cccc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587542202	FXWFTTGTULMLBX-XLIONFOSSA-N	369.804	3.827	50	1	FHGF	
CC(C)CCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br	587009646	OGNCHFQKPPEFDR-SNVBAGLBSA-N	360.683	3.989	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4	169372250	GTWREXBWRJAYAW-SRNSDJLKSA-N	366.376	3.773	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cscn1	587616313	BPIQWNMZQJHSMW-MAUKXSAKSA-N	373.817	3.945	50	1	FHGF	
CC(C)c1nn(C)c2c1[C@](CCl)(c1ccc(F)c(Cl)c1)NCC2	962923360	YUXDFGAQSMCEBW-KRWDZBQOSA-N	356.272	3.964	50	1	FHGF	
N#C/C(=C(/N)S[C@H]1C=CC=CC1)c1cccc([C@@H](O)c2ccncc2)c1	95564499	YYDPEIRKANIXMV-CEKHLOFYSA-N	361.470	3.932	50	1	FHGF	
COC(C)(C)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	587689705	VBWDRPWLLCQZFQ-VFZGTOFNSA-N	364.686	3.982	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@H]4OO[C@@]3(C=C4C(C)(C)O)CC[C@H]21	105501035	IOWHRFKVRZOMCP-BANPUBCTSA-N	364.482	3.552	50	1	FHGF	biogenic
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CCCl)c2)N1	587683382	GQNAAIXBKIHJFY-RFAUZJTJSA-N	372.669	3.647	50	1	FHGF	
CCC=CC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2	2356444241	PVTQTOGPOPGQGE-LTFXXXRZSA-N	350.455	3.796	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccccc1F)[C@@H](C2)C3=O	587426094	KQSDCJDJEDVEOJ-LIRRHRJNSA-N	355.390	3.691	50	1	FHGF	
C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@@H](Cl)C2	238789041	IWLYVKVOGXYQCU-OGMFBOKVSA-N	351.712	3.626	50	1	FHGF	
CCOC(=O)[C@@]1(CCCCCCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587419551	FCOPVIHPIQZTDW-KUHUBIRLSA-N	366.841	3.544	50	1	FHGF	
CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCCCBr)C(=O)O	26027253	NJXHMALULPICRY-FNWMBBJUSA-N	360.292	3.853	50	1	FHGF	
CCOC(=O)Cc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12	587621459	VGSFLGKZYCROPG-UHFFFAOYSA-N	370.634	3.651	50	1	FHGF	
NNC(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1	587075236	AAMRWODNWDMPRP-UHFFFAOYSA-N	363.808	3.549	50	1	FHGF	
Clc1c(Br)cnc2[nH]c(/C=C/CBr)nc12	586972516	VRWNAPFIAIRWHQ-OWOJBTEDSA-N	351.429	3.782	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@H]([C@@H](Br)CC)O1	2356773017	OELZRAJPVXSYFO-YVSFHVDLSA-N	355.272	3.775	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	587009517	JGYDGVZTMCQREO-UHFFFAOYSA-N	354.159	3.825	50	1	FHGF	
Cc1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12	587009443	FYEUKTUIAONTAR-KRWDZBQOSA-N	366.852	3.991	50	1	FHGF	
Cc1cnc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2S)s1	103197812	XLWXXYWCRAPHJR-QWHCGFSZSA-N	361.879	3.984	50	1	FHGF	
O=C1C[C@@](CBr)(c2cncnc2)Oc2c1ccc1c2CCCC1	587497326	CAUOCUDNMAMCMI-GOSISDBHSA-N	373.250	3.611	50	1	FHGF	
C[C@H](Br)c1nc2ccc(I)cc2[nH]1	587007665	CHEJSEGQEPTHIN-YFKPBYRVSA-N	350.985	3.623	50	1	FHGF	
COc1ccc2cc([C@H]3C(C#N)=C(N)OC(C)=C3C(C)=O)c(Cl)nc2c1	883068	JYGMRGUMQXGELI-KRWDZBQOSA-N	369.808	3.567	50	3	FHGF	
CC(=O)OC[C@]1(C)C[C@](Br)(CCl)[C@H](Cl)C[C@@H]1Cl	2356795608	MHQSTQDPTAQKDO-VLEAKVRGSA-N	366.510	3.937	50	1	FHGF	
Cn1c2c(c(=O)c3ccccc31)[C@@H]1[C@H](CC[C@@](C)(O)[C@@H]1Cl)C(C)(C)O2	1857584178	JVZQPGNKHJDEHX-FOTGTACZSA-N	361.869	3.562	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]13	2356396363	IZEWXSNCLIVJKF-QCBOSUKYSA-N	360.494	3.668	50	1	FHGF	
CCC[C@H](C=O)CCCCC[C@]1(OC)C[C@H](C)[C@@H](CC(=O)OC)OO1	2356540221	QQYFKIURAPUULW-IMBTUZDBSA-N	358.475	3.815	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1csc(CNC(=O)CCl)c1	587918739	HBYRNPBTVOEGKO-UHFFFAOYSA-N	354.258	3.665	50	1	FHGF	
Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@H]1CC[C@@](C)(O)[C@H](Cl)[C@H]21	1857543922	KVKPUNTZFLWTSM-FOTGTACZSA-N	361.869	3.562	50	1	FHGF	
COc1cc(O)c2c(c1)C=CCCC[C@@H](O)C[C@H](Cl)C[C@H](C)OC2=O	254014931	BECOBHILFUXGOG-NWANDNLSSA-N	368.857	3.892	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H](C#N)c1nc(C)cs1)O2	587415401	ZWQDUOLMSBTLJH-YVEFUNNKSA-N	361.854	3.592	50	1	FHGF	
CC(=O)c1c(C)[nH]c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C	587373816	SZDPKQHBKNMJEP-LJQANCHMSA-N	360.841	3.824	50	1	FHGF	
N#CSc1ccc(N(CCBr)CCBr)cc1	169315118	LBKLJRKLKGVCCL-UHFFFAOYSA-N	364.106	3.856	50	1	FHGF	
Cc1ccc(SCCO[P@](N)(=O)N(CCCl)CCCl)cc1	27212410	GQJXCIOJYWDAQJ-FQEVSTJZSA-N	371.270	3.950	50	1	FHGF	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNCc1ccc(F)cc1	299855542	FUEUUEQYSFCRBS-JTQLQIEISA-N	357.212	3.721	50	1	FHGF	
CC(C=O)=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)O	2356324649	SNESRMBZNGFPPA-UHFFFAOYSA-N	372.417	3.943	50	1	FHGF	
O=N[C@H]1[C@H]2C[C@@H]([C@@H]3C[C@H](Br)[C@@H](Br)[C@H]32)[C@H]1Cl	254200572	RTOAGUKGFNBCKI-DUDQFARASA-N	357.473	3.542	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O	587416509	ALFVOVIVLZWKFE-MGPUTAFESA-N	374.820	3.594	50	1	FHGF	
Cc1cc([N+](=O)[O-])ccc1/N=N/C(=O)NNc1ccc([N+](=O)[O-])cc1C	18153646	QULYQBKLIJCBJX-HTXNQAPBSA-N	358.314	3.940	50	1	FHGF	
Cn1c2c(c(=O)c3ccccc31)[C@@H]1[C@H](Cl)[C@](C)(O)CC[C@H]1C(C)(C)O2	2356832669	JVZQPGNKHJDEHX-MZWCALOPSA-N	361.869	3.562	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1)[C@@H](C2)C3=O	587411704	GBJVTDQRVBDUEF-KBXCAEBGSA-N	359.219	3.733	50	1	FHGF	
COc1cc(O)c2c(c1)/C=C\CCC[C@@H](O)C[C@H](Cl)C[C@H](C)OC2=O	169344546	BECOBHILFUXGOG-ZQIWBQQGSA-N	368.857	3.892	50	1	FHGF	
NNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(Cl)ccc1N	3654284	ZMXYHODQERKWSZ-UHFFFAOYSA-N	367.261	3.812	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@H](c2ccc(O)cc2O)NC1=O	84619607	LJOOWPRUDFOPRU-QGZVFWFLSA-N	370.455	3.628	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@]1(C=C(CCl)OC=C1OC)CC2=O	587460697	OTEDXFNGXRAQGI-GOSISDBHSA-N	350.798	3.689	50	1	FHGF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(C(N)=O)oc2C)N1	962952783	VVUWCDCXSXXQRV-MPBGBICISA-N	371.868	3.575	50	1	FHGF	
Cc1ccc(NC2=C(OC(=O)c3ccccc3C)OC(=O)[C@@H]2Cl)cc1	169691805	YGUGUERWZPXDET-OAHLLOKOSA-N	357.793	3.906	50	1	FHGF	
O=C1C[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)Oc2c1ccc1c2CCCC1	587497258	IBHBPYRXLJYSRW-GOSISDBHSA-N	360.797	3.901	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccccn1	587545979	ULUYQPZUYURZCG-FXAWDEMLSA-N	367.788	3.883	50	1	FHGF	
O=S(=O)(/N=[S@@](/Nc1ccccc1)C(Cl)Cl)c1ccccc1	5852403	UGOZXDJQLDZVAJ-FQEVSTJZSA-N	363.291	3.966	50	1	FHGF	
COC(=O)[C@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C	587620958	KUARCFCDLPUDQB-SNVBAGLBSA-N	356.607	3.568	50	1	FHGF	
Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3Cl)cc(=O)oc12	40917390	CUDBXJOAULIOOA-SSDVNMTOSA-N	368.820	3.756	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@H]([C@H](Br)CC)O1	2356773014	OELZRAJPVXSYFO-NCOADZHNSA-N	355.272	3.775	50	1	FHGF	
O=C(CCl)Sc1nnc(COc2ccc(Cl)cc2Cl)o1	82156002	VJOXTQBUBNWCFZ-UHFFFAOYSA-N	353.614	3.813	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCC(=O)N3)O2	587374627	YZWVGRUWCSBRLB-FQEVSTJZSA-N	370.836	3.561	50	1	FHGF	
O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@@H]1Br	40410361	WNYIGUMPMQQOEY-TXMMPKFLSA-N	364.667	3.979	50	1	FHGF	
CC1=C(C#N)C(C2=CC=CN(C(=O)Oc3ccccc3)C2)C(C#N)=C(C)N1	40719034	RRAREENYFRNFSK-UHFFFAOYSA-N	358.401	3.756	50	1	FHGF	
O=C1C(O)=C([C@@H](NCCCCl)c2cccc(O)c2)C(=O)c2ccccc21	653901842	USSVAGRRDLXVME-KRWDZBQOSA-N	371.820	3.543	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@@H](C#N)[C@@H]1c1ccc(F)cc1Cl	169723630	STCGVXGUSGZYKZ-RISCZKNCSA-N	355.196	3.843	50	1	FHGF	
N#Cc1c(NC(=O)CCCCl)c(C(=O)Nc2ccccc2)n2c1CCC2	103278453	ADRQRCQBNVWFPS-UHFFFAOYSA-N	370.840	3.516	50	1	FHGF	
C/C(=N/NC(N)=O)c1ccc(Sc2ccc(Br)cc2)cc1	27315532	VLLRDXLOKWWETO-ZDLGFXPLSA-N	364.268	3.993	50	1	FHGF	
COC[C@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@H]1Cl	14829634	AHGKSZXKDPGMQU-MJGOQNOKSA-N	350.890	3.883	50	1	FHGF	biogenic
COc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587416999	HSIPBGAMSYIHBR-VATIQMLTSA-N	358.821	3.974	50	1	FHGF	
CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1Cl	587550322	UTXNJVMNRPDFEN-VVWQDTPRSA-N	360.793	3.509	50	1	FHGF	
CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)NCCc2cccc(Cl)c21	963390188	GOBMYPHCQFTLGG-KDOFPFPSSA-N	371.308	3.929	50	1	FHGF	
COc1ccc([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1CCl	963030272	QNBWAISECPLCAJ-SZNDQCEHSA-N	370.880	3.751	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@@H]([C@@H](Br)CC)O1	2356773015	OELZRAJPVXSYFO-QAETUUGQSA-N	355.272	3.775	50	1	FHGF	
Cn1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	587543649	LEQCIXBRBLIHHH-FXAWDEMLSA-N	369.804	3.827	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ncccc13)([C@@H](C)Cl)O2	587371606	HAGPPQRAZNIROX-WYRIXSBYSA-N	355.825	3.942	50	1	FHGF	
C=C(C)[C@@H](Cc1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)OO	14262147	AJERVVHSERWGFL-CLOLKSBNSA-N	370.401	3.979	50	3	FHGF	
N#C/C(=C(/O)COC(=O)c1ccccc1O)c1nc2ccccc2s1	101892304	AXPAGYSFHCEPOO-QINSGFPZSA-N	352.371	3.652	50	1	FHGF	
COc1ccc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	72170996	RDVYDZSDPQUUDA-UDWIEESQSA-N	365.345	3.627	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(Br)C2)N1	587682118	MNMLPXAWXKDIDV-LHROUJJASA-N	363.068	3.875	50	1	FHGF	
COc1ccc(C(=C2C(=O)OC(=O)C2=C(C)C)c2ccc(OC)cc2)cc1	73408771	AQYNSYRKHHCPQT-UHFFFAOYSA-N	364.397	3.926	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(F)c1)O2	587384920	PPFGOCUETGMKMH-KRWDZBQOSA-N	364.214	3.972	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CCCl)c1	587541756	DKEWRCYLNNDIQX-APWZRJJASA-N	370.792	3.530	50	1	FHGF	
C[C@H](Nc1cccc(Oc2ccccc2)c1)C(=O)N/N=C/c1ccncc1	201286774	SPQITYFQEDHYPS-PFRBSUFTSA-N	360.417	3.825	50	1	FHGF	
CN(C)c1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc(Cl)cc2)cc1	1857742443	MOXPCRBYYVXJAH-UHFFFAOYSA-O	351.817	3.551	50	1	FHGF	
CC(C)(OO)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@H]1OO3	105442693	HAPYGVXWHYQMIJ-KDDNCGOXSA-N	366.454	3.961	50	1	FHGF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1nnc(-c3ccccc3)o1)O2	587373883	TZCUVKJTSAONQT-IBGZPJMESA-N	369.808	3.727	50	1	FHGF	
O=C1C[C@](CBr)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1	587499469	NHLDINVPGLZWJE-ACJLOTCBSA-N	365.267	3.701	50	1	FHGF	
COC(C)(C)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	587687130	FOFCGYOIGAOAJA-RFAUZJTJSA-N	364.686	3.982	50	1	FHGF	
C[C@@]1(CCCCCl)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962642369	ZGOBYAPILBBRHB-ABAIWWIYSA-N	365.779	3.808	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O	587418161	SBAGVZRMDWXCSX-OXJNMPFZSA-N	371.820	3.535	50	1	FHGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(N)=O)c2[nH]1	586972971	DNJBQZSKUDIVOY-SNVBAGLBSA-N	358.239	3.709	50	1	FHGF	
O=C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C/c1ccccc1	587875221	PLESRDXTUHVPOV-LFIBNONCSA-N	372.251	3.938	50	1	FHGF	
O=C1C[C@](CBr)(c2cnccn2)Oc2c1ccc1c2CCCC1	587499286	LVPHJMZRWUCIQI-SFHVURJKSA-N	373.250	3.611	50	1	FHGF	
Cc1cc(N(CCCl)CCCl)ccc1B1OC(C)(C)C(C)(C)O1	224751012	QDKWDOKSNTUPLW-UHFFFAOYSA-N	358.118	3.578	50	1	FHGF	
O=C(Oc1cccc([N+](=O)[O-])c1)c1cc2cc(CCl)ccc2oc1=O	13676427	YQUCDYZHLAMMLE-UHFFFAOYSA-N	359.721	3.659	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CBr)(Cc1ccccc1)[C@@H](C2)C3=O	587415333	RFFRWYLDYSTGKM-HNAYVOBHSA-N	373.246	3.819	50	1	FHGF	
Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1	587684023	JLYYAGGREOHIIZ-VXJOIVPMSA-N	373.653	3.901	50	1	FHGF	
Cc1ccc(C(=O)N/N=c2/c(=O)c3c4ccccc4cc4cccc2c43)cc1	1862414	GAALKPIJVPPVTE-YYDJUVGSSA-N	364.404	3.936	50	1	FHGF	
CCCCn1c(SC/C(O)=C(/C#N)C(C)=N)nc2ccccc2c1=O	101744622	BRJACYJNKWQTLV-JCZQYWQXSA-N	356.451	3.664	50	1	FHGF	
C[C@@]12CCCC(/C=N/NC(=O)c3ccccc3)=C1C(=O)O[C@H]2c1ccoc1	103288526	ZGWKNRFCIYBGQC-FAKCTINISA-N	364.401	3.780	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(C(C)(C)O)[C@@H](C[C@@H]12)OO3	606576028	IOWHRFKVRZOMCP-PLVDSEAXSA-N	364.482	3.552	50	1	FHGF	biogenic
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H]3CCCC3=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103105616	AIDRZNZKIZQQHM-FHRWZZFWSA-N	350.455	3.606	50	1	FHGF	
CC(=O)O[C@H]1C[C@]2(C)C(C=O)=CCC[C@H]2[C@](C)(CCC2=CCOC2=O)[C@H]1C	36399530	APYTZDKULJFTIN-IRAZOYJJSA-N	374.477	3.769	50	1	FHGF	
CC(=O)O[C@@H]1CC(C=O)=CC=C2C3=C(C(C)C)CC[C@]3(C(=O)O)CC[C@]21C	14497175	HOSRLRWNDVYKNJ-QIJUGHKUSA-N	372.461	3.991	50	1	FHGF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3nc(O)oc3c1)O2	587373942	UROBDEQROZSUSV-SFHVURJKSA-N	358.781	3.524	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)/C(C#N)=C\N(C)C	587901468	DTLWOUAHTKBEPY-VKAVYKQESA-N	364.832	3.900	50	1	FHGF	
CCC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F	68573270	MDZYTAFAEJWBDV-UHFFFAOYSA-N	360.210	3.957	50	1	FHGF	biogenic
O=C1C(O)=C([C@@H](NCCCCl)c2ccccc2)C(=O)c2ccccc21	653859592	OWULJFMLENXKIG-KRWDZBQOSA-N	355.821	3.838	50	1	FHGF	
CCOC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587326073	JOZKIWWOPLGHNG-HKUYNNGSSA-N	364.800	3.904	50	1	FHGF	
Cc1c(O)[nH]c2ccc([C@]3(CCl)NCCc4c(C(=O)O)cccc43)cc12	963128484	APJYXESCWHUZBU-FQEVSTJZSA-N	370.836	3.508	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1CCBr)[C@@H](C2)C3=O	587412018	GRKUMJPJFRVKLT-BTJLNZGRSA-N	351.240	3.767	50	1	FHGF	
CCC[C@H](C=O)CCCCC[C@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1	2356540222	QQYFKIURAPUULW-SFNKJDCFSA-N	358.475	3.815	50	1	FHGF	
O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cccc([N+](=O)[O-])c12	587644039	LMIPVJHHNALBFE-UHFFFAOYSA-N	369.764	3.611	50	1	FHGF	
COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)c(F)c1	40584759	XBPZOCIIZWDMFO-VGOFMYFVSA-N	371.364	3.650	50	1	FHGF	
C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCCC2)OO1	43104360	WKQDQQJZSXKYFX-HNNXBMFYSA-N	360.859	3.511	50	1	FHGF	
CCOC(=O)[C@@H](Cl)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	587496623	JEYIYYJCTXDBAG-IEBWSBKVSA-N	350.842	3.850	50	1	FHGF	
CC[C@@H](C)n1c(SC/C(O)=C(/C#N)C(C)=N)nc2ccccc2c1=O	101638929	VTMBQOVSGYYOQX-QKQVJQDSSA-N	356.451	3.835	50	1	FHGF	
O=C(CCl)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	28000257	OMKKISJQVKWVMK-UHFFFAOYSA-N	356.897	3.966	50	1	FHGF	
Cc1cccc2c1c(/C=C(\C#N)C(=O)N(C)c1ccccc1)cn2CC(=O)O	96271114	WSWWKZWYMUALKG-LFIBNONCSA-N	373.412	3.604	50	1	FHGF	
CO[C@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCCC2)OO1	38158549	SODDKVRRHAFVRO-GOSISDBHSA-N	352.452	3.500	50	1	FHGF	
C/C(=N\NC(N)=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1	84713548	VYIAFMZQXXJZAH-PGGKNCGUSA-N	361.327	3.641	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ncccc14)([C@H](C)Cl)[C@@H](C2)C3=O	587418981	VJMLBHAEMUGHTO-YOKVUHJFSA-N	368.820	3.842	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@@H]3CCCC3=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103105615	AIDRZNZKIZQQHM-SZXLUNCZSA-N	350.455	3.606	50	1	FHGF	
COc1cc(O)c2c(c1)/C=C/CCC[C@H](O)C[C@H](Cl)C[C@H](C)OC2=O	66075881	BECOBHILFUXGOG-ZYHODOSLSA-N	368.857	3.892	50	1	FHGF	
N#C/C(=C/c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	587188297	PKCGFQCUIWHZGS-WJDWOHSUSA-N	368.400	3.686	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)CCl)c1C)O2	587370750	BMWSJYJGBCNRSW-LJQANCHMSA-N	360.841	3.824	50	1	FHGF	
CC1=CN2C(=N[C@@](c3c[nH]c4ccccc34)(C(F)(F)F)C(C#N)=C2N)C=C1	621477782	LPCRDHDRHAJNBR-SFHVURJKSA-N	369.350	3.807	50	1	FHGF	
O=C(O)c1coc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1	587496131	BQUDMCYPGNBDBL-LJQANCHMSA-N	360.793	3.956	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1cccc(/C=C/C=O)c1F)[C@@H](C2)C3=O	587426090	KOITWWWAFRCRPZ-MADWKMQDSA-N	352.361	3.709	50	1	FHGF	
Br[C@@H](Cn1ncc2c(NC3CC3)ncnc21)c1ccccc1	28569767	CQJPPEHYIGTSOW-AWEZNQCLSA-N	358.243	3.537	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43397029	UPDJPXJSQCFMLW-CQAWWZBVSA-N	357.450	3.635	50	1	FHGF	
CCOC(=O)[C@H](Cl)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	587496627	JEYIYYJCTXDBAG-PKOBYXMFSA-N	350.842	3.850	50	1	FHGF	
COc1ccc([C@@]2(CCl)NCCc3cc(Cl)ccc32)c(OC)c1	963379405	IAGFVJQFFZRSTL-SFHVURJKSA-N	352.261	3.985	50	1	FHGF	
Cn1c2c(c(=O)c3ccccc31)[C@@H]1[C@H](Cl)[C@@](C)(O)CC[C@H]1C(C)(C)O2	2356832670	JVZQPGNKHJDEHX-OVCSSCHWSA-N	361.869	3.562	50	1	FHGF	
NC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	199768513	XADUXUAXETYMRT-UHFFFAOYSA-O	362.433	3.636	50	1	FHGF	
CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C=O	238746532	VUWCBJZHKZQBPX-HUBJLZRISA-N	360.494	3.668	50	1	FHGF	
O=C(Oc1ccccc1)N(Nc1ccccc1)S(=O)(=O)c1ccccc1	653808469	YVUCBVLBCSCUEE-UHFFFAOYSA-N	368.414	3.903	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccccn1	587545982	ULUYQPZUYURZCG-YLJYHZDGSA-N	367.788	3.883	50	1	FHGF	
COC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587326982	NSFAZDAGPYZDAW-AEFFLSMTSA-N	350.773	3.514	50	1	FHGF	
COc1ccc(SSc2nc(-c3cccnc3)n(C(C)=O)n2)cc1	1857637196	OKSHMHMVCJHZIV-UHFFFAOYSA-N	358.448	3.808	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	138294910	XDUGJINPXBRUHH-AWLMKMFSSA-N	368.348	3.617	50	1	FHGF	
CN(C)C(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586986731	SCUQPAJVMYNHQU-SFHVURJKSA-N	366.804	3.520	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3cccs3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	169337606	PJBPRSMZQDWWIQ-FJRGAVDASA-N	363.479	3.946	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CCl)n1	587890300	ZNODMKCALONEQV-UHFFFAOYSA-N	367.663	3.838	50	1	FHGF	
CC(=O)Oc1ccc(C[C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587373776	SQUZBUADWCDHPJ-FQEVSTJZSA-N	373.836	3.688	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@@H](c2cc(O)ccc2O)NC1=O	84620159	JBQLPIQAJGPJAG-KRWDZBQOSA-N	370.455	3.628	50	1	FHGF	
O=C1C[C@](CBr)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1	587499481	NHLDINVPGLZWJE-UGSOOPFHSA-N	365.267	3.701	50	1	FHGF	
N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]12CCC(=O)[C@@H]2Cl	963200698	FNIXXKJBJCBUGX-GIVPXCGWSA-N	350.849	3.975	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@H](C#N)[C@@H]1c1ccnc2ccccc12	169723633	FJPLSTBZPKSPRK-YOEHRIQHSA-N	353.809	3.599	50	1	FHGF	
COC(=O)C[C@H](C)CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C	238735205	LCUPVVXMLBHYRG-RWBBEJTFSA-N	350.499	3.914	50	1	FHGF	
CCCC[C@@]1(O)OOC(c2ccccc2)(c2ccccc2)C[C@@H]1C(=O)OC	1857590082	PEHMOOZTWRAVTJ-DENIHFKCSA-N	370.445	3.950	50	1	FHGF	
C[C@]1(CC(=O)NCc2ccc3c(c2)OCC=CO3)CC2(CCCCC2)OO1	49680104	SSCCINNDXPYQQI-FQEVSTJZSA-N	373.449	3.791	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CCCl)c1)[C@@H](C2)C3=O	587419623	FKOJYOURQFEPLS-MGPUTAFESA-N	358.821	3.845	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc([N+](=O)[O-])c[nH]1)CC2=O	587462340	YKNGBMYKSOELLY-KRWDZBQOSA-N	364.785	3.681	50	1	FHGF	
C=C1C(=O)O[C@H]2C=C(C)CC[C@@H](OO)C(=C)C[C@H](OC(=O)C(C)=CC)[C@H]12	2356386719	UBJSKQKLIONSSE-VSZNYVQBSA-N	362.422	3.507	50	1	FHGF	
Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@H](Cl)[C@H]21	2356835910	KVKPUNTZFLWTSM-FDVVPMSJSA-N	361.869	3.562	50	1	FHGF	
CCOC(=O)[C@@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C	587621668	ZHBZFXNQUFJSCU-NSHDSACASA-N	370.634	3.958	50	1	FHGF	
COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)CCCl)cc1)[C@@H](C2)C3=O	587423199	TWVIJCQVHRJTIB-JXFKEZNVSA-N	357.837	3.859	50	1	FHGF	
COC(C)(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587545620	RVCJIUQDYIFMSZ-BEFAXECRSA-N	362.809	3.756	50	1	FHGF	
CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)NCCc2cccc(Cl)c21	963390189	GOBMYPHCQFTLGG-RDTXWAMCSA-N	371.308	3.929	50	1	FHGF	
CCOC(=O)C[C@@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21	961614280	KIKDSUYPLKFSBW-INIZCTEOSA-N	372.690	3.515	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C/CBr	587875319	RMMPRGPEKIYKFN-HNQUOIGGSA-N	361.066	3.607	50	1	FHGF	
COC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587326984	NSFAZDAGPYZDAW-SJLPKXTDSA-N	350.773	3.514	50	1	FHGF	
CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCCCBr)C(=O)O	26027262	NJXHMALULPICRY-VWLVURMCSA-N	360.292	3.853	50	1	FHGF	
CC=C(C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@H](OC)C1)CCN2C	2356602741	KQIJOWWBWNZTPC-VOBQZIQPSA-N	354.450	3.576	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H](C#N)c1nc(C)cs1)O2	587415399	ZWQDUOLMSBTLJH-SJCJKPOMSA-N	361.854	3.592	50	1	FHGF	
Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1	587684021	JLYYAGGREOHIIZ-AYVTZFPOSA-N	373.653	3.901	50	1	FHGF	
CCCCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	103278938	NJRGLKOSPCKXHH-ZCFIWIBFSA-N	360.199	3.839	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CBr)(Cc1ccccc1)[C@@H](C2)C3=O	587415334	RFFRWYLDYSTGKM-KXBFYZLASA-N	373.246	3.819	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1Cl	587703728	HBZLVMLZUMPUKC-ZCLWBALQSA-N	362.670	3.734	50	1	FHGF	
NNC(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587050099	OOKONSQEJZBHTJ-NXEZZACHSA-N	361.232	3.744	50	1	FHGF	
Cc1cnc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2S)s1	103197817	XLWXXYWCRAPHJR-CHWSQXEVSA-N	361.879	3.984	50	1	FHGF	
O=C(/C=C/c1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccc(F)cc1	1772597969	KDMWXVSBQNNNPG-FGCWKTIPSA-N	373.387	3.881	50	1	FHGF	
C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)O[C@H]1O	2356404217	HKYMFIOAZKZMJH-HCVMYZNPSA-N	350.455	3.835	50	1	FHGF	
CC(C)(O)[C@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2	2356593285	FPDDUPUDFYVZHW-SQWSIXGCSA-N	350.455	3.608	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	586971158	NIDOBFASEHSLHV-ZDUSSCGKSA-N	367.222	3.749	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3cccs3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	169337604	PJBPRSMZQDWWIQ-CDRIZAFTSA-N	363.479	3.946	50	1	FHGF	
O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccc(F)cc1	4738112	SJCMEFNWHIAOAX-QOMWVZHYSA-N	368.371	3.932	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccco2)c1	38145340	HJKJQEYGHCSTQW-AZGFIHASSA-N	363.442	3.887	50	1	FHGF	
COc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(O)c3ncccc23)cc1	49089642	AZWIYXDHKVQUIN-AEFFLSMTSA-N	354.793	3.644	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cl)o1	587890558	MEZDOWWCLNVEIW-UHFFFAOYSA-N	370.619	3.676	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc([C@@H](Cl)C(N)=O)c(F)c1	587916668	RDNANTQNTOIKEC-MRXNPFEDSA-N	352.192	3.653	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ncc(Cl)cc1F)O2	587385159	MJQDZHSERYKEAR-MRXNPFEDSA-N	355.196	3.864	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccccn2)N1	587682818	DSFWDBUZLCDNNN-QFYYESIMSA-N	369.665	4.000	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccn2C)N1	587684232	KJKBTAMFRGLYLP-QLJPJBMISA-N	371.681	3.943	50	1	FHGF	
CC=C(C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](OC)C1)CCN2C	2356602740	KQIJOWWBWNZTPC-UAOJZALGSA-N	354.450	3.576	50	1	FHGF	
CC/C=C\C[C@@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O	85589386	PVTQTOGPOPGQGE-LWAFXZDQSA-N	350.455	3.796	50	1	FHGF	endogenous,in-man
C[C@H](CCl)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12	1772598808	FCPXAPLHZZUEOF-VXGBXAGGSA-N	372.860	3.880	50	1	FHGF	
COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc(Cl)c1O	13864070	MYQRAXRCIMUYRB-UFFVCSGVSA-N	370.792	3.677	50	1	FHGF	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(N(C)C)cc3)[nH]n2)cc1C	263590555	VKRJYNIBWCLRQB-UHFFFAOYSA-N	361.449	3.523	50	3	FHGF	
CCCc1c(O)ccc2c1O[C@](CCl)(CCC(=O)OCC)CC2=O	587461128	XGEJJBZBHQGTHO-GOSISDBHSA-N	354.830	3.631	50	1	FHGF	
CC(C)[C@@H](O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	103104467	XYWQVMJDMANVMI-IASSFGJVSA-N	354.487	3.644	50	1	FHGF	
CN(C(=O)[C@@H](N=C=S)c1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1	40641234	FNFPEYFFVUCCKM-QRVBRYPASA-N	357.523	3.696	50	1	FHGF	
Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1	587684009	IYUTZCJZWOFBAW-AYVTZFPOSA-N	373.653	3.901	50	1	FHGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(N)=O)c2[nH]1	586972970	DNJBQZSKUDIVOY-JTQLQIEISA-N	358.239	3.709	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc(/C=C(\C#N)C(=O)O)c(F)c1	587916416	KQULSZCEJNYKBN-OQLLNIDSSA-N	355.752	3.879	50	1	FHGF	
Cc1oncc1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	587684026	JMDDWUQWKCRLKF-GLEZIHRCSA-N	373.653	3.901	50	1	FHGF	
O=C1C[C@@]2(CCC[C@@H](Br)C2=O)Oc2c1ccc1c2CCCC1	587499667	UFFRBJIZDIRPFC-RDTXWAMCSA-N	363.251	3.786	50	1	FHGF	
Nc1ccc(Oc2ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3c2)cc1	586907905	YKMAUZZBWJMSSQ-UHFFFAOYSA-N	371.352	3.915	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc[nH]2)N1	587682408	CBUKREHPOTTXAT-BJOHPYRUSA-N	357.654	3.933	50	1	FHGF	
Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1	587544210	NCPQGUSAEFDYGE-APWZRJJASA-N	371.776	3.785	50	1	FHGF	
C[C@](Br)(CBr)C(Br)Br	238761833	VAMGFFIFAFRVTN-BYPYZUCNSA-N	373.708	3.651	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cocn2)N1	587686670	XCRWXEVFJKBLNE-RMLUDKJBSA-N	359.626	3.593	50	1	FHGF	
CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=C/C#N)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O	1772639979	YDLSCFILSJHEPL-INHQGSEMSA-N	357.494	3.644	50	1	FHGF	
O=C(NN/C=C1\C=Nc2c1ccc1ccccc21)c1ccc([N+](=O)[O-])cc1	13122513	RJPJWLQQIWVZRV-NTCAYCPXSA-N	358.357	3.739	50	3	FHGF	
C=C[C@]1(C)[C@H](Cl)C[C@@H]2[C@@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1NC	2356834514	KBVDCYGEVOQIMT-HMGRVEAOSA-N	374.912	3.753	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccccn2)N1	587682819	DSFWDBUZLCDNNN-QLJPJBMISA-N	369.665	4.000	50	1	FHGF	
O=C(CBr)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586983670	AXFDQKPZBGDZNM-UHFFFAOYSA-N	368.186	3.729	50	1	FHGF	
O=C(NCc1ccccc1)c1ccc(N(CCCl)CCCl)cc1	49745744	SMUJOARBULKATQ-UHFFFAOYSA-N	351.277	3.901	50	1	FHGF	
C=CCOC(=O)/C=C1/[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC	195321608	RKCRHDYIPXJTDY-JUFZLWGKSA-N	356.535	3.814	50	1	FHGF	
O=C1C[C@@](CBr)(c2cnccn2)Oc2c1ccc1c2CCCC1	587499282	LVPHJMZRWUCIQI-GOSISDBHSA-N	373.250	3.611	50	1	FHGF	
NC(=O)NCCC[C@H](N)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1	587259864	NUCKBWLCSPCHCE-QMMMGPOBSA-N	373.351	3.669	50	1	FHGF	
C=C[C@@H]1[C@@H](Cl)C[C@H]2C(=O)[C@@]1(N=C)c1cccc3c1[C@@H](C(=O)N3)C2(C)C	2356864042	UUFVIJICPAQYJA-SAQMXTBOSA-N	356.853	3.657	50	1	FHGF	
CC(=O)O[C@@H]1[C@H](C(C)C)CC[C@@]2(C)[C@@H]1[C@](C)(O)CC[C@H]2Br	6762852	STGVJNXXFGCHPJ-XXJXLTMMSA-N	361.320	3.915	50	1	FHGF	biogenic
CCOC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	587688780	OEFFRRNJRQXPQD-OTYXRUKQSA-N	350.659	3.593	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)CCl)c1)[C@@H](C2)C3=O	587423680	VHKBVIQOXPUFMQ-MGPUTAFESA-N	371.820	3.535	50	1	FHGF	
COc1ccc2c(c1)[C@@](C)([C@@H](Cl)C(=O)C(F)(F)F)N(C(C)C)CC2	962089903	ICLIGVHYBTXBHN-HOCLYGCPSA-N	363.807	3.916	50	1	FHGF	
CO[C@H]1O[C@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@@H]2C[Si](C)(C)C	195147790	OWRZJKGNIFIYSX-SHRADXDESA-N	358.551	3.549	50	1	FHGF	
Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccccc2)ccc1C(=O)O	219894743	WAIHZIFSCWCCTR-LPYMAVHISA-N	361.401	3.556	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C)o1)O2	587376902	YQQOREOHLCCWBU-MRXNPFEDSA-N	350.212	3.734	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccccn2)N1	587686642	WJVONGLLMVTIHU-QLJPJBMISA-N	369.665	4.000	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2c(Br)ccnc2[nH]1	587086604	FBEQVHYRJWDTBN-ZETCQYMHSA-N	351.017	3.905	50	1	FHGF	
Cc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(O)c2ccccc12	96929708	OJSKOEIFQYOLSA-OEAKJJBVSA-N	372.428	3.744	50	1	FHGF	
N#Cc1ccc2c(C(=O)[C@H](Br)CBr)coc2c1	587278178	DTVUERVPVBKMRS-SNVBAGLBSA-N	357.001	3.646	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)CCCl	587544933	PSLUXRLWYLHSKO-PBHICJAKSA-N	353.201	3.960	50	1	FHGF	
Cc1[nH]c2ccccc2c1[C@]1(CBr)NCCc2ccc(O)cc21	963352566	MGLRELCIGSMDKK-LJQANCHMSA-N	371.278	3.966	50	1	FHGF	
CCCC[C@]1(Br)O[C@@H]1C(Br)Br	2356795011	LQMKQTOBUUMAQJ-VDTYLAMSSA-N	350.876	3.783	50	1	FHGF	
COc1cc2c3c(c1)OC1(CCC(CBr)CC1)[C@@H](C2)C3=O	587415032	ZNIQIRILBKYVDE-LBCLYVMASA-N	351.240	3.767	50	1	FHGF	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(OC)c1	7077920	JIHDPLIJEANSDF-DIGQBMLOSA-N	371.264	3.745	50	3	FHGF	
COc1cccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1	103178254	QBTZIYVDZIURSE-UHFFFAOYSA-N	360.841	3.934	50	1	FHGF	
CCCC[C@@]1(Br)O[C@H]1C(Br)Br	2356795008	LQMKQTOBUUMAQJ-CAHLUQPWSA-N	350.876	3.783	50	1	FHGF	
CN(C)CCSSCCCn1cc(-c2ccc(F)cc2F)nn1	618010149	QKKOZRKYCXJKOB-UHFFFAOYSA-N	358.483	3.556	50	1	FHGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4cccnc4)cc3)[nH]c12	299827558	KZYIYCYVSRNIFJ-YDZHTSKRSA-N	355.401	3.697	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(=O)CCl)c1C)[C@@H](C2)C3=O	587423143	SQHHSBKIDQPYQO-RBZFPXEDSA-N	373.836	3.724	50	1	FHGF	
Oc1ccc2c(c1)[C@@](CBr)(c1cc(F)ccc1Cl)NCC2	963340032	FDYXLAQFWSUDOK-INIZCTEOSA-N	370.649	3.969	50	1	FHGF	
CC(=O)CCC1(Cc2ccc(Br)cc2)C2(C)OOC1(C)OO2	473085569	YAIMFNYJCAJOEO-UHFFFAOYSA-N	371.227	3.703	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCCO3	586971032	KRNNQUTYBRTCHZ-ZDUSSCGKSA-N	355.232	3.585	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)CCC[C@H]1Br	587459339	OIBADXILHWYSGQ-RHSMWYFYSA-N	367.239	3.565	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(CCc3ccccc3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43397122	COPFMDWZDDWXEP-DATWMLDGSA-N	371.477	3.677	50	1	FHGF	
NC(=S)N=Nc1c(O)n(CCCl)c2ccc(Br)cc12	253977947	XNUZMEQKCDAJPC-UHFFFAOYSA-N	361.652	3.676	50	1	FHGF	
CCn1c(SCC(=O)N/N=C\C=C\c2ccco2)nc2ccccc21	15973981	PPHVBWSUSWHLMJ-LIVRDFCGSA-N	354.435	3.557	50	1	FHGF	
CC(C)c1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1	1857572148	CHIUGXJKWXLUME-UHFFFAOYSA-N	368.458	3.587	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC=C(C)C[C@@H]2OC(C)=O	13379288	RSUGPKKDHKKQLW-JKQORVJESA-N	357.288	3.755	50	1	FHGF	biogenic
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@@H]1Br	40410358	WNYIGUMPMQQOEY-LCWDIZFYSA-N	364.667	3.979	50	1	FHGF	
N#CC1=C(N)OC2=CC(=O)/C(=C/Nc3ccccc3)C=C2[C@H]1c1ccccc1	104001905	CFXALKHOUHYTKK-KJLVKZSNSA-N	367.408	3.883	50	3	FHGF	
Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1	587684011	IYUTZCJZWOFBAW-VXJOIVPMSA-N	373.653	3.901	50	1	FHGF	
C=C(C)[C@@H](C[C@@H](O)C(C)=CCOc1cc(=O)oc2cccc(C)c12)OO	2356658307	NKPVHABUNKIXAV-NVXWUHKLSA-N	360.406	3.612	50	1	FHGF	
C[C@H]1Nc2ccccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21	1772576774	RPJKLNDIAOGRHS-GUBGCDQNSA-N	358.441	3.866	50	1	FHGF	
COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1	71341202	ZXPYUKKRRZYVGM-SSDVNMTOSA-N	356.328	3.997	50	1	FHGF	
CN[C]1SSC(=NC(=O)c2ccccc2)N1c1ccc([N+](=O)[O-])cc1	2356833368	XESSWJQHDZOLRF-UHFFFAOYSA-N	373.439	3.659	50	1	FHGF	
CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)c2ccccc2O)c1	95808645	OGPRLKBLVUSDTD-UDWIEESQSA-N	355.394	3.503	50	1	FHGF	
COc1ccc(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)cc1OC	84538199	UYRLBVHNBIPJGW-NVNXTCNLSA-N	355.390	3.685	50	1	FHGF	
COc1ccc(Cl)c2c1CCN[C@]2(CBr)c1cscn1	963256214	CFONPUXYONOWKO-CQSZACIVSA-N	373.703	3.589	50	1	FHGF	
Cc1nc2ccccc2nc1CCC(=O)N/N=C/c1ccc(Cl)cc1	1857766280	LSFOAIDNMZCILV-CIAFOILYSA-N	352.825	3.675	50	1	FHGF	
COc1ccc(/C=N/NC(=O)CCn2cc(C)c3ccccc32)cc1OC	115598893	HGBNMNSHRPWFEQ-LPYMAVHISA-N	365.433	3.507	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccn2C)N1	587684229	KJKBTAMFRGLYLP-QFYYESIMSA-N	371.681	3.943	50	1	FHGF	
ClC[C@]1(c2ccc3c(c2)CCCC3)NCCc2nc3ccccn3c21	962987161	UWBMKCVWLJRUAE-OAQYLSRUSA-N	351.881	3.841	50	1	FHGF	
COc1ccc2c(c1)[C@](CCl)(c1cc(C(=O)O)co1)N(C(C)C)CC2	962091102	LHUVVDYQWWNKQV-LJQANCHMSA-N	363.841	3.735	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@@H](Br)[C@@H](CC)O1	2356618552	ZFYWONYUPVGTQJ-NCOADZHNSA-N	355.272	3.775	50	1	FHGF	
COc1ccc(/C(C)=N/NC(=O)Nc2nc3ccc(OC)cc3s2)cc1	28823224	UPZYRJYFCRFNQX-SRZZPIQSSA-N	370.434	3.859	50	1	FHGF	
O=C(O)[C@H]1C(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1C(=O)O	587970413	GWKAQOFEAWUASC-IUCAKERBSA-N	372.271	3.719	50	1	FHGF	
Cn1c(O)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c2ccccc21	5447804	YEKCRJCUJWQBOX-WSDLNYQXSA-N	359.385	3.507	50	1	FHGF	
O=C(CCl)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1	653743766	NZTKXDYABLIVOU-KRWDZBQOSA-N	366.804	3.710	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(=O)O)co1)CC2=O	587458416	BHMMJLJBRBZLLK-GOSISDBHSA-N	364.781	3.735	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(C)=O)cs1)[C@@H](C2)C3=O	587449781	CVPFALYIMKVXHM-SCLBCKFNSA-N	362.834	3.841	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]13	2356396365	IZEWXSNCLIVJKF-XPYAVQPMSA-N	360.494	3.668	50	1	FHGF	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(Br)c1)CCN3	1857774981	RIFDWAOQOFQKCW-KRWDZBQOSA-N	368.234	3.635	50	1	FHGF	
CCCCCCN/C=C1/C=C(C=O)c2c(ccc3c(C)cc(=O)oc23)C1=O	102414441	FMPWEGRKWXOMJF-QINSGFPZSA-N	365.429	3.934	50	1	FHGF	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccc(F)cc1	73162044	QBDAZEDSXHQMAC-GJSJWPQCSA-N	374.213	3.768	50	1	FHGF	
NNC(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587050112	OOKONSQEJZBHTJ-ZJUUUORDSA-N	361.232	3.744	50	1	FHGF	
O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(F)c2[nH]1	587009509	IYXQGRLNLIGWJD-INIZCTEOSA-N	370.815	3.822	50	1	FHGF	
CC1(C)OC(C)(C)C(NNC(=O)c2cccc(C(F)(F)F)c2)=C1N=O	27555195	AALXFJSVUGSKKA-UHFFFAOYSA-N	357.332	3.505	50	1	FHGF	
CN(C)CCSSCCCNC(=O)c1cc(C2CCCCC2)no1	618017324	ONSGLBPXIAILKX-UHFFFAOYSA-N	371.572	3.785	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1Cl	587703726	HBZLVMLZUMPUKC-UYJAGUKBSA-N	362.670	3.734	50	1	FHGF	
C[C@H]1Oc2ccccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)N(C)c2ccccc21	1772635092	OXGPHGKNEVLOON-JVCPXEESSA-N	373.452	3.857	50	1	FHGF	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CCl)[C@@H]1CCC2=O	13822017	KCWRWKGGJCNOJN-WKSOIMLMSA-N	350.886	3.667	50	1	FHGF	
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N\NC(=O)c2cccnc2)o1	13108206	BGVUOZUHJNDGSD-NHDPSOOVSA-N	364.361	3.631	50	1	FHGF	
COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1ccc(C)cc1)[C@@H](C2)C3=O	587426808	BEFOACREDXGVOC-DBLFFIIXSA-N	374.440	3.616	50	1	FHGF	
FCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	82151736	QIDUJTVOCVKAIM-UHFFFAOYSA-N	353.397	3.967	50	1	FHGF	
O=N[C@@H]1[C@H](Cl)[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H](Br)[C@@H]1Br	195487070	RTOAGUKGFNBCKI-QEZQOHNYSA-N	357.473	3.542	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CCCl)c2)N1	587685280	PFWIQLUNAAIWEM-RFAUZJTJSA-N	372.669	3.647	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccn(C)c2)N1	587686238	SXIMUSQTKZGGNJ-QFYYESIMSA-N	371.681	3.943	50	1	FHGF	
COc1ccc([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1	58592783	FXCQTRADQRWBMJ-HXUWFJFHSA-N	368.396	3.919	50	1	FHGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccncc4)[C@]13OO2	100036617	SWRZOVHINXOKBW-CXQPBAHBSA-N	363.454	3.604	50	1	FHGF	
CC(C)c1ccccc1OS(=O)(=O)c1ccc(NC(=O)CCl)cc1	1857764591	RBBOZLSBUKRYHR-UHFFFAOYSA-N	367.854	3.755	50	1	FHGF	
CCN(CCCl)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	6384876	KXAHVZWNLQSGOP-IBGZPJMESA-N	357.881	3.849	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	169371811	XDUGJINPXBRUHH-YRGRLIINSA-N	368.348	3.617	50	1	FHGF	
NC(=S)/N=N/c1c(O)n(CCCl)c2ccc(Br)cc12	101647157	XNUZMEQKCDAJPC-FOCLMDBBSA-N	361.652	3.676	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc(CN(C)C(=O)CCl)o1	587912300	KYMGGBSSKYRZEI-UHFFFAOYSA-N	352.217	3.539	50	1	FHGF	
CCOC(=O)CC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587498321	MWTAZGHHRXVMNF-IBGZPJMESA-N	350.842	3.852	50	1	FHGF	
COc1cc2c3c(c1)O[C@H](c1ccc(N(C)CCCl)cc1)[C@@H](C2)C3=O	587423200	TWVIJCQVHRJTIB-OXJNMPFZSA-N	357.837	3.859	50	1	FHGF	
COc1cc(O)c2c(c1)C=CCCC[C@H](O)C[C@H](Cl)C[C@H](C)OC2=O	254014923	BECOBHILFUXGOG-CFVMTHIKSA-N	368.857	3.892	50	1	FHGF	
O=C(CNc1cccc(Cl)c1)N/N=C/c1c(Cl)cncc1Cl	653672880	SGPKBJQYKUQGKV-DENHBWNVSA-N	357.628	3.604	50	1	FHGF	
COC(=O)c1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cn1	586972739	ARAPTHXEJVAYTN-JTQLQIEISA-N	374.238	3.791	50	1	FHGF	
O=C/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587883804	YTTHAOHLKZRZQB-RQOWECAXSA-N	372.251	3.916	50	1	FHGF	
Cn1cccc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587542197	FXWFTTGTULMLBX-FXAWDEMLSA-N	369.804	3.827	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1ccc(C)cc1)[C@@H](C2)C3=O	587426810	BEFOACREDXGVOC-GBCRTSMVSA-N	374.440	3.616	50	1	FHGF	
O=C(NNC(=S)Nc1csc(-c2ccccc2)c1)c1ccc(O)cc1	169350777	YDFGYYHRRPLVPI-UHFFFAOYSA-N	369.471	3.752	50	1	FHGF	
CCOC(=O)CC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587498322	MWTAZGHHRXVMNF-LJQANCHMSA-N	350.842	3.852	50	1	FHGF	
CCCNc1ncnc2c1cnn2C[C@@H](Br)c1ccccc1	13682926	SPBLTFCYEBPYSU-CQSZACIVSA-N	360.259	3.784	50	1	FHGF	
CC(C)c1ccccc1OS(=O)(=O)c1cccc(NC(=O)CCl)c1	1857765486	FDBOTJVOYQHFCQ-UHFFFAOYSA-N	367.854	3.755	50	1	FHGF	
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC/C1=N\NC(=O)c1ccccc1	103292355	YVXGQBVQZKKSOU-QQPRGAMSSA-N	364.401	3.780	50	1	FHGF	
C[C@@H](O[P@@](N)(=O)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1	64527046	QIJPHCXXSPFIMF-ZQJOYCHOSA-N	370.173	3.519	50	1	FHGF	
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OO	85533529	RGQICUMNQVAHES-ARSRFYASSA-N	368.470	3.748	50	1	FHGF	
N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]12CCC(=O)[C@@H]2Cl	963200702	FNIXXKJBJCBUGX-HLAWJBBLSA-N	350.849	3.975	50	1	FHGF	
Cc1ccc(NC2=C(OC(=O)c3ccc(C)cc3)OC(=O)[C@@H]2Cl)cc1	169700571	FXKXCZLPTOWIRZ-OAHLLOKOSA-N	357.793	3.906	50	1	FHGF	
COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)OO	2356383730	WZTKVYVFHGGSSD-JXVIKTFJSA-N	364.482	3.974	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(/C=C/C=O)c1F)[C@@H](C2)C3=O	587426089	KOITWWWAFRCRPZ-FTPWQXHLSA-N	352.361	3.709	50	1	FHGF	
CC1(C)CC[C@H](Cl)[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12	962668712	PKRIYOMZXURHTL-NDXORKPFSA-N	372.896	3.956	50	1	FHGF	
CC(C)(C)CC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	43133459	HDIJMSOBEOLVKQ-UHFFFAOYSA-N	363.498	3.872	50	1	FHGF	
Cc1oc(C(N)=O)cc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587499102	RWVPUZWMELKPSY-FQEVSTJZSA-N	373.836	3.665	50	1	FHGF	
Cc1c(C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)ccc2c1C[C@@H](C)O2	103205495	ROIOXYBSWGBGRF-CQSZACIVSA-N	366.461	3.904	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(CCCCC[C@H]1Br)[C@@H](C2)C3=O	587417416	MJNQAJVMADVLKG-QEORTHHSSA-N	351.240	3.909	50	1	FHGF	
CCOc1ccccc1C(=O)N(NC(=O)c1ccc(OC)cc1)C(C)(C)C	103197571	HUWGTBXXQLWSOW-UHFFFAOYSA-N	370.449	3.680	50	1	FHGF	
COC(=O)[C@H](C)[C@H]1CC[C@@](C)(C=CC(=O)C(C)(C)CCCC(C)=O)OO1	2356793459	HFYOIPHYKALCPH-QINHECLXSA-N	368.470	3.576	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccccn2)N1	587686639	WJVONGLLMVTIHU-MGPLVRAMSA-N	369.665	4.000	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1	586970849	KIJBCPQPLOSVGJ-SECBINFHSA-N	352.154	3.838	50	1	FHGF	
Cc1cc(C(=O)N/N=C(\CCC(=O)O)c2cccs2)c2ccccc2n1	6052747	MRPFMQAJJIPCEF-LTGZKZEYSA-N	367.430	3.604	50	3	FHGF	
O=S(=O)(/N=[S@](/Nc1ccccc1)C(Cl)Cl)c1ccccc1	6575364	UGOZXDJQLDZVAJ-HXUWFJFHSA-N	363.291	3.966	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@@H]([C@H](Br)CC)O1	2356773016	OELZRAJPVXSYFO-QZWWFDLISA-N	355.272	3.775	50	1	FHGF	
COc1ccc([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1CCl	963030263	QNBWAISECPLCAJ-LHSJRXKWSA-N	370.880	3.751	50	1	FHGF	
C[C@]1(CCCCCl)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962642370	ZGOBYAPILBBRHB-IAQYHMDHSA-N	365.779	3.808	50	1	FHGF	
Br[C@@H](Cn1ncc2c(N3CCCC3)ncnc21)c1ccccc1	13682955	DQXUUKNQWFXTSK-HNNXBMFYSA-N	372.270	3.563	50	1	FHGF	
Cc1ccccc1NC(=O)N(CCCNC(=O)CCl)c1ccccc1	45302874	BUOJHEVZEAEJPH-UHFFFAOYSA-N	359.857	3.779	50	1	FHGF	
O=C(NCc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2382225825	WCMQNTSLLUQUIA-FYJGNVAPSA-N	364.361	3.688	50	1	FHGF	
COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1OC	587087484	QXGPVMCWXILYTP-LLVKDONJSA-N	359.195	3.542	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)O[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4	195245801	NEGWVKPKTURHQB-UUFHMWEXSA-N	358.434	3.762	50	1	FHGF	
NNC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1	587165028	JNSQNBFVSCRCNH-UHFFFAOYSA-N	352.394	3.701	50	1	FHGF	
CCS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1	587087407	PWIYXZFPYHYZJL-LLVKDONJSA-N	363.252	3.541	50	1	FHGF	
COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)CCl	1857574426	KMQWKQKHZKUXMR-UHFFFAOYSA-N	373.792	3.714	50	1	FHGF	
Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)s1	103204020	UFHXHSSYGBSDMK-DJKKODMXSA-N	363.870	3.612	50	1	FHGF	
CC[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587539026	UGVHBLZBSUVVNQ-WMLDXEAASA-N	363.207	3.898	50	1	FHGF	
O=C[C@@H](Br)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586983969	FMNJSUBWTLQGJP-GFCCVEGCSA-N	368.186	3.787	50	1	FHGF	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ncccc14)([C@@H](C)Cl)[C@@H](C2)C3=O	587418980	VJMLBHAEMUGHTO-UHMLPPNMSA-N	368.820	3.842	50	1	FHGF	
O=C(N/N=C/c1ccncc1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	653754303	GLLNGNKGLVOTRA-ZVHZXABRSA-N	369.380	3.619	50	1	FHGF	
OB(O)c1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12	1772582219	WGFMOSHCJNZZIW-UHFFFAOYSA-N	366.229	3.509	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3cccs3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	169337608	PJBPRSMZQDWWIQ-UKZLPJRTSA-N	363.479	3.946	50	1	FHGF	
C[C@@H]1CC[C@@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]32OO4	195245780	NEGWVKPKTURHQB-ZSBOHZQESA-N	358.434	3.762	50	1	FHGF	
CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCO)CCC[C@@H]3C[C@@H]2C[Si](C)(C)C	195135925	OWRZJKGNIFIYSX-SSDAWUQTSA-N	358.551	3.549	50	1	FHGF	
CN(C)CCSSCCNC(=O)Cc1ccc(Cl)cc1Cl	618007713	FSCJNUGBVIRBDZ-UHFFFAOYSA-N	367.367	3.595	50	1	FHGF	
CCOC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	587688709	NIJPHBQXLGXBNC-XPTSAGLGSA-N	350.659	3.593	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cocn2)N1	587686671	XCRWXEVFJKBLNE-RTHLEPHNSA-N	359.626	3.593	50	1	FHGF	
O=C(N/N=C/c1ccc(Cl)cc1)c1[nH]nc2c1Cc1cc(F)ccc1-2	1857542319	FZWUUGFCJOQOMA-ZVBGSRNCSA-N	354.772	3.537	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(O)c(O)c1)CC2=O	587462043	VWXAXMLGBCJGBR-LJQANCHMSA-N	362.809	3.855	50	1	FHGF	
N#C/C(=C(/N)S[C@@H]1C=CC=CC1)c1cccc([C@@H](O)c2ccncc2)c1	95564500	YYDPEIRKANIXMV-JXQDGVRSSA-N	361.470	3.932	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccn2C)N1	587684227	KJKBTAMFRGLYLP-HWPZZCPQSA-N	371.681	3.943	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)CCl)O2	587372825	NCFRSUVYIYMSEU-IBGZPJMESA-N	358.825	3.635	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(O)c1)O2	587374253	OTSFFOGINWXDFF-QGZVFWFLSA-N	362.223	3.538	50	1	FHGF	
CCOC(=O)[C@]1(CCBr)CCc2c1nc1cccc3c1c2CC3	587208634	WMORMHSKKWBDLX-IBGZPJMESA-N	374.278	3.866	50	1	FHGF	
CN(C(=O)Cc1cccc(N=C=S)c1)[C@@H]1CCCC[C@H]1N1CCCC1	40639332	WUMHMDKKMXDQOX-RTBURBONSA-N	357.523	3.829	50	1	FHGF	
COc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587416996	HSIPBGAMSYIHBR-GAFLKWJRSA-N	358.821	3.974	50	1	FHGF	
O=C(CBr)Nc1ccc(Oc2ccc(C(=O)O)cc2)cc1	29562227	HBNMEUMDJRGODR-UHFFFAOYSA-N	350.168	3.511	50	1	FHGF	
COC(=O)C[C@H](C)CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C	2356628925	LCUPVVXMLBHYRG-QVWLALMTSA-N	350.499	3.914	50	1	FHGF	
CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccccc3)n2)c2ccccc21	73164763	AYYCDTPPMNKFGM-UHFFFAOYSA-N	373.460	3.567	50	1	FHGF	
C=C(C[C@H](O)C=C(C)C)[C@]1(O)CC[C@](C)(Br)[C@H](Cl)C1	2356731851	GUWOIVVOEBUYQH-KBXIAJHMSA-N	351.712	3.936	50	1	FHGF	
O=C(c1ccccc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	44069493	LVAVTADOHUQDGG-UHFFFAOYSA-N	369.461	3.750	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccs1)O2	587413880	QSEKCZGIWKPJEC-HNNXBMFYSA-N	352.253	3.894	50	1	FHGF	
Cc1cc(Br)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1	586908238	RELBYPSKSFUXLN-UHFFFAOYSA-N	357.163	3.611	50	1	FHGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(N)=O)cc2[nH]1	586973252	HBPAUEYJJWEONL-JTQLQIEISA-N	358.239	3.709	50	1	FHGF	
C=CCn1c(SC/C(O)=C(/C#N)C(C)=N)nc2sc(C)c(C)c2c1=O	101832663	ZLNAOXSGBDHTPT-AOSCNLIZSA-N	374.491	3.728	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCBr	587537914	LQJAXMAJHQQVBE-DZGCQCFKSA-N	363.207	3.898	50	1	FHGF	
CC(=O)O[C@H]1CC(C=O)=CC=C2C3=C(C(C)C)CC[C@]3(C(=O)O)CC[C@]21C	14497177	HOSRLRWNDVYKNJ-BWAGFHJFSA-N	372.461	3.991	50	1	FHGF	
COC(=O)C1=C(CCl)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl	49071033	HXMHWKPUYLJIJN-AWEZNQCLSA-N	355.196	3.629	50	1	FHGF	
COC(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2n1	586974145	RIOLYBAUWWJPRL-SNVBAGLBSA-N	374.238	3.791	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cc([N+](=O)[O-])c[nH]1)CC2=O	587462341	YKNGBMYKSOELLY-QGZVFWFLSA-N	364.785	3.681	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@@H](C#N)[C@H]1c1ccnc2ccccc12	169723624	FJPLSTBZPKSPRK-RHSMWYFYSA-N	353.809	3.599	50	1	FHGF	
CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(Cl)cc2)cc1	209106988	MOXPCRBYYVXJAH-HNENSFHCSA-O	351.817	3.551	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)cc1)O2	587384959	QGEIASWNAMQPEV-QGZVFWFLSA-N	364.214	3.972	50	1	FHGF	
N#CC1=C(SCC(N)=O)N=C2C(=C(O)c3ccccc32)[C@@H]1c1ccccc1	104701895	KPQNXMKELGCCBW-QGZVFWFLSA-N	373.437	3.509	50	1	FHGF	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](Br)[C@H]2O	2356495862	ICCJJRSEGGYXMX-CJNLHWCBSA-N	351.284	3.983	50	1	FHGF	
N#C/C(=C\NC1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1	33779974	GLQUAPMTTNRVDR-SAPNQHFASA-N	351.475	3.592	50	1	FHGF	
COc1ccc(Cl)c2c1CCN[C@@]2(CBr)c1cscn1	963256213	CFONPUXYONOWKO-AWEZNQCLSA-N	373.703	3.589	50	1	FHGF	
COc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(O)c3ncccc23)cc1	49089639	AZWIYXDHKVQUIN-FUHWJXTLSA-N	354.793	3.644	50	1	FHGF	
O=C(NNc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1	13779064	RNLVSBAEKQHTSD-UHFFFAOYSA-N	371.400	3.534	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc[nH]1	587541917	DTLQGKHTIKJCBL-QFBILLFUSA-N	355.777	3.816	50	1	FHGF	
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC/C1=N\NC(=O)c1cccs1	103289655	OMOQYPXIHKOSTP-RJQOPERDSA-N	370.430	3.842	50	1	FHGF	
CCc1ccc(-c2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cs2)cc1	587016495	WYGBWGLNGMQKIG-UHFFFAOYSA-N	363.446	3.519	50	1	FHGF	
COC(=O)CCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12	95808680	ABOCPOPXEUXVIA-KGENOOAVSA-N	356.422	3.509	50	1	FHGF	
CC[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587539025	UGVHBLZBSUVVNQ-RHSMWYFYSA-N	363.207	3.898	50	1	FHGF	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CC2)cc1	20157951	PFIVUVPFOSVBPJ-MJEARJAWSA-N	361.445	3.679	50	1	FHGF	
C=C[C@@H]1[C@@H](Cl)C[C@H]2C(=O)[C@@]1(N=C)c1cccc3c1[C@H](C(=O)N3)C2(C)C	2356864039	UUFVIJICPAQYJA-LCGWFWDXSA-N	356.853	3.657	50	1	FHGF	
CO[C@@H]1O[C@]2(c3ccc(COC(C)=O)cc3)CC[C@H]3CCCC[C@@]31OO2	38153521	FGFMXJTULHPRPY-VBSBHUPXSA-N	362.422	3.576	50	1	FHGF	
C[C@H](Br)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	587008130	HUIYOGJQJPPEBI-QMMMGPOBSA-N	355.191	3.794	50	1	FHGF	
CC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=C[C@H](OC(=O)C=Cc3ccccc3)[C@H]12	2356324927	MBSDPPCRLFNZBS-NQAVQENRSA-N	368.473	3.944	50	1	FHGF	
Cc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1	73141157	CHFMSHZYJZHMJQ-PGGKNCGUSA-N	373.334	3.619	50	1	FHGF	
O=C1C(O)=C([C@@H](NCCCCl)c2ccccc2O)C(=O)c2ccccc21	653912122	FXHSYGLMIOXGQO-KRWDZBQOSA-N	371.820	3.543	50	1	FHGF	
Cc1[nH]c2ccccc2c1[C@@]1(CBr)NCCc2ccc(O)cc21	963352565	MGLRELCIGSMDKK-IBGZPJMESA-N	371.278	3.966	50	1	FHGF	
COc1ccc([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1CCl	963030270	QNBWAISECPLCAJ-SPLOXXLWSA-N	370.880	3.751	50	1	FHGF	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CCl)[C@H]1CCC2=O	253633647	KCWRWKGGJCNOJN-SEVYPCERSA-N	350.886	3.667	50	1	FHGF	
CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1Cl	587550320	UTXNJVMNRPDFEN-LVFSCSRESA-N	360.793	3.509	50	1	FHGF	
NNC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1	587145730	QMYXFZXJZNANOC-UHFFFAOYSA-N	360.392	3.563	50	1	FHGF	
O=C(NN/C=C1/C=CC=N1)c1ccccc1OCc1ccccc1Cl	15953127	DTHOKWLYAMQWFR-QINSGFPZSA-N	353.809	3.635	50	3	FHGF	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1)[C@@H](Br)C2=O	103113674	JLKGVIGPYYRFHH-JCURWCKSSA-N	350.256	3.784	50	1	FHGF	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1F	73159678	AIUYYXGGJVCSSG-UTEVDWOZSA-N	374.213	3.768	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(Br)C2)N1	587685897	UMOBVAZQRNUEIS-LHROUJJASA-N	363.068	3.875	50	1	FHGF	
CC(C)C(=O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	103105605	XGWKNNXWFIXZRD-MFFQEWLYSA-N	352.471	3.852	50	1	FHGF	
Nc1ccc(Cl)cc1OC(=O)c1cc2cc(CCl)ccc2oc1=O	28703739	DKFAGWSFVUIDCN-UHFFFAOYSA-N	364.184	3.987	50	1	FHGF	
CN(C)/C=C(\C#N)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C#N	84596578	TVQLLZCYFRJHHJ-FMIVXFBMSA-N	356.838	3.848	50	1	FHGF	
C=C(C)[C@H](CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO)OO	238766580	IYTCEJNETYVSPC-TYWAAFNRSA-N	360.406	3.613	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2ccc(Br)nc2[nH]1	586970802	JESCCJNPSSSEEA-QMMMGPOBSA-N	363.053	3.581	50	1	FHGF	
O=C(N/N=C\c1ccc(Br)cc1)c1ccc(Br)o1	33288601	VTEFGTYURIUYDU-CHHVJCJISA-N	372.016	3.569	50	1	FHGF	
O=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3(F)F	49783693	RXAVXHMQGMZABO-UHFFFAOYSA-N	358.381	3.724	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccsc1)[C@@H](C2)C3=O	587453105	PQERHOHRRGWWOJ-BLLLJJGKSA-N	365.248	3.795	50	1	FHGF	
N#CC(=C(O)COC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1	1857622306	UTYQGMWDTPHFDQ-UHFFFAOYSA-N	372.384	3.623	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(=O)CCl)c1C)[C@@H](C2)C3=O	587423145	SQHHSBKIDQPYQO-RNODOKPDSA-N	373.836	3.724	50	1	FHGF	
C[C@]1(C=O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CCl)[C@@](O)(CC[C@H]21)C3	13385908	DTMIPKXLCMUODX-BQTQRSMXSA-N	354.918	3.683	50	1	FHGF	biogenic
COc1ccc([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1CCl	963030268	QNBWAISECPLCAJ-QKKBWIMNSA-N	370.880	3.751	50	1	FHGF	
O=C(N/N=C/c1ccc(Cl)cc1)c1c[nH]c2cc(Cl)ccc2c1=O	1857629979	KKGAAEPYTZOIEZ-ODCIPOBUSA-N	360.200	3.599	50	1	FHGF	
CN(C)CCOc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1	587087771	TZMBDCAIBYZWHL-CYBMUJFWSA-N	358.255	3.687	50	1	FHGF	
C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1OO	2356386721	UBJSKQKLIONSSE-XWTMOSNGSA-N	362.422	3.507	50	1	FHGF	
CC(=N)/C(C#N)=C(\O)CSc1nnc(COc2ccccc2Cl)o1	103108102	UHTSFBMRRRMYAO-MNKDCPBASA-N	364.814	3.769	50	1	FHGF	
CCOC(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586985358	FXBQRHFEUFWKSP-SFHVURJKSA-N	367.788	3.995	50	1	FHGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=N)N)cc2[nH]1	586973490	KLJUELYNKABZHV-JTQLQIEISA-N	357.255	3.894	50	1	FHGF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(C(N)=O)oc2C)N1	962952776	VVUWCDCXSXXQRV-FKIZINRSSA-N	371.868	3.575	50	1	FHGF	
Cc1oncc1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	587684024	JMDDWUQWKCRLKF-ANRSDYALSA-N	373.653	3.901	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccccn1	587545980	ULUYQPZUYURZCG-PXNSSMCTSA-N	367.788	3.883	50	1	FHGF	
BrCc1nc2cc(Br)c(Br)cc2[nH]1	586970908	IFPHEUKKTQXSTD-UHFFFAOYSA-N	368.854	3.983	50	1	FHGF	
C=C(C)[C@H](Cc1c(OC)ccc(C(=O)C=Cc2ccc(O)cc2)c1O)OO	2356535454	AJERVVHSERWGFL-FQEVSTJZSA-N	370.401	3.979	50	1	FHGF	
CCNC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3	621432782	YOSPOSXJAJOVEB-KSHZJZJQSA-N	351.443	3.502	50	1	FHGF	
CCCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@@H]1C	43815890	DNGRLEKYBFBPEF-STIUTOJCSA-N	351.535	3.873	50	1	FHGF	
Cc1oncc1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	587682012	AZRNZLPSDHXLDD-AYVTZFPOSA-N	373.653	3.901	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](c1ccc(O)c(OC)c1)([C@H](C)Cl)[C@@H](C2)C3=O	587419666	XQAQXPYRXGVSNE-ZNUZLIQOSA-N	374.820	3.680	50	1	FHGF	
O=C1C[C@@](CBr)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1	587499479	NHLDINVPGLZWJE-SCLBCKFNSA-N	365.267	3.701	50	1	FHGF	
COOc1ccc(-c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)o2)cc1	95558546	VPCBTTQZKJYZHN-UHFFFAOYSA-N	361.335	3.504	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccsc1)O2	587414723	VEHMBVUCVPFRFN-HNNXBMFYSA-N	352.253	3.894	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](Br)C1=O)CC2=O	587457665	ACSMWBJTBTUCPP-SJKOYZFVSA-N	367.239	3.565	50	1	FHGF	
CS(=O)(=O)/C(C#N)=C/c1cc(-c2ccc3ccccc3n2)ccc1F	1857591370	ANYDBFRINSBJOG-LFIBNONCSA-N	352.390	3.950	50	1	FHGF	
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CCN=C=S	3647719	LTKSVYFAUMFQML-UHFFFAOYSA-N	373.840	3.766	50	1	FHGF	
Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)s1	472791610	UFHXHSSYGBSDMK-UHFFFAOYSA-N	363.870	3.612	50	1	FHGF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2NP(=O)(c1ccccc1)c1ccccc1	103285680	QTMASLMEAJGRBW-VMBXEPDQSA-N	369.445	3.691	50	1	FHGF	
COc1ccccc1Nc1ccccc1-c1nc2ccc(C(=O)NN)cc2[nH]1	587239916	BPAFYNYBOCSZLY-UHFFFAOYSA-N	373.416	3.586	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C[C@@H]1Br	587371175	DQNQRRNFEHWMMP-WMZOPIPTSA-N	358.235	3.758	50	1	FHGF	
C#CCC=C[C@@H]1O[C@H]([C@H](Br)CC=CCC)C[C@H]1OC(C)=O	2356722995	WQGFWXLZHZPRSS-LTIDMASMSA-N	355.272	3.775	50	1	FHGF	
NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1	73410712	KHIQYIPKDNBPCT-UHFFFAOYSA-N	367.229	3.780	50	1	FHGF	
Cc1oncc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587542383	GZDFQUVSCBSLER-QFBILLFUSA-N	371.776	3.785	50	1	FHGF	
Cc1ccc(S(=O)(=O)N2CC[C@@H](Br)C[C@@H]2CC(C)C)cc1	28704306	QTTQBMSDBZYYKD-CABCVRRESA-N	374.344	3.958	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@@H](c2ccc(O)cc2)NC1=O	84619598	MEPLKYSSEWRXGR-KRWDZBQOSA-N	354.456	3.922	50	1	FHGF	
CC(C)(OO)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@H]2C[C@H]1OO3	105442689	HAPYGVXWHYQMIJ-ZUTBWFKHSA-N	366.454	3.961	50	1	FHGF	biogenic
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1Cl	587703725	HBZLVMLZUMPUKC-JWTAOEPYSA-N	362.670	3.734	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4	101288143	XDUGJINPXBRUHH-PPAVVJMBSA-N	368.348	3.617	50	1	FHGF	
COc1ccc([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1	64372952	FXCQTRADQRWBMJ-FQEVSTJZSA-N	368.396	3.919	50	1	FHGF	
O=C(CCc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)CCl	26158941	VUVHONBYYKJWAW-KRWDZBQOSA-N	364.272	3.808	50	1	FHGF	
O=C1c2cc3c(cc2-c2c1c1ccccc1c(=O)n2CCCCl)OCO3	27185275	BAQZVDOLWUUOBQ-UHFFFAOYSA-N	367.788	3.571	50	1	FHGF	
CCS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1	587087408	PWIYXZFPYHYZJL-NSHDSACASA-N	363.252	3.541	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cncc(Br)c2[nH]1	586971290	QNVSRNNBIMUWOT-SECBINFHSA-N	363.053	3.581	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C#N)cc1)O2	587370793	BUORXJFTPRSPJL-GOSISDBHSA-N	371.234	3.705	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1	586971735	XCNSIVSEQBEIOI-QMMMGPOBSA-N	352.154	3.838	50	1	FHGF	
COc1ccc(C(=O)NN=C(c2ccccc2)c2ccc(N(C)C)cc2)cc1	2356743560	LRSFNJZESOBJKQ-UHFFFAOYSA-N	373.456	3.944	50	1	FHGF	
Cc1ccc(/C=C(/C#N)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1	587187497	HWJGCAIVWSERBT-UNOMPAQXSA-N	358.445	3.768	50	1	FHGF	
CO[C@@H]1O[C@]2(c3ccc(COC(C)=O)cc3)CC[C@H]3CCCC[C@]31OO2	101390792	FGFMXJTULHPRPY-RSPOEFSDSA-N	362.422	3.576	50	1	FHGF	
Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](Cl)[C@H]21	2356835912	KVKPUNTZFLWTSM-WHDWGMSBSA-N	361.869	3.562	50	1	FHGF	
C[C@@](Br)(CBr)C(Br)Br	2356682458	VAMGFFIFAFRVTN-SCSAIBSYSA-N	373.708	3.651	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2ccc(CN3CCOCC3)cc2[nH]1	587087335	OMCIUQHAMLVWNM-CQSZACIVSA-N	370.266	3.579	50	1	FHGF	
CC(=N)/C(C#N)=C(/O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1	101875489	DXSXAUJWIKKAHN-JRADPHPPSA-N	366.349	3.805	50	1	FHGF	
CN(C(=O)Cc1ccc(N=C=S)cc1)[C@@H]1CCCC[C@H]1N1CCCC1	40504415	QNXAPTVJOCKJHU-RTBURBONSA-N	357.523	3.829	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2cc(Br)ncc2[nH]1	587086925	JDYXHUJJMBVJGT-MRVPVSSYSA-N	351.017	3.905	50	1	FHGF	
COc1ccccc1/C=C/C=C/NNC(=O)COc1ccc(Cl)cc1C	1911582596	SSPARDOYANZYJK-TUXZCDOTSA-N	372.852	3.884	50	1	FHGF	
NNC(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1	587015424	CSMUGGZZDDVRTE-UHFFFAOYSA-N	369.837	3.610	50	1	FHGF	
COC(C)(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587545631	RVCJIUQDYIFMSZ-DNVCBOLYSA-N	362.809	3.756	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(=O)O)co1)CC2=O	587458417	BHMMJLJBRBZLLK-SFHVURJKSA-N	364.781	3.735	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	101311115	GTWREXBWRJAYAW-GXKBOUQBSA-N	366.376	3.773	50	1	FHGF	
CN(C)CCSSCCCC(=O)Nc1nc2ccccc2s1	621476352	FJVBWIBQQZRMPS-UHFFFAOYSA-N	355.554	3.958	50	1	FHGF	
CCOC(=O)[C@]1(CCCCCCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587419549	FCOPVIHPIQZTDW-AUUYWEPGSA-N	366.841	3.544	50	1	FHGF	
C[C@@]1(c2ccc(CBr)cc2)NCCc2c(C(=O)O)cccc21	963124344	PLHORRLEWRNJAW-SFHVURJKSA-N	360.251	3.689	50	1	FHGF	
N=C(CSSC/C(N)=N/Cc1ccccc1)NCc1ccccc1	1733099	CSIXIZVVFPWKSJ-UHFFFAOYSA-N	358.536	3.692	50	1	FHGF	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(OC)c1	7077926	JIHDPLIJEANSDF-JVWRSAMISA-N	371.264	3.745	50	3	FHGF	
CCOC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587326079	JOZKIWWOPLGHNG-IEBWSBKVSA-N	364.800	3.904	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@@H](C#N)[C@H]1c1ccc(F)cc1Cl	169723618	STCGVXGUSGZYKZ-BXUZGUMPSA-N	355.196	3.843	50	1	FHGF	
CCc1nn(C)c(C(=O)N[C@H](CCl)c2ccc(Cl)cc2)c1Cl	103170588	DTFHVJFJFXUGSX-GFCCVEGCSA-N	360.672	3.999	50	1	FHGF	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc(C#CCCO)c1	73195817	UHMFYJZYUSSWPK-JOCHJYFZSA-N	366.420	3.792	50	1	FHGF	
Cc1c(O)ccc2c1[C@H](CCCCCCBr)N[C@H](C(=O)O)C2	963488834	FYVMMXIHQXWDOT-KBPBESRZSA-N	370.287	3.686	50	1	FHGF	
C[C@@]1(c2cc(Cl)cc(CCl)c2O)NCCc2c(C(=O)O)cccc21	963136110	YGXQQPZTPSOQPU-GOSISDBHSA-N	366.244	3.892	50	1	FHGF	
C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCCC2)OO1	43104357	WKQDQQJZSXKYFX-OAHLLOKOSA-N	360.859	3.511	50	1	FHGF	
CC(=O)OCc1cc2c(c(COC(C)=O)c1CCCl)CC(C)(C)C2	144546090	UARLGPBHIFHQRS-UHFFFAOYSA-N	352.858	3.719	50	1	FHGF	
CC(=O)Oc1ccc(C[C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587373778	SQUZBUADWCDHPJ-HXUWFJFHSA-N	373.836	3.688	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1[nH]c(C)c(C(C)=O)c1C)[C@@H](C2)C3=O	587420100	GIXQIGLMDBQWDG-XOBRGWDASA-N	373.836	3.724	50	1	FHGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	586974438	WPELLAHZTKWQTR-VIFPVBQESA-N	361.199	3.913	50	1	FHGF	
CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(OCCCCl)c3)c3cccc1c32	963030478	QXFOOEZJYOORAH-VFNWGFHPSA-N	370.880	3.837	50	1	FHGF	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(NC(=O)c2ccccc2)cc1	15894582	PJHHIPIWLLENDZ-IWIPYMOSSA-N	373.412	3.799	50	1	FHGF	
Cc1cccc2oc(=O)cc(OCC=C(CO)CC=CC(C)(C)OO)c12	2356584894	WMJSNQVQXMQXJZ-UHFFFAOYSA-N	360.406	3.613	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2cc(Br)cnc2[nH]1	587087688	SQBFQWBLYNTQNB-SSDOTTSWSA-N	351.017	3.905	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1F)O2	587385952	RPSSXSJFSASOGP-QGZVFWFLSA-N	364.214	3.972	50	1	FHGF	
O=C(N/N=C/c1ccc(/C=C/C(=O)c2ccccc2F)cc1)c1ccncc1	1772596160	MJUVYKBJJXFVNH-XFKZWWPLSA-N	373.387	3.881	50	1	FHGF	
CCCC[C@]1(O)OOC(c2ccccc2)(c2ccccc2)C[C@@H]1C(=O)OC	1857590083	PEHMOOZTWRAVTJ-KNQAVFIVSA-N	370.445	3.950	50	1	FHGF	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc(C#CCCO)c1	73195818	UHMFYJZYUSSWPK-QFIPXVFZSA-N	366.420	3.792	50	1	FHGF	
COC(=O)[C@@H](Cl)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O	586985013	DBHWPBCECAVPJT-KRWDZBQOSA-N	367.788	3.913	50	1	FHGF	
CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C)cc1	103185767	ADEIUYVKYBIUBX-UHFFFAOYSA-N	366.461	3.956	50	1	FHGF	
CC[n+]1ccc(-c2cc[n+](Cc3ccc(CBr)cc3)cc2)cc1	49045637	AFLZADQGEPFDKF-UHFFFAOYSA-N	369.306	3.892	50	1	FHGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1	586973271	HDSUBTALBXMRRX-SECBINFHSA-N	361.199	3.913	50	1	FHGF	
O=C(Nc1ccccc1C(=O)N/N=C\c1ccco1)c1ccccc1Cl	13108423	CSJXTUUPRBJFDK-MTJSOVHGSA-N	367.792	3.949	50	1	FHGF	
Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])cc1	1772627947	UIFURPBRUPMSLM-QGZVFWFLSA-N	360.373	3.548	50	1	FHGF	
CC=C1C[N@+]2(CCl)[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2ccccc12	2356359857	UIEKHYIYGGOXQK-YSUODITOSA-N	357.905	3.746	50	1	FHGF	
C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC(=O)O[C@@H]1O	2356404218	HKYMFIOAZKZMJH-PGABNPELSA-N	350.455	3.835	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(O)c(C)c1)[C@@H](C2)C3=O	587416681	BYSBLZZTZPMQDO-YWZLYKJASA-N	358.821	3.899	50	1	FHGF	
C=C(C)[C@H](Cc1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)OO	14262149	AJERVVHSERWGFL-FXVWLTTGSA-N	370.401	3.979	50	3	FHGF	
CCCCCCCCCCC[C@@H]1CCN[C@H](C(=O)NC[C@H](O)CCl)C1	1857568920	NFENDSRCCQCDHL-QRVBRYPASA-N	374.997	3.991	50	1	FHGF	
CC(=O)O[C@H]1C[C@H]2[C@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3CC[C@]23C=C(C=O)[C@H]1C3	40873737	IVFSWFOITAPOCR-RVXFQSDISA-N	374.477	3.761	50	1	FHGF	
CCO/C=C(\C#N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587732331	LEDAHPSOACLMCN-INWMDPRLSA-N	353.235	3.782	50	1	FHGF	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC2CCCC2)cc1	1857588688	UBBPHZWCQNVOOU-IBGZPJMESA-N	368.433	3.653	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2cccnc2)c1	38145377	VZGYTIMXFWIIJM-HKRCYGBASA-N	374.469	3.689	50	1	FHGF	
CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)CCl	587620186	AIIQTFVRWYTSPN-UHFFFAOYSA-N	355.623	3.546	50	1	FHGF	
C#C/C=C/C[C@H]1O[C@@H]([C@@H](Br)C/C=C/CC)C[C@H]1OC(C)=O	36423615	BUFQJMZKMZGEFE-GIGMYMNUSA-N	355.272	3.775	50	1	FHGF	
C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=N)N)cc2[nH]1	586973493	KLJUELYNKABZHV-SNVBAGLBSA-N	357.255	3.894	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc2cc(C(=O)NN)ccc2c1	587908053	STLSXESZXAXHIS-UHFFFAOYSA-N	350.805	3.505	50	1	FHGF	
C=C(C)[C@@H](Cc1c(OC)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O)OO	218091919	AJERVVHSERWGFL-ATYVUACHSA-N	370.401	3.979	50	1	FHGF	
O=C(NNc1ccc(C(F)(F)F)cc1)C12C3[C@H]4C=C[C@H]1[C@@H]4[C@H]1[C@H]3C=C[C@H]12	1772589478	RBQGRCAZPWIENP-VDISGCQMSA-N	358.363	3.629	50	1	FHGF	
COc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1	103183584	HZWPVJBGHRJKJJ-UHFFFAOYSA-N	360.841	3.934	50	1	FHGF	
CC(C)CCC(=O)N/N=c1\sc2cc(OC(F)(F)F)ccc2n1C	101635556	UTBTUCQPGOAGLY-ZHZULCJRSA-N	361.389	3.507	50	1	FHGF	
COc1cc([C@H]2OC(N)=C(C#N)C3=C2[C@@H](C)CCC3)cc(OC)c1OC	1652455	SUVJNRIDMSOZQY-BBATYDOGSA-N	356.422	3.594	50	1	FHGF	
CCOC(=O)Cc1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1	586971481	SQSSBQVZYQYZRA-CQSZACIVSA-N	369.259	3.530	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]13	2356367002	UKKLQQNAXRBSIP-FPSGSIFCSA-N	374.477	3.761	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1cccc(/C=C\C=O)c1F)[C@@H](C2)C3=O	587426092	KOITWWWAFRCRPZ-YNBJBIRTSA-N	352.361	3.709	50	1	FHGF	
COc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1	587419684	XTESFHIRQOKIQS-FOIQADDNSA-N	374.820	3.594	50	1	FHGF	
CN(C)C(=O)c1ccc2c(c1)[C@@](CCl)(C1CCC(F)(F)CC1)NCC2	962930643	YSLAFTLPNBKBNX-LJQANCHMSA-N	370.871	3.794	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3	2356473619	LBHNBCSSFWFWIR-QNDFHXLGSA-N	362.466	3.761	50	1	FHGF	
CCCCC(Br)(Br)[C@@H]1O[C@H]1Br	13379398	KNBWKACANPXXPL-PHDIDXHHSA-N	350.876	3.783	50	1	FHGF	biogenic
COc1ccccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C	653857938	HOYQKIPCFULEJV-UHFFFAOYSA-N	360.841	3.934	50	1	FHGF	
Cc1cc(C)c2c3c(sc2n1)C1(CCN(C(C)C)CC1)C(C#N)=C(N)O3	2493386	IEHQGOUVUYFRDK-UHFFFAOYSA-N	368.506	3.741	50	1	FHGF	
COc1cc(C=C(C#N)C#N)cc(CSc2ccccc2C(=O)O)c1O	13833849	BSYPGOABDXSGOL-UHFFFAOYSA-N	366.398	3.822	50	1	FHGF	
CCCC(=O)Nc1ccc(C(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1	33903830	XIGXRGVSNFQOLJ-QGOAFFKASA-N	362.433	3.807	50	1	FHGF	
O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587883323	GQQCAXYLFDCIMY-UHFFFAOYSA-N	359.212	3.671	50	1	FHGF	
C[C@@]1(c2ccc(CBr)cc2)c2ccsc2CCN1C(N)=O	962705854	HJHSDQVLCJTGJK-MRXNPFEDSA-N	365.296	3.843	50	1	FHGF	
CCc1ccc(C(=O)NN(C(=O)c2ccc3ncoc3c2)C(C)(C)C)cc1	103185755	HXKRJMBNCQYBPX-UHFFFAOYSA-N	365.433	3.976	50	1	FHGF	
O=C(CCc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl	26153584	AHGLOYLSWSBUDE-KRWDZBQOSA-N	364.272	3.808	50	1	FHGF	
CC[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587539027	UGVHBLZBSUVVNQ-YOEHRIQHSA-N	363.207	3.898	50	1	FHGF	
Cc1oncc1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	587681980	AZRNZLPSDHXLDD-ANRSDYALSA-N	373.653	3.901	50	1	FHGF	
COc1cc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc(OC)c1	49722628	IBCNGCWXJWSCOQ-LJQANCHMSA-N	363.454	3.524	50	1	FHGF	
COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	40584789	KDHTVYPAVOLRTG-OQLLNIDSSA-N	353.374	3.511	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4OO[C@]3(C=C4C(C)(C)O)CC[C@@H]21	96909963	IOWHRFKVRZOMCP-UMNALJOJSA-N	364.482	3.552	50	1	FHGF	
Cc1ccnc2c1CCN[C@@]2(CBr)c1ccc(Cl)cc1	963065567	FPKPTCNVBQMGFQ-INIZCTEOSA-N	351.675	3.828	50	1	FHGF	
CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1S2(=O)=O	988601	ISAQDGNACQZTAT-KRWDZBQOSA-N	368.845	3.980	50	1	FHGF	
C=C1[C@@H](Br)CC[C@]2(C)[C@@H]1CC[C@@]13C(=O)[C@H]4[C@H](C[C@H]12)[C@]4(C)C3=O	101079006	NLRNRPHWVNWXFE-WSVJIQKKSA-N	363.295	3.927	50	1	FHGF	
O=C(N/N=C/c1ccc(Cl)cc1O)c1ccc(Br)cc1	49068535	PQYMJUURHWFGHP-CAOOACKPSA-N	353.603	3.572	50	1	FHGF	
Cc1ccsc1C=NNC(=O)c1cc(Cl)ccc1C(=O)NC(C)C	472791567	CNUOYEODPDTWPP-UHFFFAOYSA-N	363.870	3.612	50	1	FHGF	
C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C(=O)O)C(C=O)=CCC[C@@H]21)CC(=O)O	13402963	VDSOVKJAGXHVPE-KIJMYCCXSA-N	350.455	3.920	50	1	FHGF	
COc1cc2c3c(c1)O[C@](c1ccc(O)c(OC)c1)([C@@H](C)Cl)[C@@H](C2)C3=O	587419294	XQAQXPYRXGVSNE-SAUNLDPVSA-N	374.820	3.680	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Cl)C(=O)Nc1ccccc1)O2	587371897	HTHKBTSCFGYJAF-HKUYNNGSSA-N	358.825	3.547	50	1	FHGF	
C[C@@]12CCCC(/C=N/NC(=O)c3cccs3)=C1C(=O)O[C@H]2c1ccoc1	103289731	ABPXWTMPUZMHAC-YLGMEWQRSA-N	370.430	3.842	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccn(C)c2)N1	587686239	SXIMUSQTKZGGNJ-QLJPJBMISA-N	371.681	3.943	50	1	FHGF	
Cc1ccccc1-c1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1	209735382	KZOLDOJCWPFTDL-PXLXIMEGSA-N	367.449	3.568	50	1	FHGF	
Nc1ccc([S@@](=O)c2ccc(N(CCCl)CCCl)cc2)cc1	27415022	OYLHJJBKMNGFMY-QFIPXVFZSA-N	357.306	3.720	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(O)c1)O2	587374251	OTSFFOGINWXDFF-KRWDZBQOSA-N	362.223	3.538	50	1	FHGF	
CC=CCCC(=O)O[C@@H]1C=CC2=CC(=O)[C@H](C(C=O)=COC)C[C@]2(C)[C@@H]1C	2356328508	WQQJVNUUYPMYIA-SNDIGXPUSA-N	372.461	3.711	50	1	FHGF	
CN(C)CCSSCCN(C)C(=O)CCc1ccc(Cl)cc1	618010007	NPOMHGGDWONEND-UHFFFAOYSA-N	360.976	3.674	50	1	FHGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]1C(C=O)=C[C@H]1C[C@@H](C)C[C@H]12	2356593088	WVNNFGAKOWXLST-UHHMXVDKSA-N	370.445	3.759	50	1	FHGF	
COC(=O)/C1=C\[C@@H]2[C@H](C[C@]3(C)O[C@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)OO	238785264	WZTKVYVFHGGSSD-CLADYZJASA-N	364.482	3.974	50	1	FHGF	
C=C1[C@@H](Br)CC[C@]2(C)[C@@H]1CC[C@@]13C(=O)[C@@H]4[C@H](C[C@H]12)[C@]4(C)C3=O	101079004	NLRNRPHWVNWXFE-KRODIEALSA-N	363.295	3.927	50	1	FHGF	
Cc1ccc2c(c1)N=C(N1CC[N+](C)([O-])CC1)c1ccccc1/C2=C/C#N	101226213	WMEMUSGFINGEDO-NVMNQCDNSA-N	358.445	3.602	50	1	FHGF	
Cc1c(O)[nH]c2ccc([C@@]3(CCl)NCCc4c(C(=O)O)cccc43)cc12	963128485	APJYXESCWHUZBU-HXUWFJFHSA-N	370.836	3.508	50	1	FHGF	
Cc1cc2oc(=O)cc(CC(=O)N/N=C/c3ccccc3Cl)c2cc1C	40917402	SYWHIQAJEXLASM-SSDVNMTOSA-N	368.820	3.756	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@H](C#N)[C@@H]1c1ccc(F)cc1Cl	169723631	STCGVXGUSGZYKZ-FZMZJTMJSA-N	355.196	3.843	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ncc(Cl)cc1F)[C@@H](C2)C3=O	587425560	DYSUCLSOJGPSCO-APPDUMDISA-N	368.191	3.764	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3	100841367	HBICENKVYWSSQP-KJCFRMDSSA-N	366.376	3.773	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CBr)(C1CCCC1)[C@@H](C2)C3=O	587412882	KBAOJLLXSWLPLV-SUMWQHHRSA-N	351.240	3.767	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)COC4)[C@@H](C2)C3=O	587417720	PFJAJDDARGJPJJ-JXFKEZNVSA-N	356.805	3.607	50	1	FHGF	
Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)o1	95808883	OAUMRQNXFYXTLQ-KGENOOAVSA-N	371.437	3.723	50	1	FHGF	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)OC(F)(F)O2)c1ccccc1	73157067	KRWVUCDQEUQFAT-DGGAMASNSA-N	356.328	3.792	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)CCCl)cc1	587917834	UOINADKGSZBVEI-UHFFFAOYSA-N	369.269	3.761	50	1	FHGF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCBr	27198512	VYOIIOVHKBUVDD-UHFFFAOYSA-N	368.230	3.998	50	1	FHGF	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C\[C@](C)(OO)CC/C=C(\CC1)C(=O)O2	169337092	MTLYMLXKPBANDE-JTKLSXLWSA-N	350.455	3.940	50	1	FHGF	
Cc1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1	587009855	WDEOTGFNMSBGPF-SFHVURJKSA-N	366.852	3.991	50	1	FHGF	
CN1CCc2c(Br)cccc2[C@@]1(CCl)c1ccc(F)cn1	963282224	XBWQLCIWDNADNS-INIZCTEOSA-N	369.665	3.954	50	1	FHGF	
COC(=O)[C@@H](C)[C@@H]1CC[C@](C)(CCC(=O)C(C)(C)CCCC(C)=O)OO1	49881639	OQQQVWCMVDRPGR-TWOQFEAHSA-N	370.486	3.800	50	1	FHGF	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C/[C@](C)(OO)CC/C=C(/CC1)C(=O)O2	195395884	MTLYMLXKPBANDE-RHKZCJNQSA-N	350.455	3.940	50	1	FHGF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(C(N)=O)oc2C)N1	962952784	VVUWCDCXSXXQRV-ODXCJYRJSA-N	371.868	3.575	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]23OO4	169341099	NEGWVKPKTURHQB-ZNWUBMMZSA-N	358.434	3.762	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCOCC1	587545223	QDJWSHRIEFESGP-YLJYHZDGSA-N	374.820	3.758	50	1	FHGF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCl)(c2ccc(F)c(Cl)c2)N1	962916372	CZXXOBBNGGQROL-WMLDXEAASA-N	372.198	3.700	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(CCSC(C)=O)CC2=O	587493152	QWJKRXANCQVWSH-KRWDZBQOSA-N	356.871	3.957	50	1	FHGF	
O=C1C[C@](CBr)(c2ccncn2)Oc2c1ccc1c2CCCC1	587498871	JQNHJRPRKUGWNA-SFHVURJKSA-N	373.250	3.611	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(Br)C2	587545008	PYKIGKVLUIEUJM-FBUIMKQZSA-N	361.191	3.650	50	1	FHGF	
CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1F	72175773	IFVIIRWOPWFIRN-ISLYRVAYSA-N	365.252	3.833	50	1	FHGF	
O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)ccc21	586907520	MJIXOAOJMWXZIJ-UHFFFAOYSA-N	350.227	3.698	50	1	FHGF	
CN1CCc2c(Br)cccc2[C@@]1(CCl)c1ccccn1	963280620	OCHCHGQWVQLANX-INIZCTEOSA-N	351.675	3.814	50	1	FHGF	
CN(C)NC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C	34136394	FMHVCEVHTFFJDV-AGRFSFNASA-N	358.482	3.820	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CC)([C@@H](Cl)C(=O)OCC)CC2=O	587458240	IEIZVAZJSBSGFU-WMZOPIPTSA-N	354.830	3.629	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586970286	CUBUZNUNSMWJKV-JTQLQIEISA-N	362.611	3.986	50	1	FHGF	
COc1ccc(C(=NNC(=O)c2ccccc2)c2ccc(OC)cc2)cc1	68581991	NCCKGLURTYVLNF-UHFFFAOYSA-N	360.413	3.886	50	1	FHGF	biogenic
COc1cc([C@H]2OC(N)=C(C#N)C3=C2[C@H](C)CCC3)cc(OC)c1OC	1652456	SUVJNRIDMSOZQY-ADLMAVQZSA-N	356.422	3.594	50	1	FHGF	
Cc1ccsc1/C=N/NC(=O)c1cc(Cl)ccc1C(=O)NC(C)C	103204027	CNUOYEODPDTWPP-DJKKODMXSA-N	363.870	3.612	50	1	FHGF	
CCOC(=O)Cc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1	587086633	FTYXTXFFHJOOPI-CYBMUJFWSA-N	357.223	3.853	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(CCc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43397123	COPFMDWZDDWXEP-UHNHAYRVSA-N	371.477	3.677	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccccn1	587545981	ULUYQPZUYURZCG-XLIONFOSSA-N	367.788	3.883	50	1	FHGF	
Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)on1	587684020	JLYYAGGREOHIIZ-ANRSDYALSA-N	373.653	3.901	50	1	FHGF	
CC(C)(C)[Si](C)(C)OC[C@H]1[C@H]2[C@@H]3C[C@H]1/C(=N\NC(=O)c1ccncc1)[C@H]32	1857615667	XPZVSDKNQZMDAQ-SZLPCUDASA-N	371.557	3.701	50	1	FHGF	
C[C@H](Br)c1nc2cccc(I)c2[nH]1	587008744	NWTXGSBWVHUPHJ-YFKPBYRVSA-N	350.985	3.623	50	1	FHGF	
Cc1cc2c(cc1O)[C@@](CCl)(c1ccc(C(C)C)cc1)N[C@H](C(=O)O)C2	963492696	STKPIODPRXWSPC-GHTZIAJQSA-N	373.880	3.905	50	1	FHGF	
Cc1cccc2[nH]cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)c12	962897652	LCUOVUBDAIAECE-JXFKEZNVSA-N	372.827	3.697	50	1	FHGF	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1c(Cl)cncc1Cl	201287084	YUMGAMVDHWFXAZ-DENHBWNVSA-N	357.628	3.604	50	1	FHGF	
O=C(CBr)NCCc1c(-c2ccccc2)[nH]c2ccccc12	13740898	VZWDQDXGGFSKGS-UHFFFAOYSA-N	357.251	3.889	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@H](Br)[C@H](CC)O1	2356618553	ZFYWONYUPVGTQJ-QAETUUGQSA-N	355.272	3.775	50	1	FHGF	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C\[C@](C)(OO)CC/C=C(/CC1)C(=O)O2	138775677	MTLYMLXKPBANDE-MRQGVMPXSA-N	350.455	3.940	50	1	FHGF	
NNC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587050109	OOKONSQEJZBHTJ-VHSXEESVSA-N	361.232	3.744	50	1	FHGF	
O=C(NN/C=C1/C=CC=N1)c1ccc(COc2cccc3cccnc23)cc1	15953176	IMILONLNMIZUBQ-RGEXLXHISA-N	370.412	3.530	50	3	FHGF	
C[C@H](Cl)C(=O)NCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587102076	OYAXVXKVLMVPBS-NSHDSACASA-N	350.805	3.690	50	1	FHGF	
CCc1nn(C)c(C(=O)N[C@@H](CCl)c2ccc(Cl)cc2)c1Cl	103170586	DTFHVJFJFXUGSX-LBPRGKRZSA-N	360.672	3.999	50	1	FHGF	
Cc1ccc(S(=O)(=O)N2CC[C@@H](Cl)C[C@@H]2Cc2ccccc2)cc1	28704304	VCXDONPFJSSBIV-MSOLQXFVSA-N	363.910	3.998	50	1	FHGF	
CCCNc1nc(N(C)C)nc2c1cnn2C[C@H](Cl)c1ccccc1	40915422	ORSJMRYJQKLLEC-HNNXBMFYSA-N	358.877	3.694	50	1	FHGF	
COc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	587373751	SAHYBSPLUOZCKE-IBGZPJMESA-N	361.825	3.694	50	1	FHGF	
COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C2	3964628	MGSHDHPTWIYEQZ-IBGZPJMESA-N	353.374	3.762	50	1	FHGF	
C/C=C1/C[N+]2(CCl)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccccc12	238751609	UIEKHYIYGGOXQK-KIUKWZJFSA-N	357.905	3.746	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	586971668	WDQSPGHPUWHYLA-SNVBAGLBSA-N	355.129	3.980	50	1	FHGF	
O=C1Cc2nnc(CCl)n2-c2ccc(Cl)cc2N1c1ccccc1	39193616	PFLBLLLBZVXXKV-UHFFFAOYSA-N	359.216	3.880	50	1	FHGF	
CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1Cl	587550323	UTXNJVMNRPDFEN-WTLGNFPFSA-N	360.793	3.509	50	1	FHGF	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Br)[C@@H]2O	25964293	ICCJJRSEGGYXMX-ZMSHIADSSA-N	351.284	3.983	50	1	FHGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccn4)[C@@]13OO2	100036625	GCBSDWINMZDELA-XIHRTOKZSA-N	363.454	3.604	50	1	FHGF	
O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@@H]3CCl)cccc21	40828317	CNGSOQBKXOJZSZ-CQSZACIVSA-N	368.864	3.577	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@@H](Cl)C2	2356401550	IWLYVKVOGXYQCU-JVSQWTDWSA-N	351.712	3.626	50	1	FHGF	
CC(=O)OC[C@@H]1[C@@]2(C)CC[C@H](Br)C(C)(C)[C@@H]2CC[C@@]1(C)O	95605628	OKRJLDBBFQVPRV-SSRUIJIPSA-N	361.320	3.917	50	1	FHGF	
BrCc1nc2c(Br)ccc(Br)c2[nH]1	586971807	ZFWLOPYRVSIHBJ-UHFFFAOYSA-N	368.854	3.983	50	1	FHGF	
COc1cc2c(cc1OC)[C@]1(C[C@H](OC(C)(C)C)[C@H]1Cl)N(C)[C@H](C)C2	962628220	HBEIWMDDDACDRW-SUYCEMCWSA-N	367.917	3.970	50	1	FHGF	
COC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC1CC1	13675409	QPNRQPDROCNGIE-MRXNPFEDSA-N	370.840	3.772	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc(Br)ncc2[nH]1	586971272	QBLHYCZIDLOTLF-VIFPVBQESA-N	363.053	3.581	50	1	FHGF	
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	169336541	NGBAMPCYBVKNGN-UHFFFAOYSA-N	356.212	3.741	50	1	FHGF	
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2cccnc2)n1	13647743	DAWPHNTYTPLANE-NBVRZTHBSA-N	358.430	3.894	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccn2C)N1	587682417	CCKHXNSHSZDLGZ-MGPLVRAMSA-N	371.681	3.943	50	1	FHGF	
Cc1c(C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)ccc2c1C[C@H](C)O2	103205492	ROIOXYBSWGBGRF-AWEZNQCLSA-N	366.461	3.904	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccn2)c1	38145366	PTMOGCQRNMENQM-DXAMHKDYSA-N	374.469	3.689	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@@](C)(Br)[C@H](Cl)C1	215119761	KCTBLUZWVXTOET-TUVASFSCSA-N	351.712	3.936	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)cc(O)n3C)O2	587373117	PUDZLOUOSPSTJY-FQEVSTJZSA-N	370.836	3.874	50	1	FHGF	
CNc1cccc(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)c1	587233161	JQFOBBRQSRPMQA-UHFFFAOYSA-N	357.417	3.542	50	1	FHGF	
CC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=C[C@@H](OC(=O)C=Cc3ccccc3)[C@H]12	2356324926	MBSDPPCRLFNZBS-LPOZWGFCSA-N	368.473	3.944	50	1	FHGF	
COc1ccc(Cl)c2c1CCN[C@H]2c1c(C)nn(CCCl)c1C	963256864	GFZHYMXLMQXWNI-KRWDZBQOSA-N	354.281	3.636	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc3c(c1)OCCO3)O2	587377573	WZAJAJIDGACDND-HXUWFJFHSA-N	373.836	3.838	50	1	FHGF	
O=C1C[C@@]2(CCC[C@H](Br)C2=O)Oc2c1ccc1c2CCCC1	587499651	UFFRBJIZDIRPFC-KBXCAEBGSA-N	363.251	3.786	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC=CCC)C[C@H]1OC(C)=O	2356431062	BUFQJMZKMZGEFE-LTIDMASMSA-N	355.272	3.775	50	1	FHGF	
O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCCl	27185202	QTEJRWOMCQIKFH-UHFFFAOYSA-N	368.776	3.750	50	1	FHGF	
CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C(Cl)Cl	49761945	MJMIPFKUPJCIQF-UHFFFAOYSA-N	360.672	3.952	50	1	FHGF	
COc1cc2c(cc1OC)[C@]1(C[C@H](OC(C)(C)C)[C@@H]1Cl)N(C)[C@@H](C)C2	962628216	HBEIWMDDDACDRW-DHLMPNOKSA-N	367.917	3.970	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2cc(Br)cnc2[nH]1	587087690	SQBFQWBLYNTQNB-ZETCQYMHSA-N	351.017	3.905	50	1	FHGF	
COc1ccc(/C=N/NC(=O)c2ccco2)cc1COc1ccc(F)cc1	676054	DJUNVVHSZCPLCC-WSDLNYQXSA-N	368.364	3.770	50	3	FHGF	
CCS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1	587188761	WFTXHXSWZSRRCW-GDNBJRDFSA-N	351.431	3.729	50	1	FHGF	
NNC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1	587955527	MIXVASUFUCGPHV-SFHVURJKSA-N	356.429	3.541	50	1	FHGF	
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(N)=O	2356699147	FROMEQXJVLQDFU-FLTUCWPJSA-N	359.583	3.818	50	1	FHGF	
COC(=O)CCCCCCC(=O)N/N=C/c1ccc(O)c2ccccc12	95808679	FYLXNCNOZLYUDZ-KGENOOAVSA-N	356.422	3.509	50	1	FHGF	
O=C(OCCN(CCCl)CCCl)C1=CN(c2ccccc2)C=CC1	103153410	ROIVZIXBFYSVFW-UHFFFAOYSA-N	369.292	3.617	50	1	FHGF	
ClCN1C=Cc2cc3c(cc2C2=C1[C]1C(=C2)C=CC2=C1OCO2)OCO3	2356824393	GNRORDFWDJDOPJ-UHFFFAOYSA-N	366.780	3.909	50	1	FHGF	
CC(C)(c1ccc(S(=O)(=O)/C=C/C#N)cc1)c1nc2ccccc2o1	147522888	IGAKMSCIGJRCNO-WLRTZDKTSA-N	352.415	3.965	50	1	FHGF	
ClC[C@@]1(c2ncco2)NC2(CC2)Cc2ccc(Br)cc21	961326799	RTEGRHKFMHBOSJ-OAHLLOKOSA-N	353.647	3.598	50	1	FHGF	
CC(C)(O)[C@]12C=C3CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(CC1)OO2	2356593283	FPDDUPUDFYVZHW-PBOLBBRVSA-N	350.455	3.608	50	1	FHGF	
CCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12	40428744	WDAPYQOIWAHTIJ-OBGWFSINSA-N	366.509	3.725	50	1	FHGF	
C[C@H]1CC[C@]2(C)[C@@]3(O)C[C@H](Br)[C@@](C)(Cl)C[C@H]3O[C@]12C	137158233	YGGZBLBKCSRZKV-NNWKIESISA-N	351.712	3.866	50	1	FHGF	
C[C@H](C(=O)NNC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1	84604000	HONYQNRAZMBRRZ-HNNXBMFYSA-N	367.449	3.855	50	1	FHGF	
Cc1c(Br)cc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1C	587007978	KBRHWEJZCBHRDA-UHFFFAOYSA-N	358.667	3.532	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(CCc3ccccc3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	101276840	COPFMDWZDDWXEP-WFBMNYBESA-N	371.477	3.677	50	1	FHGF	
CC(C)[C@@]12C=C[C@](C)(O)CC=C[C@](C)(OO)CCC=C(CC1)C(=O)O2	2356382750	MTLYMLXKPBANDE-AQNXPRMDSA-N	350.455	3.940	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(C#N)c1)O2	587374110	OEYCKBHDRCCZEZ-SFHVURJKSA-N	371.234	3.705	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)ncc2[nH]1	586970850	KIJBCPQPLOSVGJ-VIFPVBQESA-N	352.154	3.838	50	1	FHGF	
CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@H]2C[Si](C)(C)C	195135959	OWRZJKGNIFIYSX-COZGXFGHSA-N	358.551	3.549	50	1	FHGF	
C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C\c1ccncc1	103172798	XQMHNDGXHNRVJJ-OSALFXOTSA-N	372.639	3.959	50	1	FHGF	
C=C[C@@H]1[C@H](Cl)C[C@H]2C(=O)[C@@]1(N=C)c1cccc3c1[C@@H](C(=O)N3)C2(C)C	2356864036	UUFVIJICPAQYJA-IRJQXAEMSA-N	356.853	3.657	50	1	FHGF	
CCN(CC)c1ccc(NC(=O)NCCSSCCN(C)C)cc1	618008100	YSUHVLGFENRCBN-UHFFFAOYSA-N	370.588	3.597	50	1	FHGF	
C[C@@]12CCC[C@@](C)(C=O)[C@H]1CC[C@]13C[C@@](O)(CCl)[C@](O)(CC[C@H]12)C3	166743255	DTMIPKXLCMUODX-KOGWCRERSA-N	354.918	3.683	50	1	FHGF	
CN(C)CCSSCCCNC(=O)c1ccc(C(F)(F)F)cc1	618012672	WAXZFEXSDLETHD-UHFFFAOYSA-N	366.474	3.768	50	1	FHGF	
Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N=C=O	587880837	DVYHHDDOFPPOEL-UHFFFAOYSA-N	373.239	3.980	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc[nH]1	587541919	DTLQGKHTIKJCBL-VQIMIIECSA-N	355.777	3.816	50	1	FHGF	
c1coc(P(CCP(c2ccco2)c2ccco2)c2ccco2)c1	43781164	MHNOPDUTHHVVKL-UHFFFAOYSA-N	358.270	3.624	50	1	FHGF	
N#C/C(=C(\S)Nc1ccccc1)c1nnc(NC(=O)c2ccccc2)o1	73220773	DKBHAKBWXPFOCZ-SAPNQHFASA-N	363.402	3.556	50	1	FHGF	
O=C(N/N=C/c1ccccc1O)c1nc2ccccc2nc1-c1ccccc1	40897582	KDSQOGCANLGFPW-OEAKJJBVSA-N	368.396	3.766	50	1	FHGF	
CC(C)(O)[C@]12C=C3CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2	2356593284	FPDDUPUDFYVZHW-RBUQIHAASA-N	350.455	3.608	50	1	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CC=C2C(C)(C)CCC[C@@]2(C)O)OO1	2356808259	YPJYPALXYRADAE-VVVONTASSA-N	354.487	3.942	50	1	FHGF	
CCCCC[C@H](C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O)OO	2356853480	RGQICUMNQVAHES-VXNCWWDNSA-N	368.470	3.748	50	1	FHGF	
O=C(Oc1ccccc1)N(NS(=O)(=O)c1ccccc1)c1ccccc1	95562671	ANNUUTMNLXJMLV-UHFFFAOYSA-N	368.414	3.586	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1cc2c(c(OC)c1)OCC(C=O)=C2	587907050	COTBZLLTEKJVGY-UHFFFAOYSA-N	354.789	3.732	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc[nH]2)N1	587686245	SXWBDDZOBPTLJW-PSLIRLAXSA-N	357.654	3.933	50	1	FHGF	
CSc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1	201289068	RPBKUXXUYPWIPS-CGOBSMCZSA-N	369.277	3.673	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@@H](Br)[C@H](CC)O1	2356618554	ZFYWONYUPVGTQJ-QZWWFDLISA-N	355.272	3.775	50	1	FHGF	
O=C(N/N=C/C=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1	2382224436	FPCNFNBAOYQQQR-LIJKSJPWSA-N	352.781	3.819	50	1	FHGF	
C[C@@]1(CCCCCl)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962642371	ZGOBYAPILBBRHB-NHYWBVRUSA-N	365.779	3.808	50	1	FHGF	
CC[C@@H]1[C@H]2CC[N+]3(CCl)CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13	238736796	ZBCMNADOWLNVRE-BOEZXZGXSA-O	373.904	3.622	50	1	FHGF	
COC(C)(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587545633	RVCJIUQDYIFMSZ-KXBFYZLASA-N	362.809	3.756	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(F)c1)O2	587384921	PPFGOCUETGMKMH-QGZVFWFLSA-N	364.214	3.972	50	1	FHGF	
CCC[C@H](C=O)CCCCC[C@]1(OC)C[C@@H](C)[C@H](CC(=O)OC)OO1	2356540223	QQYFKIURAPUULW-VUHPKUFZSA-N	358.475	3.815	50	1	FHGF	
C=C(c1ccc(OC)cc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1	43523663	AHMQKHQAKMQCMW-YMBRHYMPSA-N	374.433	3.815	50	1	FHGF	
O=C1Oc2ccc([N+](=O)[O-])cc2N/C1=C\C(=O)c1cccc2ccccc12	1857642189	BQTQABXDLCAFMT-BOPFTXTBSA-N	360.325	3.846	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)CCl)c1C)O2	587370748	BMWSJYJGBCNRSW-IBGZPJMESA-N	360.841	3.824	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCCl	587544946	PSLUXRLWYLHSKO-RHSMWYFYSA-N	353.201	3.960	50	1	FHGF	
N=C(CCl)NCCCc1cn(-c2cccc(-c3ccccc3)c2)nn1	1857597035	KKRHFNFLOSUOPU-UHFFFAOYSA-N	353.857	3.673	50	1	FHGF	
CO[C@H]1O[C@]2(c3ccc(COC(C)=O)cc3)CC[C@H]3CCCC[C@@]13OO2	100992646	FGFMXJTULHPRPY-BTHPGYMESA-N	362.422	3.576	50	1	FHGF	
CN(C)CCSSCCNC(=O)Cc1ccc(Cl)c(Cl)c1	618008356	YVBRTLKAYWLLIA-UHFFFAOYSA-N	367.367	3.595	50	1	FHGF	
COc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2c(F)cccc2C[C@H]2CCCN21	963104638	LYLOCNQSFORJCO-ZHRRBRCNSA-N	365.404	3.574	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cocn2)N1	587684772	MIFKZGUODRUFLE-CLAHSXSESA-N	359.626	3.593	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC=C(C)C[C@H]2OC(C)=O	13379287	RSUGPKKDHKKQLW-QSJFSLAZSA-N	357.288	3.755	50	1	FHGF	biogenic
CCNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3	621432783	YOSPOSXJAJOVEB-OPTDUQHJSA-N	351.443	3.502	50	1	FHGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccn4)[C@]13OO2	100036622	GCBSDWINMZDELA-QVHQYWGISA-N	363.454	3.604	50	1	FHGF	
Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](Cl)[C@@H]21	2356835911	KVKPUNTZFLWTSM-OVCSSCHWSA-N	361.869	3.562	50	1	FHGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1	13586152	YTLTUEVYTYYFNW-QGZVFWFLSA-N	370.250	3.733	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@](C)(Cl)[C@H](Br)C1	2356488919	DCHVPEBIMVAEJJ-KBXIAJHMSA-N	351.712	3.936	50	1	FHGF	
C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@H](Br)[C@@H](CC)O1	2356618555	ZFYWONYUPVGTQJ-YVSFHVDLSA-N	355.272	3.775	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3[nH]c(O)cc3c1)O2	587371937	IHVZVSCSYYVNDJ-IBGZPJMESA-N	356.809	3.864	50	1	FHGF	
COC(=O)/C1=C/[C@@H]2[C@H](C[C@]3(C)O[C@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)OO	207150734	WZTKVYVFHGGSSD-RCSPOLSTSA-N	364.482	3.974	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2c(Br)ccnc2[nH]1	587086602	FBEQVHYRJWDTBN-SSDOTTSWSA-N	351.017	3.905	50	1	FHGF	
CC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=C[C@@H](OC(=O)C=Cc3ccccc3)[C@@H]12	2356324929	MBSDPPCRLFNZBS-RJSMDTJLSA-N	368.473	3.944	50	1	FHGF	
CC(C)c1nn(C)c2c1[C@@](CCCl)(c1ccc(F)cc1F)NCC2	962925594	ZXVCPFXFQDZCET-GOSISDBHSA-N	353.844	3.840	50	1	FHGF	
CC=C(C=O)[C@@H]1C[C@@H]2c3c(c4cc(O)ccc4n3[C@H](OC)C1)CCN2C	2356602739	KQIJOWWBWNZTPC-JSNMRZPZSA-N	354.450	3.576	50	1	FHGF	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Oc1ccccc1	299859953	IQCPNXMXSYXVQJ-XDHOZWIPSA-N	351.318	3.744	50	1	FHGF	
C=C/[N+]([O-])=N/CCCCCCCCn1cc(CCBr)nn1	1857552413	UPSLKRMHKFXLQL-SILNSSARSA-N	358.284	3.662	50	1	FHGF	
C=C(C(=O)OCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	73294721	IUCROGWWIDLFII-GDLCADMTSA-N	355.272	3.822	50	1	FHGF	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	1911583534	LAMJXOFHPBRJAL-OEAKJJBVSA-N	370.412	3.906	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2ccc(OCc3ccccc3)cc2[nH]1	587009370	BZCCTGMXNPRINN-UHFFFAOYSA-N	357.841	3.732	50	1	FHGF	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])c(Cl)c1	1772609842	DQNQYNSKEXTILY-KEBDBYFISA-N	369.764	3.871	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc[nH]2)N1	587686248	SXWBDDZOBPTLJW-RFAUZJTJSA-N	357.654	3.933	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Cl)C(=O)Nc1ccccc1)O2	587371905	HTHKBTSCFGYJAF-MJGOQNOKSA-N	358.825	3.547	50	1	FHGF	
COc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1	5582291	HISGMJJXXLWVIF-GFCCVEGCSA-N	355.825	3.742	50	1	FHGF	
O=C1C=CC(=CNNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C=C1	13125692	LHSXLKCRRGXGQD-UHFFFAOYSA-N	367.408	3.715	50	3	FHGF	
COC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1O	95808683	BEDVPVHEUWQJQH-KGENOOAVSA-N	356.422	3.509	50	1	FHGF	
CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)C[C@]2(OC)CC[C@H]3O)C(C=O)=C[C@H]1C=C(C)C	238776583	FZXYEBOZWVGXJG-BWQBCRQUSA-N	362.510	3.685	50	1	FHGF	
CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1ccc(Cl)cc1	1772639794	CFKYSAXQFREBPP-IQUSIQNSSA-N	352.821	3.845	50	1	FHGF	
CCOC(=O)c1ccccc1SSc1n[nH]c(-c2ccncc2)n1	103209943	RPPWSCUODOMHOR-UHFFFAOYSA-N	358.448	3.843	50	1	FHGF	
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CCC(C)C	1857593549	KDRHULRYNWCJIH-KEBDBYFISA-N	363.845	3.884	50	1	FHGF	
NC(=O)N/N=C/c1ccc(Sc2ccc(Br)cc2)cc1	27323368	KITYRHYSAFLDAL-RQZCQDPDSA-N	350.241	3.603	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O	587425259	AUDPJNJAEDTMLB-ORAYPTAESA-N	362.784	3.725	50	1	FHGF	
COc1cc(C(=O)N/N=C/c2cc3ccccc3s2)cc(OC)c1OC	1857768523	FKPVRPOHDBKFPN-RGVLZGJSSA-N	370.430	3.691	50	1	FHGF	
Cc1ccc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)s1	963217994	FKWIQJKLQVIVJL-APWZRJJASA-N	372.877	3.686	50	1	FHGF	
CC(=N)/C(C#N)=C(\O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	102752490	HNJHEQAKBNPFPR-HGNLQUEKSA-N	355.369	3.765	50	1	FHGF	
N#C/C(=C\c1ccccc1I)n1nnc2ccccc21	34112485	PNYNFYZRODLTNJ-FMIVXFBMSA-N	372.169	3.558	50	1	FHGF	
O=C1C[C@](CBr)(c2cncnc2)Oc2c1ccc1c2CCCC1	587497328	CAUOCUDNMAMCMI-SFHVURJKSA-N	373.250	3.611	50	1	FHGF	
NNC(=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1	587145053	GWNYAWHDFBAMQX-UHFFFAOYSA-N	364.355	3.779	50	1	FHGF	
CCOC(=O)c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12	587621141	PRNQRVFYZVIUJU-UHFFFAOYSA-N	356.607	3.722	50	1	FHGF	
CN(C)C(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587102866	ZWVIXNRRELGPES-GOSISDBHSA-N	350.805	3.814	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](Cc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	43888373	XNRRDQOQHVJHLV-VXYMSJSSSA-N	358.434	3.618	50	1	FHGF	
CCO/C=C(\C#N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587732369	LKOUSFHHFRYBOM-INWMDPRLSA-N	353.235	3.782	50	1	FHGF	
CCn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2ccccc21	101635514	JVGSAZDXMQMVMJ-QOCHGBHMSA-N	355.507	3.871	50	1	FHGF	
C=C[C@@]1(C)[C@@H](NC)[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@@H]2C[C@H]1Cl	2356834515	KBVDCYGEVOQIMT-RONSJCHFSA-N	374.912	3.753	50	1	FHGF	
COc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)C[C@H](Cl)C[C@H](C)OC2=O	66075880	BECOBHILFUXGOG-GNGAWQMMSA-N	368.857	3.892	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(O)c(C)c1)[C@@H](C2)C3=O	587416680	BYSBLZZTZPMQDO-MGPUTAFESA-N	358.821	3.899	50	1	FHGF	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNCc1ccc(F)cc1	299855544	FUEUUEQYSFCRBS-SNVBAGLBSA-N	357.212	3.721	50	1	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(C=CC(=O)C(C)(C)CCCC(C)=O)OO1	2356793457	HFYOIPHYKALCPH-GUXCAODWSA-N	368.470	3.576	50	1	FHGF	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C(C)=C(\C)C#N)c1	33505333	CZPAOGQLGKQSNX-BUHFOSPRSA-N	363.461	3.860	50	1	FHGF	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3cccc(O)c3)o2)C1	95582220	FOWSCTGMBSCTDB-IQQDNESTSA-N	367.409	3.852	50	1	FHGF	
Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1	587387202	ODHIDONTFCMIQI-BRBKRDGESA-N	361.445	3.715	50	1	FHGF	
C[C@]1(c2ccc(CBr)cc2)NCCc2c(C(=O)O)cccc21	963124340	PLHORRLEWRNJAW-GOSISDBHSA-N	360.251	3.689	50	1	FHGF	
CCOc1ccc(/C=N/NC(=O)c2cnc3ccccc3c2)cc1OCC	1857640402	WDSFMOXWIFYZET-YDZHTSKRSA-N	363.417	3.796	50	1	FHGF	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1	66074029	FJHXWMPCPRKKLI-BKUYFWCQSA-N	362.345	3.546	50	1	FHGF	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	4212553	RNSISAJHBSCDGC-SCUQKFFVSA-N	362.897	3.832	50	1	FHGF	biogenic,in-man
C#C/C=C/C[C@H]1O[C@@H]([C@H](Br)C/C=C/CC)C[C@H]1OC(C)=O	136088157	BUFQJMZKMZGEFE-JSRZMHNBSA-N	355.272	3.775	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc[nH]2)N1	587682411	CBUKREHPOTTXAT-VFZGTOFNSA-N	357.654	3.933	50	1	FHGF	
CC=C1C[N@+]2(CCl)[C@H]3C[C@H]1[C@@H](CO)[C@H]2Cc1c3n(C)c2ccccc12	2356359856	UIEKHYIYGGOXQK-WAHPLXOWSA-N	357.905	3.746	50	1	FHGF	
NNC(=O)[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12	28765775	CHWRKICHTXGKDX-GOSISDBHSA-N	373.378	3.679	50	1	FHGF	
COc1cc([C@@H]2OC(N)=C(C#N)C3=C2[C@H](C)CCC3)cc(OC)c1OC	1652458	SUVJNRIDMSOZQY-ZMZPIMSZSA-N	356.422	3.594	50	1	FHGF	
CC=CCCC(=O)O[C@@H]1C=CC2=CC(=O)[C@H](C(C=O)=COC)C[C@]2(C)[C@H]1C	2356328505	WQQJVNUUYPMYIA-FZDNCAFZSA-N	372.461	3.711	50	1	FHGF	
Cc1ccc(Oc2cccc(NCC(=O)N/N=C/c3ccncc3)c2)cc1	201289726	OCOFWWRLWULHEU-ZVHZXABRSA-N	360.417	3.745	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C#N)cc1)O2	587370794	BUORXJFTPRSPJL-SFHVURJKSA-N	371.234	3.705	50	1	FHGF	
Cc1cc(CN(C(=O)CCl)c2nc(-c3ccccc3O)cs2)on1	1857563104	FCWQIJGQLFKUDK-UHFFFAOYSA-N	363.826	3.584	50	1	FHGF	
CCCC[C@@H](/C=N\NC(=O)N1CCc2ccccc21)NC(=O)OC(C)(C)C	37858421	XFJFXJUUFGRLHF-AKGOGDBKSA-N	374.485	3.828	50	1	FHGF	
COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(O)c3ncccc23)cc1	49089641	AZWIYXDHKVQUIN-SJLPKXTDSA-N	354.793	3.644	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C)o1)[C@@H](C2)C3=O	587412208	IAGCUGAGXDDQJC-SJCJKPOMSA-N	363.207	3.634	50	1	FHGF	
O=C(Oc1ccc(Cl)cn1)c1cc2cc(CCl)ccc2oc1=O	27418963	TYCHPGWCWMOCKI-UHFFFAOYSA-N	350.157	3.799	50	1	FHGF	
O=C(CCl)N[C@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2	587209040	GTGNDIZTDOCNNH-GOSISDBHSA-N	350.849	3.972	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1Cl	587707699	WJKDJHFVCRVSEE-MHCQWLSPSA-N	362.670	3.734	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ncccc13)([C@H](C)Cl)O2	587371603	HAGPPQRAZNIROX-WLRWDXFRSA-N	355.825	3.942	50	1	FHGF	
Cn1c2ccccc2c2cc(/C=N\NC(=O)c3cc(O)ccc3O)ccc21	60311515	VOOKNWMKFQGFDK-UUYOSTAYSA-N	359.385	3.507	50	1	FHGF	
COc1cccc([C@H]2C(C#N)=C(N)S[C@@H](c3ccccc3)[C@@H]2[N+](=O)[O-])c1	5042256	DWDZUKHJSOSLGF-KSZLIROESA-N	367.430	3.606	50	1	FHGF	
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(CO)[C@H]4CC[C@@]13C=C2C=O	2356403437	JJNDASAEWOQLIM-ONRBHHSBSA-N	360.494	3.668	50	1	FHGF	
CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@H](OC)[C@@H](O)CC	2356803856	XMNWLMUALWPSNW-CBOSDZJASA-N	372.502	3.567	50	1	FHGF	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCCl	68592260	GNWARQDHEZZKNB-UHFFFAOYSA-N	356.789	3.944	50	1	FHGF	biogenic
CCOC(=O)Cc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1	587086634	FTYXTXFFHJOOPI-ZDUSSCGKSA-N	357.223	3.853	50	1	FHGF	
COc1cc2c3c(c1)O[C@](c1ccc(O)c(OC)c1)([C@H](C)Cl)[C@@H](C2)C3=O	587419300	XQAQXPYRXGVSNE-YOKVUHJFSA-N	374.820	3.680	50	1	FHGF	
COc1cc2c(cc1OC)[C@]1(C[C@H](OC(C)(C)C)[C@@H]1Cl)N(C)[C@H](C)C2	962628223	HBEIWMDDDACDRW-UKBILQQUSA-N	367.917	3.970	50	1	FHGF	
C[C@H](Br)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587538314	PADLLATXNCLKKP-RMLVOYDJSA-N	363.207	3.896	50	1	FHGF	
O=C/C=C/c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587881964	HMERPTNOPPLETN-XVNBXDOJSA-N	372.251	3.916	50	1	FHGF	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)n1nnc2cc(C(F)(F)F)ccc21	72125805	WEZPNWUSWRQIAL-NTUHNPAUSA-N	359.267	3.880	50	1	FHGF	
CC(C)Nc1ncnc2c1cnn2C[C@@H](Br)c1ccccc1	13682932	KWMIYBNRHOLARC-CQSZACIVSA-N	360.259	3.783	50	1	FHGF	
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	169335766	OIFLNUATSOFJCW-KRWDZBQOSA-N	372.377	3.595	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccsc1)[C@@H](C2)C3=O	587453106	PQERHOHRRGWWOJ-LRDDRELGSA-N	365.248	3.795	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc(Br)cnc2[nH]1	586971841	YSMYGJZTUPERCU-QMMMGPOBSA-N	363.053	3.581	50	1	FHGF	
Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc3c2OCO3)C(C)(C)C)c1	103215911	LNWOMPGTGUMBSU-UHFFFAOYSA-N	368.433	3.618	50	1	FHGF	
COc1cccc([C@H]2C(C#N)=C(N)S[C@H](c3ccccc3)[C@H]2[N+](=O)[O-])c1	6786926	DWDZUKHJSOSLGF-OKZBNKHCSA-N	367.430	3.606	50	1	FHGF	
CCn1nc(C)c([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)n1	963110389	PLLXGXNBGMPXEF-OAHLLOKOSA-N	359.688	3.541	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCO4)[C@@H](C2)C3=O	587420789	IVNAABZSYQQBPG-YWZLYKJASA-N	356.805	3.512	50	1	FHGF	
C#C/C=C\C[C@H]1O[C@@H]([C@H](Br)C/C=C/CC)C[C@H]1OC(C)=O	166202071	BUFQJMZKMZGEFE-HKAVDVLHSA-N	355.272	3.775	50	1	FHGF	
COc1ccc(C[C@@H](C)Oc2ccc(C=CC=O)cc2OC)cc1OC	2356711230	PUDXYWKCEYLTMQ-OAHLLOKOSA-N	356.418	3.935	50	1	FHGF	
CCOc1ccc(OCc2ccc(C(=O)N/N=C\c3ccc[nH]3)cc2)cc1	73259964	MCAAVPPQIPYHLA-UCQKPKSFSA-N	363.417	3.756	50	1	FHGF	
CC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587371094	CUKVUODJCSHZBW-LJQANCHMSA-N	358.825	3.635	50	1	FHGF	
C=C(C)[C@H](C[C@H](O)/C(C)=C/COc1cc(=O)oc2cccc(C)c12)OO	238777643	NKPVHABUNKIXAV-ZJTAJZJASA-N	360.406	3.612	50	1	FHGF	
CCOc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587417738	PNMIGQQMLLQUNH-OXQOHEQNSA-N	358.821	3.976	50	1	FHGF	
COC(=O)C[C@H](C)CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C	2356628924	LCUPVVXMLBHYRG-JYTGUGRZSA-N	350.499	3.914	50	1	FHGF	
CC(=CCOc1cc(=O)oc2cccc(C)c12)[C@H](O)C=CC(C)(C)OO	2356647748	VQIKMKPDMSGMTM-OAHLLOKOSA-N	360.406	3.612	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587087844	WLZJAOQRKBBYEV-SECBINFHSA-N	361.127	3.563	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CCCl)c2)N1	587685281	PFWIQLUNAAIWEM-VFZGTOFNSA-N	372.669	3.647	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@H](Cl)C2	2356401551	IWLYVKVOGXYQCU-OEMOEHNSSA-N	351.712	3.626	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4	101288129	XDUGJINPXBRUHH-BWNCYFABSA-N	368.348	3.617	50	1	FHGF	
Clc1ncc(Br)c2nc(/C=C/CBr)[nH]c12	586972176	JRCJSBFFBQYHEH-OWOJBTEDSA-N	351.429	3.782	50	1	FHGF	
Cc1ccc2c3c(cc(CNC(=O)[C@H](C)Cl)nc13)-c1ccccc1C2=O	586992355	AHUCIVKSOAGSBU-LBPRGKRZSA-N	364.832	3.998	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2cncc(Br)c2[nH]1	587086917	IZNABUQWTMXOMF-QMMMGPOBSA-N	351.017	3.905	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(F)ccc1F)[C@@H](C2)C3=O	587423488	KVEAWOCLPVNFBS-SCLBCKFNSA-N	350.748	3.855	50	1	FHGF	
O=C(CSC1c2ccccc2-c2ccccc21)NN/C=C1\C=CC=CC1=O	13119107	LDNWEVMLXTVZNU-FYWRMAATSA-N	374.465	3.689	50	3	FHGF	
C=C(C[C@H](O)C=C(C)C)[C@@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1	36472092	GUWOIVVOEBUYQH-CBBWQLFWSA-N	351.712	3.936	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)CCl)[C@@H](C2)C3=O	587421386	LKYCEWDDUBTDSD-VBKZILBWSA-N	371.820	3.535	50	1	FHGF	
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)(C)O)[C@H](C[C@H]21)OO3	104321498	IOWHRFKVRZOMCP-DETUAXERSA-N	364.482	3.552	50	1	FHGF	
CN(C)CCSSCCN(C)C(=O)c1cc2ccccc2s1	618009396	CKGQKXFDCJAICR-UHFFFAOYSA-N	354.566	3.916	50	1	FHGF	
COc1cc(C(=O)NCCN2CCC[C@@H](Cl)C2)c2cccc(C)c2c1	28343263	YZTOPBYLRHKKNB-OAHLLOKOSA-N	360.885	3.590	50	1	FHGF	
CCOc1c(SSc2ccccn2)cnn(-c2ccccc2)c1=O	45352770	PUKSGOGPUMEEBZ-UHFFFAOYSA-N	357.460	3.826	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]13	205940222	IZEWXSNCLIVJKF-AXTVOXPPSA-N	360.494	3.668	50	1	FHGF	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@H]1c1cccs1	2500572	ROVBXPSNJAEJFL-GOSISDBHSA-N	372.453	3.813	50	1	FHGF	
Cc1oncc1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	587684025	JMDDWUQWKCRLKF-AYVTZFPOSA-N	373.653	3.901	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCO4)[C@@H](C2)C3=O	587420783	IVNAABZSYQQBPG-MGPUTAFESA-N	356.805	3.512	50	1	FHGF	
O=N[C@@H]1[C@H](Cl)[C@H]2C[C@@H]1[C@H]1[C@H]2C[C@H](Br)[C@@H]1Br	195487079	RTOAGUKGFNBCKI-TXDZUMIMSA-N	357.473	3.542	50	1	FHGF	
O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1	95808262	NNGMGAQZBYHRNR-CJLVFECKSA-N	367.449	3.822	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2ccc(Cl)cc21	587380184	QLFQXSMLLCEBNJ-LJQANCHMSA-N	352.777	3.891	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103195894	QUQPAJXNSGNHNL-NOGXRJNLSA-N	368.470	3.882	50	1	FHGF	
Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c(F)cccc21	101635499	HTDUFDSGCMAMNR-PYCFMQQDSA-N	359.470	3.527	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3	238750477	LBHNBCSSFWFWIR-OSTWSGHESA-N	362.466	3.761	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc(Br)ncc2[nH]1	586971270	QBLHYCZIDLOTLF-SECBINFHSA-N	363.053	3.581	50	1	FHGF	
C=C(C)[C@@H](O)CCC(=C)[C@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1	36471952	KCTBLUZWVXTOET-AJNGGQMLSA-N	351.712	3.936	50	1	FHGF	
c1cc(CN2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccn1	43552597	PMYASOKNQHSQGD-UHFFFAOYSA-N	356.466	3.505	50	1	FHGF	
O=C(Oc1ccc([N+](=O)[O-])cc1)C(Cl)(C(F)(F)F)C(F)(F)F	68574117	AREZGMKVGOBDBQ-UHFFFAOYSA-N	351.586	3.602	50	1	FHGF	biogenic
Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(=O)NN)ccc2[nH]1	587066379	MFXYWCFKMLQLAS-UHFFFAOYSA-N	365.824	3.586	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CCCl)c2)N1	587683383	GQNAAIXBKIHJFY-VFZGTOFNSA-N	372.669	3.647	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2cc(Cl)cc(Br)c2[nH]1	587008894	RICYSMOSFYYUIV-UHFFFAOYSA-N	365.058	3.569	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccc(Cl)cc21	587380179	QLFQXSMLLCEBNJ-IBGZPJMESA-N	352.777	3.891	50	1	FHGF	
O=C(CCc1ccccc1Cl)N[C@@H](Cc1ccccc1)C(=O)CCl	26163589	UNSHXMLAORMCQA-KRWDZBQOSA-N	364.272	3.808	50	1	FHGF	
CC(C)c1nn(C)c2c1[C@@](CCl)(c1ccc(F)c(Cl)c1)NCC2	962923375	YUXDFGAQSMCEBW-QGZVFWFLSA-N	356.272	3.964	50	1	FHGF	
C/C=C/CCC(=O)O[C@H]1C=CC2=CC(=O)[C@H](/C(C=O)=C\OC)C[C@]2(C)[C@H]1C	1857590501	WQQJVNUUYPMYIA-HNYOEMKWSA-N	372.461	3.711	50	1	FHGF	
CCCCNC(=S)NNC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1	103200034	JXPGSGJXRWWGSI-AWEZNQCLSA-N	373.497	3.892	50	1	FHGF	
COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1ncccc1C	963070474	VGPGHEGYRCEAHN-HXUWFJFHSA-N	353.853	3.575	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccs1)O2	587413881	QSEKCZGIWKPJEC-OAHLLOKOSA-N	352.253	3.894	50	1	FHGF	
CO[C@@H]1[C@H](C=C(C)C)C=C(C=O)[C@@H]2CC[C@@]3(C)C[C@@](OC)(CC[C@@H]3O)[C@H]21	2356548801	FZXYEBOZWVGXJG-HCYLGHFWSA-N	362.510	3.685	50	1	FHGF	
COC(=O)c1cc(Br)c2[nH]c(/C=C/CBr)nc2c1	586972490	UGWLEBWQZBKFQV-NSCUHMNNSA-N	374.032	3.520	50	1	FHGF	
CCCNC(=S)NNC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1	103200028	WAWKNVFHMAUTNK-ZDUSSCGKSA-N	359.470	3.502	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	14191018	HBICENKVYWSSQP-HVNFFKDJSA-N	366.376	3.773	50	1	FHGF	
CCC#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2	43552765	MYKZXTCHBQPKQW-TZYHBYERSA-N	358.441	3.820	50	1	FHGF	
CCO/C=C(\C#N)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	587732374	LKOUSFHHFRYBOM-POANDZOMSA-N	353.235	3.782	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C\N(C)C)(c1ccc(F)cc1)O2	587384577	MTQYHIXHOZBKHK-OKULMJQMSA-N	365.408	3.546	50	1	FHGF	
CNc1ccccc1/C(O)=C(\C#N)C(=O)NCc1cccc2ccccc12	203467056	AGAAWUMNNOQHQB-VZCXRCSSSA-N	357.413	3.991	50	3	FHGF	
C[C@]1(c2ccccc2NC(=O)CCCCl)NCCc2ccc(O)cc21	963328215	FCPXKNLTEIKVRX-HXUWFJFHSA-N	358.869	3.759	50	1	FHGF	
COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@@H]1[C@](C)(OO)CC[C@@]21C(C)C	2356383729	WZTKVYVFHGGSSD-HNDIGTQLSA-N	364.482	3.974	50	1	FHGF	
COC(=O)C1=C(C(F)(F)F)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl	58591466	PZBXDKKVRHRWOI-LBPRGKRZSA-N	374.721	3.953	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2ccc(SC(F)(F)F)cc2[nH]1	587009455	GLDWGLULUGBIEX-UHFFFAOYSA-N	351.781	3.765	50	1	FHGF	
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1	169336548	XZUMEGWUISBCPR-UHFFFAOYSA-N	356.212	3.741	50	1	FHGF	
CSc1nc2c3ccccc3ccn2c1C(=O)N/N=C/c1ccccc1	1650647	WTKOEWWTPGFMGH-FYJGNVAPSA-N	360.442	3.973	50	1	FHGF	
CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)c(C(=O)OC)c1	101459805	LAZUNEFYQCDDLS-ZCXUNETKSA-N	350.374	3.824	50	1	FHGF	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)NCC2CCCCC2)cc1	84615488	DQLWYVAFDKJYJS-INIZCTEOSA-N	359.514	3.899	50	1	FHGF	
O=C(N/N=C/c1cccnc1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	653754294	BOMQBOGXGFXBCD-ZVHZXABRSA-N	369.380	3.619	50	1	FHGF	
Cc1cc(NNC(=O)[C@@H]2O[C@H]2c2ccc(Cl)cc2)nc2ccccc12	27988732	KPDRZSZNODBNCO-ZWKOTPCHSA-N	353.809	3.780	50	1	FHGF	
CC(C)(C)[Si](O[C@@H]1C=CC(=O)CC1)(c1ccccc1)c1ccccc1	197407725	STXYXWZVXLAYIG-LJQANCHMSA-N	350.534	3.851	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)Cl)(c1c[nH]c3ccccc13)O2	587372204	KAZSWBFJMFUTKX-IBGZPJMESA-N	354.793	3.685	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(CCC[C@H]1CCBr)[C@@H](C2)C3=O	587412016	GRKUMJPJFRVKLT-BNLOLNQZSA-N	351.240	3.767	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc[nH]2)N1	587686242	SXWBDDZOBPTLJW-BJOHPYRUSA-N	357.654	3.933	50	1	FHGF	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCCO2	1772648709	LXYKPIZDEOZHIX-KEBDBYFISA-N	365.216	3.919	50	1	FHGF	
COc1ccc([C@@H]2C[C@@H]3C(=O)OC(=O)[C@@H]3c3c2c2ccccc2n3C)cc1	73331329	VMTIXTOKJATDHF-BXWFABGCSA-N	361.397	3.506	50	1	FHGF	
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@H]1Br	253723817	WNYIGUMPMQQOEY-LIEFSGRHSA-N	364.667	3.979	50	1	FHGF	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)[C@@H](C)Cl	587621579	XVWGODDCDLKJBZ-RXMQYKEDSA-N	355.623	3.681	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC=CCC)C[C@@H]1OC(C)=O	2356431064	BUFQJMZKMZGEFE-QAETUUGQSA-N	355.272	3.775	50	1	FHGF	
COc1ccc([C@@]2(CCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587418951	CDVHCTWRPARECZ-OXQOHEQNSA-N	358.821	3.976	50	1	FHGF	
CN(C)CCSSCCN(C)C(=O)c1ccc(C(C)(C)C)cc1	618009854	LPUZITDQZUBPCJ-UHFFFAOYSA-N	354.585	3.999	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc(Br)cnc2[nH]1	586971840	YSMYGJZTUPERCU-MRVPVSSYSA-N	363.053	3.581	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccn2C)N1	587682416	CCKHXNSHSZDLGZ-HWPZZCPQSA-N	371.681	3.943	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@@H](Cl)C2	2356401553	IWLYVKVOGXYQCU-YLXLXVFQSA-N	351.712	3.626	50	1	FHGF	
O=C(N/N=C/c1ccc(O)cc1)c1nc2ccccc2nc1-c1ccccc1	40897585	SAKOWFOPWLNPNM-OEAKJJBVSA-N	368.396	3.766	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCOCC1	587545221	QDJWSHRIEFESGP-PXNSSMCTSA-N	374.820	3.758	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(=O)CCl)[C@@H](C2)C3=O	587421387	LKYCEWDDUBTDSD-XOBRGWDASA-N	371.820	3.535	50	1	FHGF	
CCCCCOC(=O)[C@H](F)[C@@H](Br)C(=O)OCCCCC	33815059	VIYLRJBDJNXGJD-VXGBXAGGSA-N	355.244	3.555	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)CCl)O2	587372828	NCFRSUVYIYMSEU-LJQANCHMSA-N	358.825	3.635	50	1	FHGF	
CCOC(=O)CC[C@]1(CCl)c2cccc(Br)c2CCN1C	963272337	ZYMWWTCMMAJSPT-INIZCTEOSA-N	374.706	3.714	50	1	FHGF	
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1	1857564098	GTSQUIRXKONGIU-UHFFFAOYSA-N	358.225	3.764	50	1	FHGF	
CC1=CCC[C@]2(C)O[C@@H]2C[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)[C@]2(O)CCl	2356522907	YFHXUIYDACZSAY-QKMNUUQDSA-N	368.901	3.902	50	1	FHGF	
CCOC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	49784135	MFMBSOTYIWAHLZ-UHFFFAOYSA-N	350.455	3.957	50	1	FHGF	
COC(C)(C)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	587689702	VBWDRPWLLCQZFQ-BJOHPYRUSA-N	364.686	3.982	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@@H](c2ccc(O)cc2O)NC1=O	84619605	LJOOWPRUDFOPRU-KRWDZBQOSA-N	370.455	3.628	50	1	FHGF	
COc1cc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1	653787741	PTXLQHACYWMOLD-GIDUJCDVSA-N	355.390	3.794	50	1	FHGF	
Cc1cccc2[nH]cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)c12	962897656	LCUOVUBDAIAECE-OXJNMPFZSA-N	372.827	3.697	50	1	FHGF	
OB(O)c1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1	1772637029	QUPXBUUIYKEYAC-UHFFFAOYSA-N	366.229	3.509	50	1	FHGF	
CN(/N=c1\sc2ccccc2n1C)C(=O)C12CC3CC(CC(C3)C1)C2	101635518	LNVOJLLZYXSOSZ-VZCXRCSSSA-N	355.507	3.730	50	1	FHGF	
COc1ccc2cc(NC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)ccc2c1	31872705	IUNFBMDULNORTL-NDENLUEZSA-N	364.361	3.912	50	1	FHGF	
CN(N=O)C(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C	169332844	ZYTHLQWOTYHRGF-JGLNRKDHSA-N	357.454	3.940	50	1	FHGF	
CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)cc1OCC	1857641178	WGAVBJFACRWJCL-SPUJTINSSA-N	352.434	3.956	50	1	FHGF	
CC(=O)OC[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@@]21C	95601489	OKRJLDBBFQVPRV-BJMQQELFSA-N	361.320	3.917	50	1	FHGF	
C/C(=N\NC(=O)Nc1ccc(CN2CCC(C)CC2)cc1)c1ccccn1	1857619243	VXRUARSYOAZHEO-JJIBRWJFSA-N	365.481	3.859	50	1	FHGF	
CN(CCOc1ccc(C[C@H](Cl)C(=O)O)cc1)c1nc2ccccc2o1	26256176	PYTCEEHBDFGJJO-HNNXBMFYSA-N	374.824	3.578	50	1	FHGF	
Cc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C23C(=O)CCCC3=O)cc1	169348702	WKFCIXZXOHIMEY-UTKZUKDTSA-N	360.457	3.864	50	1	FHGF	
COc1cc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)ccc1O	587373157	QCPWLDVMKAMTAK-NSPYISDASA-N	361.825	3.779	50	1	FHGF	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC2CCCC2)cc1	1857588689	UBBPHZWCQNVOOU-LJQANCHMSA-N	368.433	3.653	50	1	FHGF	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccccc3O)o2)C1	95582848	WOVLOELORSJUKU-IKGJXOFFSA-N	367.409	3.852	50	1	FHGF	
O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(O)cc1	299862778	NYMFKKHFGDKOKO-UHFFFAOYSA-N	370.412	3.683	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587087845	WLZJAOQRKBBYEV-VIFPVBQESA-N	361.127	3.563	50	1	FHGF	
Cn1cccc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587542201	FXWFTTGTULMLBX-PXNSSMCTSA-N	369.804	3.827	50	1	FHGF	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CCl)[C@@H]1CCC2=O	3927301	KCWRWKGGJCNOJN-BRMIGGSTSA-N	350.886	3.667	50	1	FHGF	
O=C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\c1ccccc1	587875223	PLESRDXTUHVPOV-WJDWOHSUSA-N	372.251	3.938	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(Br)C2	587545000	PYKIGKVLUIEUJM-DPBGWIHLSA-N	361.191	3.650	50	1	FHGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccncc4)[C@@]13OO2	43328098	SWRZOVHINXOKBW-LCWAXJCOSA-N	363.454	3.604	50	1	FHGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)[nH]c12	299829791	SFTXVXBNVXYJSD-YDZHTSKRSA-N	355.401	3.697	50	1	FHGF	
BrC/C=C/c1nc2cccc(I)c2[nH]1	586974158	RLBASTFYUXNUQJ-GORDUTHDSA-N	362.996	3.576	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2ccnc(Br)c2[nH]1	586970153	APJILVUKJUKCJD-QMMMGPOBSA-N	363.053	3.581	50	1	FHGF	
O=C(CCl)c1c[nH]c(C/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	169693810	CDLRSKUFRLSUQF-WUKNDPDISA-N	351.706	3.537	50	1	FHGF	
O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/C1=CCCCC1	95809382	BDBKMIUKANUQEA-RCCKNPSSSA-N	357.454	3.884	50	1	FHGF	
COC(=O)/C(C#N)=C/c1ccc(C#Cc2cc(Cl)ccc2OC)cc1F	587916025	AHZMQUMNRCXDDA-MHWRWJLKSA-N	369.779	3.967	50	1	FHGF	
CN(C)CCSSCCCn1cc(-c2ccccc2Cl)nn1	618009815	KNQGPCOFYXVHCV-UHFFFAOYSA-N	356.948	3.932	50	1	FHGF	
COc1oc([C@]2(C)[C@H](C)[C@]3(C)[C@H]4OO[C@@](C)(C=C4C)[C@H]32)c(C)c(=O)c1C	2356487040	MMPARXAGZMMBGW-AQKWCWEESA-N	360.450	3.844	50	1	FHGF	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)CCC[C@@H]2Br	587500350	WKAJJFCGJQGXLM-YJBOKZPZSA-N	363.251	3.786	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C[C@H]1Br)[C@@H](C2)C3=O	587419196	XDFUUVHTNLJIDM-ZSZQSSIHSA-N	371.230	3.658	50	1	FHGF	
Cn1c2c(c(=O)c3ccccc31)[C@H]1[C@H](CC[C@@](C)(O)[C@H]1Cl)C(C)(C)O2	2356832668	JVZQPGNKHJDEHX-ADBXRKJISA-N	361.869	3.562	50	1	FHGF	
COC1CCN(c2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)CC1	36184570	ULNJIIQVMGDXOP-NBVRZTHBSA-N	365.462	3.502	50	1	FHGF	
COC(=O)C1=C(CCl)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl	49115343	HXMHWKPUYLJIJN-CQSZACIVSA-N	355.196	3.629	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CCl)c3c(c1)COCO3)O2	587376547	SEFAUOVCFODGFE-KRWDZBQOSA-N	359.809	3.889	50	1	FHGF	
Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)on1	587684008	IYUTZCJZWOFBAW-ANRSDYALSA-N	373.653	3.901	50	1	FHGF	
COc1cccc([C@H]2C(C#N)=C(N)S[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])c1	13153152	DWDZUKHJSOSLGF-RCCFBDPRSA-N	367.430	3.606	50	1	FHGF	
CCOC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3	59373465	UDIKGLJGRHNOLH-UHFFFAOYSA-N	366.454	3.889	50	1	FHGF	
COc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)ccc1O	587373160	QCPWLDVMKAMTAK-WYRIXSBYSA-N	361.825	3.779	50	1	FHGF	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccc(O)c1	4146981	DZEBQHDKHPOTJP-OAHLLOKOSA-N	364.792	3.654	50	1	FHGF	
NNC(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587050106	OOKONSQEJZBHTJ-UWVGGRQHSA-N	361.232	3.744	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	586971667	WDQSPGHPUWHYLA-JTQLQIEISA-N	355.129	3.980	50	1	FHGF	
OB(O)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1	1772646051	JFUJQKNCZYCBPO-UHFFFAOYSA-N	366.229	3.509	50	1	FHGF	
CC(C)[C@H](O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	103104132	XYWQVMJDMANVMI-RIXTWKIYSA-N	354.487	3.644	50	1	FHGF	
COC[C@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@@H]1Cl	14829630	AHGKSZXKDPGMQU-HKUYNNGSSA-N	350.890	3.883	50	1	FHGF	biogenic
O=C(c1ccccc1)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1	586906767	QMOMPUFZVIJXKH-UHFFFAOYSA-N	368.348	3.772	50	1	FHGF	
NNC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1	587951186	XKXMLVDOEQICLJ-UHFFFAOYSA-N	358.401	3.550	50	1	FHGF	
CC(C)c1nn(C)c2c1[C@](CCCl)(c1ccc(F)cc1F)NCC2	962925601	ZXVCPFXFQDZCET-SFHVURJKSA-N	353.844	3.840	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	169371812	XDUGJINPXBRUHH-XJKOARGCSA-N	368.348	3.617	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	169372248	GTWREXBWRJAYAW-OCLOLKKJSA-N	366.376	3.773	50	1	FHGF	
Cc1ccc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)s1	963218006	FKWIQJKLQVIVJL-VQIMIIECSA-N	372.877	3.686	50	1	FHGF	
CC(C)=CCN1C(=O)/C(=N/NC(=O)c2cc(C)cc(C)c2)c2ccccc21	1857649820	INHXVCXCANVLAR-BSYVCWPDSA-N	361.445	3.750	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3	2356473618	LBHNBCSSFWFWIR-OUJGAGHGSA-N	362.466	3.761	50	1	FHGF	
Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)on1	587684022	JLYYAGGREOHIIZ-GLEZIHRCSA-N	373.653	3.901	50	1	FHGF	
COC(C)(C)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	587687131	FOFCGYOIGAOAJA-VFZGTOFNSA-N	364.686	3.982	50	1	FHGF	
C[C@H](Br)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587538312	PADLLATXNCLKKP-NCAQKEMTSA-N	363.207	3.896	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C(=O)Cl)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O	587418709	UZTSSJCHBLRDND-RNODOKPDSA-N	367.788	3.585	50	1	FHGF	
COc1ccc([C@]2(CSC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1	587407688	CDUYMWGEOLRJGQ-LJQANCHMSA-N	354.431	3.661	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccccn2)N1	587686637	WJVONGLLMVTIHU-HWPZZCPQSA-N	369.665	4.000	50	1	FHGF	
O=C(Oc1cccnc1Cl)c1cc2cc(CCl)ccc2oc1=O	13557550	UXAYXQFVCJZHOI-UHFFFAOYSA-N	350.157	3.799	50	1	FHGF	
COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F	40584319	XDSDVGUXKRTRTG-VGOFMYFVSA-N	371.364	3.650	50	1	FHGF	
Cn1/c(=N/NC(=O)C2CCCCC2)sc2cc(OC(F)(F)F)ccc21	101635524	RDKSBIFWWNBESY-QNGOZBTKSA-N	373.400	3.651	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2ccc(Br)nc2[nH]1	587086583	DMRZXNYUYDNGDJ-SSDOTTSWSA-N	351.017	3.905	50	1	FHGF	
O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NNc1nncc2ccccc12	66123698	FIMHLXUBJOEJKS-JXMROGBWSA-N	374.322	3.685	50	1	FHGF	
N#CC1=C(NC(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N2CCC[C@@H]12	96935409	FHFFQLGZPMRXBJ-SFHVURJKSA-N	373.416	3.648	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccn2C)N1	587684228	KJKBTAMFRGLYLP-MGPLVRAMSA-N	371.681	3.943	50	1	FHGF	
Oc1ccc2c(c1)[C@](CCl)(Cc1cccc(Br)c1)NCC2	963329811	UVKUQDFNQNSGSE-QGZVFWFLSA-N	366.686	3.977	50	1	FHGF	
COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1	3990442	AZWHYMCLZCJZKA-MRXNPFEDSA-N	357.207	3.676	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(C)cc1)[C@@H](C2)C3=O	587449651	QMANTJVIEMMSIO-OXJNMPFZSA-N	351.427	3.861	50	1	FHGF	
O=C1NC(=O)c2ccc(/N=N/N(CCCl)CCCl)c3cccc1c23	1772648889	XZKUVGPZBPAKRG-QZQOTICOSA-N	365.220	3.502	50	1	FHGF	
COC(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586985485	IMHOONYTVNTZFL-KRWDZBQOSA-N	353.761	3.605	50	1	FHGF	
CS(=O)(=O)/C(C#N)=C/c1cc(-c2ccnc3ccccc23)ccc1F	1857587505	KHJLPIKFRRHLDD-RVDMUPIBSA-N	352.390	3.950	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	101311119	GTWREXBWRJAYAW-RISWDNOKSA-N	366.376	3.773	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1csc(C(=O)CCl)c1)[C@@H](C2)C3=O	587452864	PVSRPDMQSOZPTI-SGTLLEGYSA-N	362.834	3.841	50	1	FHGF	
CC(=O)O[C@@H]1[C@H]2[C@](C)(O)CC[C@@H](Br)[C@]2(C)CC[C@@H]1C(C)C	5553788	STGVJNXXFGCHPJ-RGGMIXCSSA-N	361.320	3.915	50	1	FHGF	
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])cc1	1772627946	UIFURPBRUPMSLM-KRWDZBQOSA-N	360.373	3.548	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)CCl)c1)O2	587374243	VIGZVYWIFCPJPV-LJQANCHMSA-N	358.825	3.635	50	1	FHGF	
COc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2c(F)cccc2C[C@@H]2CCCN21	963104624	LYLOCNQSFORJCO-KSFYIVLOSA-N	365.404	3.574	50	1	FHGF	
CC(C)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN	13215317	IWTVSCLZMFXYHC-GOSISDBHSA-N	366.490	3.850	50	1	FHGF	
CCCCC(CCCC)NNC(=O)c1cc(OC)c(OC)c(OC)c1	40938667	SSAMNMLUYMVYDZ-UHFFFAOYSA-N	352.475	3.696	50	1	FHGF	
COc1cc(O)c2c(c1)/C=C\CCC[C@H](O)C[C@H](Cl)C[C@H](C)OC2=O	169344547	BECOBHILFUXGOG-GACYCLBISA-N	368.857	3.892	50	1	FHGF	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1cccs1	20238272	BXISOPKQRATYMT-OAHLLOKOSA-N	367.499	3.963	50	3	FHGF	
C[C@@]12CCC[C@@](C)(C=O)[C@H]1CC[C@@]13C[C@@](O)(CCl)[C@@](O)(CC[C@@H]21)C3	14923585	DTMIPKXLCMUODX-LGLDLRFUSA-N	354.918	3.683	50	1	FHGF	
CC(C)[C@]12/C=C/[C@](C)(O)C/C=C/[C@](C)(OO)CC/C=C(\CC1)C(=O)O2	238776420	MTLYMLXKPBANDE-AAZGCHHLSA-N	350.455	3.940	50	1	FHGF	
O=C(NNCCCN1c2ccccc2CCc2ccccc21)c1ccncc1	1857756124	TXZVGKZAZDQXQT-UHFFFAOYSA-N	372.472	3.643	50	1	FHGF	
Cc1ccc(SCCO[P@@](N)(=O)N(CCCl)CCCl)cc1	27212406	GQJXCIOJYWDAQJ-HXUWFJFHSA-N	371.270	3.950	50	1	FHGF	
C[C@@H](Br)COc1oc(=O)c2cc([N+](=O)[O-])ccc2c1Cl	27634804	HGDILSDFQGZHSJ-ZCFIWIBFSA-N	362.563	3.517	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H]4OO[C@@]3(C=C4C(C)(C)O)CC[C@@H]21	606576025	IOWHRFKVRZOMCP-LPLZUFFLSA-N	364.482	3.552	50	1	FHGF	biogenic
Cc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)s1	963218000	FKWIQJKLQVIVJL-LPHOPBHVSA-N	372.877	3.686	50	1	FHGF	
C=C[C@]1(C)[C@H](Cl)C[C@@H]2[C@H](C(=O)c3c(NC=O)cccc3C2(C)C)[C@H]1NC	2356834513	KBVDCYGEVOQIMT-GIWSLNRASA-N	374.912	3.753	50	1	FHGF	
CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCO)CCC[C@@H]3C[C@H]2C[Si](C)(C)C	195135945	OWRZJKGNIFIYSX-ONTMVUMWSA-N	358.551	3.549	50	1	FHGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccncc4)[C@]13OO2	43328097	SWRZOVHINXOKBW-DEPCRRQNSA-N	363.454	3.604	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)C(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	96907597	GQESXUQDHZFCPM-BUKUATRQSA-N	368.470	3.784	50	1	FHGF	
Cc1oc(C(N)=O)cc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587499110	RWVPUZWMELKPSY-HXUWFJFHSA-N	373.836	3.665	50	1	FHGF	
O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cc2ccccc2[nH]1	1772600756	AEODOODLTVSJEW-UHFFFAOYSA-N	363.446	3.808	50	1	FHGF	
COC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@H]1Cl	14829632	AHGKSZXKDPGMQU-IEBWSBKVSA-N	350.890	3.883	50	1	FHGF	biogenic,in-vitro
CSc1ccc(Cl)c(C(=O)NCCSSCCN(C)C)c1	618008074	RDZNXIWRQUXZKD-UHFFFAOYSA-N	364.989	3.735	50	1	FHGF	
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CC(C)(C)C	1857596682	UDFOEWOBPCCCNG-KEBDBYFISA-N	363.845	3.884	50	1	FHGF	
C=C(CCCC(C)=O)[C@@H](C=O)[C@H](CC(=O)OC)C(C=O)=CCC=C(C)C	2356416126	JPHSEWDOTZQMCS-WOJBJXKFSA-N	362.466	3.778	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C[C@@H]1Br)[C@@H](C2)C3=O	587419193	XDFUUVHTNLJIDM-URLQWDBASA-N	371.230	3.658	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCOCC1	587545212	QDJWSHRIEFESGP-FXAWDEMLSA-N	374.820	3.758	50	1	FHGF	
O=C1C[C@@](CBr)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1	587499476	NHLDINVPGLZWJE-FZKQIMNGSA-N	365.267	3.701	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3cccs3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100857804	PJBPRSMZQDWWIQ-RRTZAIATSA-N	363.479	3.946	50	1	FHGF	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CCl)[C@H]1CCC2=O	253633646	KCWRWKGGJCNOJN-HKIKYGAMSA-N	350.886	3.667	50	1	FHGF	
O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(F)cc2[nH]1	587009810	UNCBHGKHDARDNM-KRWDZBQOSA-N	370.815	3.822	50	1	FHGF	
Cc1ccc(/C=C(\C#N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1	587188197	PMGMPXBQVRBZKD-QGOAFFKASA-N	357.461	3.687	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3	169331954	HBICENKVYWSSQP-AELAOQJQSA-N	366.376	3.773	50	1	FHGF	
COc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1	587419685	XTESFHIRQOKIQS-QRWLVFNGSA-N	374.820	3.594	50	1	FHGF	
COC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587326985	NSFAZDAGPYZDAW-WMZOPIPTSA-N	350.773	3.514	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CCl)c3c(c1)COCO3)O2	587376565	SEFAUOVCFODGFE-QGZVFWFLSA-N	359.809	3.889	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CCCl)c2)N1	587685278	PFWIQLUNAAIWEM-BJOHPYRUSA-N	372.669	3.647	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(Br)C2)N1	587682116	MNMLPXAWXKDIDV-AQUGYRSOSA-N	363.068	3.875	50	1	FHGF	
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(N)=O	2356699149	FROMEQXJVLQDFU-NUXNZHGMSA-N	359.583	3.818	50	1	FHGF	
Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@H](Cl)[C@@H]21	2356835913	KVKPUNTZFLWTSM-ZOLBPLDDSA-N	361.869	3.562	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4	43307952	NEGWVKPKTURHQB-CQAWWZBVSA-N	358.434	3.762	50	1	FHGF	
Cc1cccc2[nH]cc(C(=O)NCCCSSCCN(C)C)c12	618017635	UPTDFOIYEVWWED-UHFFFAOYSA-N	351.541	3.539	50	1	FHGF	
Cc1ccccc1Oc1ccccc1NCC(=O)N/N=C/c1ccncc1	201287888	BMZKEDCARTWLMU-ZVHZXABRSA-N	360.417	3.745	50	1	FHGF	
N#CC1=C(N)OC2=C(COC/C2=C/c2cccs2)[C@@H]1c1cccs1	971495	DQSMGVSLWGCJBJ-MRDWYFFCSA-N	354.456	3.985	50	1	FHGF	
Br[C@H]1[C@H]2C[C@@H](Br)[C@@H]1c1nc3ccccc3nc12	6018384	QOJHWZCVLHYPBW-QPYBSBGSSA-N	354.045	3.741	50	1	FHGF	
O=C1CC(CBr)=NN1c1c2ccccc2nc2ccccc12	49111916	IDILECAHIHGUTC-UHFFFAOYSA-N	354.207	3.876	50	1	FHGF	
COc1c(O)ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1[N+](=O)[O-]	40974743	BVLNSFSCYPSDSX-YRNVUSSQSA-N	373.752	3.508	50	1	FHGF	
Cc1cccc(-n2cc([C@]3(CCl)NCCc4cc(Cl)ccc43)nn2)c1	963377723	DGJYOLTZCWBXEA-LJQANCHMSA-N	373.287	3.857	50	1	FHGF	
COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1	1489418	AZWHYMCLZCJZKA-INIZCTEOSA-N	357.207	3.676	50	1	FHGF	
NNC(=O)CCCCCCCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2	587873892	OXMKHVKBZQRYAO-UHFFFAOYSA-N	374.416	3.546	50	1	FHGF	
COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCC3=CCOC3=O)=C(C=O)CC[C@@H]12	13780197	RMYRPJRILWRVFE-UIFIKXQLSA-N	360.450	3.525	50	1	FHGF	
CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	95808994	UONMUJMPXCYTLP-UDWIEESQSA-N	355.394	3.503	50	1	FHGF	
c1cnc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)nc1	43569598	SUOGFRORDZHFHE-UHFFFAOYSA-N	371.481	3.906	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CCCl)c1	587541777	DKEWRCYLNNDIQX-VQIMIIECSA-N	370.792	3.530	50	1	FHGF	
N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccoc2)[C@@H]2CCCC=C12	169348679	AETSDJPNNSGILM-BEFAXECRSA-N	370.408	3.905	50	1	FHGF	
C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1	587114393	SUPSGEPZTDYCQP-SNVBAGLBSA-N	362.355	3.531	50	1	FHGF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCl)(c2ccc3c(c2)CCCC3)N1	962926678	YXRULUKSOKPNCR-RXVVDRJESA-N	373.855	3.786	50	1	FHGF	
O=C1C[C@@](CBr)(c2ccncn2)Oc2c1ccc1c2CCCC1	587498870	JQNHJRPRKUGWNA-GOSISDBHSA-N	373.250	3.611	50	1	FHGF	
CCOCCOC(=O)/C(C#N)=C(/CC)NNc1ccc(Cl)cc1Cl	40876302	AEMIKJJILCYYTF-OWBHPGMISA-N	372.252	3.677	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@@H](c2cccc(O)c2)NC1=O	84616792	AYEXMZPITINLCA-KRWDZBQOSA-N	354.456	3.922	50	1	FHGF	
CCOC(=O)[C@H](Cl)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(C)C	587648594	CADKNWDQVKUMBY-CQSZACIVSA-N	357.859	3.538	50	1	FHGF	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)c1ccco1	70455026	YUSOZANRPRLVOT-NDENLUEZSA-N	368.264	3.636	50	1	FHGF	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)NCCc2ccccc2)cc1	84615492	GSCNMFUXSCJWSV-KRWDZBQOSA-N	367.493	3.562	50	1	FHGF	
Cc1ccc(/C=C(/C#N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1	587188195	PMGMPXBQVRBZKD-AQTBWJFISA-N	357.461	3.687	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)cc1F)[C@@H](C2)C3=O	587425237	AOWYRFNLKXYULL-SCLBCKFNSA-N	350.748	3.855	50	1	FHGF	
O=C(N/N=C/c1cc(Br)cs1)c1cnc2ccccc2c1	13442484	XUNXFCUSSZWUCX-QGMBQPNBSA-N	360.236	3.823	50	1	FHGF	
O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccccc1	135831728	IPNQVLKPRLUPKB-UHFFFAOYSA-N	364.228	3.989	50	1	FHGF	
Cc1ccc(NC2=C(OC(=O)c3ccccc3C)OC(=O)[C@H]2Cl)cc1	169691806	YGUGUERWZPXDET-HNNXBMFYSA-N	357.793	3.906	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3cccs3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	195226958	PJBPRSMZQDWWIQ-GHKKNHRNSA-N	363.479	3.946	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)OC)CC2=O	587455569	CWEJXRMFPSAMHZ-KRWDZBQOSA-N	371.271	3.869	50	1	FHGF	
C=C(CCCC(C)=O)[C@@H](C=O)[C@@H](CC(=O)OC)C(C=O)=CCC=C(C)C	2356416125	JPHSEWDOTZQMCS-VQTJNVASSA-N	362.466	3.778	50	1	FHGF	
C[C@@H]([C@H](O)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1	59313585	ICBOYFKPRKHWSC-AVRDEDQJSA-N	365.413	3.969	50	1	FHGF	biogenic
O=C(O)COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1	68600062	YLUCBMHUVJUDJQ-UHFFFAOYSA-N	366.353	3.664	50	1	FHGF	biogenic
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)C1CCCC1	1857552625	YGZNFHBNNVMRHJ-KEBDBYFISA-N	361.829	3.638	50	1	FHGF	
CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NCC2CCCCC2)cc1	84615485	DQLWYVAFDKJYJS-MRXNPFEDSA-N	359.514	3.899	50	1	FHGF	
COC(=O)c1cc2[nH]c([C@H](Br)C(C)(C)F)nc2cc1OC	587086981	KRUDQRDAKQGBDH-NSHDSACASA-N	359.195	3.542	50	1	FHGF	
COc1ccc2nc(NC(=O)N/N=C(\C)c3ccc(O)cc3)sc2c1	28823214	LHGDJHBCXGIGNG-KEBDBYFISA-N	356.407	3.556	50	1	FHGF	
CC(C)c1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(O)c(C(C)C)c1	586896496	MSOYIQPSEBWHHA-UHFFFAOYSA-N	352.438	3.786	50	1	FHGF	
BrC/C=C\c1nc2ccc(I)cc2[nH]1	586974735	YTOKWJOABZBUPI-UPHRSURJSA-N	362.996	3.576	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@H](c2cc(O)ccc2O)NC1=O	84620161	JBQLPIQAJGPJAG-QGZVFWFLSA-N	370.455	3.628	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc[nH]1	587541915	DTLQGKHTIKJCBL-LPHOPBHVSA-N	355.777	3.816	50	1	FHGF	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2	1772651858	PXQJCLGANCAZFX-SSDVNMTOSA-N	364.323	3.631	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C[C@H]1Br)[C@@H](C2)C3=O	587419186	XDFUUVHTNLJIDM-GMBSWORKSA-N	371.230	3.658	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(CCC(=O)OCC)CC2=O	587461129	XGEJJBZBHQGTHO-SFHVURJKSA-N	354.830	3.631	50	1	FHGF	
C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCCC1CCCCC1	26502336	UFDOXXVARDYOOI-XENKUQMPSA-N	363.546	3.873	50	1	FHGF	
C[C@H](Br)COc1oc(=O)c2cc([N+](=O)[O-])ccc2c1Cl	27634810	HGDILSDFQGZHSJ-LURJTMIESA-N	362.563	3.517	50	1	FHGF	
COc1ccc2c(c1)[C@@](C)([C@H](Cl)C(=O)C(F)(F)F)N(C(C)C)CC2	962089905	ICLIGVHYBTXBHN-ZBFHGGJFSA-N	363.807	3.916	50	1	FHGF	
CCc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1	201287483	HMVSRLKYHNIDMG-QPSGOUHRSA-N	351.237	3.513	50	1	FHGF	
CC(=O)OC[C@@]12C=C[C@@]([C@H]3CC[C@@H](Br)C(C)(C)C3)(CC1)OO2	2356781779	BXPQIWLMEKLSCR-ABFRBSLYSA-N	373.287	3.929	50	1	FHGF	
CCCC[C@@H](/C=N/NC(=O)NCc1ccccc1)NC(=O)OC(C)(C)C	28570126	HTKXROOHCJNGFN-YIRPMMGJSA-N	362.474	3.555	50	1	FHGF	
COc1ccc2cc(/C=N\NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1	31895480	HMCWMTOYAJPJEO-NDENLUEZSA-N	364.361	3.912	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)OCCCO3)O2	587371501	GAYBFBOQQPOGFF-FQEVSTJZSA-N	373.836	3.838	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1CCBr)[C@@H](C2)C3=O	587412022	GRKUMJPJFRVKLT-ZUCKAHLUSA-N	351.240	3.767	50	1	FHGF	
C[C@@H]1CC[C@@H]2CC(=O)N(CCc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	195311037	COPFMDWZDDWXEP-QTNLDPDJSA-N	371.477	3.677	50	1	FHGF	
CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NCc2ccccc2)cc1	84615349	DUQLFPJPWCNPQX-MRXNPFEDSA-N	353.466	3.519	50	1	FHGF	
O=c1[nH]c2nonc2nc1Nc1cccc(S(F)(F)(F)(F)F)c1	1911580977	WPRGRXBZEKWDOC-UHFFFAOYSA-N	355.248	3.707	50	1	FHGF	
N#C/C(=C\c1cccc(Br)n1)C(=O)N[C@@H]1CCc2ccccc21	73166775	YDUPEOVBVLLSRR-QSOAKEGCSA-N	368.234	3.555	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	169341381	UPDJPXJSQCFMLW-ZNWUBMMZSA-N	357.450	3.635	50	1	FHGF	
COc1oc([C@@]2(C)[C@H]3[C@]4(C)C=C(C)[C@H](OO4)[C@@]3(C)[C@H]2C)c(C)c(=O)c1C	2356487041	MMPARXAGZMMBGW-GWZUGAIVSA-N	360.450	3.844	50	1	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC=C2C(C)(C)CCC[C@@]2(C)O)OO1	2356808256	YPJYPALXYRADAE-HRYATBACSA-N	354.487	3.942	50	1	FHGF	
CCCCC[C@H](C=C[C@H]1[C@H](CC=CCCCC(=O)O)C(=O)C[C@H]1O)OO	2356853478	RGQICUMNQVAHES-VUHPKUFZSA-N	368.470	3.748	50	1	FHGF	
CC(=O)O[C@@H]1C[C@@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]13	103089910	IZEWXSNCLIVJKF-HGMIMVGUSA-N	360.494	3.668	50	1	FHGF	
COc1cc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)ccc1O	587373158	QCPWLDVMKAMTAK-WLRWDXFRSA-N	361.825	3.779	50	1	FHGF	
N#C/C=C/c1ccc([C@@H](NO)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1	169350435	ZZSBZTAEOWXJIS-IUINOXSKSA-N	368.400	3.697	50	1	FHGF	
C[C@@]1(CC(=O)NCc2ccc3c(c2)OCC=CO3)CC2(CCCCC2)OO1	49680109	SSCCINNDXPYQQI-HXUWFJFHSA-N	373.449	3.791	50	1	FHGF	
O=C(O)[C@H]1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1C(=O)O	587970414	GWKAQOFEAWUASC-PSVAKVPMSA-N	372.271	3.719	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(O)c(O)c1)CC2=O	587462036	VWXAXMLGBCJGBR-IBGZPJMESA-N	362.809	3.855	50	1	FHGF	
CC(=N)/C(C#N)=C(\O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1	103108938	DXSXAUJWIKKAHN-MTUWLMOISA-N	366.349	3.805	50	1	FHGF	
Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/NC1CCCCC1)C=C3C=O	102905660	JVTHGNYJYRQFRL-SDNWHVSQSA-N	363.413	3.686	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1Cl	587707698	WJKDJHFVCRVSEE-LWFJWFQOSA-N	362.670	3.734	50	1	FHGF	
C[C@H](Br)C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1	28954574	ALZFGDPVPQTWHQ-JTQLQIEISA-N	365.202	3.800	50	1	FHGF	
O=C(NN=Cc1ccco1)c1cc(Cl)ccc1C(=O)NC1CCCCC1	472791568	CPNSPCNEIFIXDU-UHFFFAOYSA-N	373.840	3.759	50	1	FHGF	
C=C1CCCC(C)(C)[C@@]1(O)CC[C@@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1	42834943	OHYYIYQJXHASNH-XAMWDVODSA-N	354.487	3.942	50	1	FHGF	
Cn1/c(=N/NC(=O)CC(C)(C)C)sc2cc(OC(F)(F)F)ccc21	101635546	PYPVCBLWSWFYNN-MOSHPQCFSA-N	361.389	3.507	50	1	FHGF	
C[C@@H](Br)C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1	28954572	ALZFGDPVPQTWHQ-SNVBAGLBSA-N	365.202	3.800	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C\N(C)C)(c1ccc(F)cc1)O2	587384575	MTQYHIXHOZBKHK-MQGIHEMASA-N	365.408	3.546	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4	100864646	NEGWVKPKTURHQB-DFZZAROHSA-N	358.434	3.762	50	1	FHGF	
COc1cc(OC)cc(/C(=C\C#N)c2ccc(OC)c(NC(C)=O)c2)c1	84541538	YPKFRAHOUNLTKO-WSVATBPTSA-N	352.390	3.626	50	1	FHGF	
CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1cccs1	472791546	ASURNIJTHYPQFB-UHFFFAOYSA-N	363.870	3.695	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ncc(Cl)cc1F)[C@@H](C2)C3=O	587425572	DYSUCLSOJGPSCO-GTNSWQLSSA-N	368.191	3.764	50	1	FHGF	
COC(=O)c1ccnc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12	586973522	LASPEBKZSWYKGI-SNVBAGLBSA-N	374.238	3.791	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cocn2)N1	587686673	XCRWXEVFJKBLNE-XLKFXECMSA-N	359.626	3.593	50	1	FHGF	
Cc1oncc1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	587682015	AZRNZLPSDHXLDD-GLEZIHRCSA-N	373.653	3.901	50	1	FHGF	
CN(C)/N=N/c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	18061993	CZFINUYTAFHRGQ-BEHKCWOLSA-N	374.242	3.773	50	1	FHGF	
N#C/C(=C\c1cn(CCC(=O)O)c2ccccc12)C(=O)Nc1ccccc1	96271133	ANWQQIHREGEPPS-NTCAYCPXSA-N	359.385	3.662	50	1	FHGF	
CCCC(=O)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	96907593	PZXFCRNPLRHHOV-LKQXGUGWSA-N	354.443	3.538	50	1	FHGF	
O=C1OC(=O)c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)ccc21	586906078	IOIBOMHMTGXJPQ-UHFFFAOYSA-N	366.336	3.637	50	1	FHGF	
CC(=O)OC[C@@]12C=C[C@@]([C@@H]3CC[C@@H](Br)C(C)(C)C3)(CC1)OO2	2356781781	BXPQIWLMEKLSCR-SRABZTEZSA-N	373.287	3.929	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3	2356473616	LBHNBCSSFWFWIR-GHRYLNIYSA-N	362.466	3.761	50	1	FHGF	
CN[C@H](c1ccc(/C=C/C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1	169350569	MQCLJWQFLZBJRK-GMKGHPLGSA-N	366.428	3.937	50	1	FHGF	
CC(=N)/C(C#N)=C(/O)CSc1nnc(COc2ccccc2Cl)o1	101873604	UHTSFBMRRRMYAO-RNXQGPNMSA-N	364.814	3.769	50	1	FHGF	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)CCC[C@H]2Br	587500345	WKAJJFCGJQGXLM-CRAIPNDOSA-N	363.251	3.786	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc[nH]2)N1	587682410	CBUKREHPOTTXAT-RFAUZJTJSA-N	357.654	3.933	50	1	FHGF	
CC1=C(C#N)C(=C(C#N)C#N)O[C@@]1(C)c1c(F)c(F)c(F)c(F)c1F	73159035	MOVULYMBQQUVIX-MRXNPFEDSA-N	351.234	3.769	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccn2C)N1	587682419	CCKHXNSHSZDLGZ-QLJPJBMISA-N	371.681	3.943	50	1	FHGF	
O=C1OC(=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc21	586905806	CMCPSFWFHVGLKD-UHFFFAOYSA-N	366.336	3.637	50	1	FHGF	
COC(=O)Cc1c(CCl)nc2ccc(O)c3c2c1-c1ccccc1C3=O	586986740	SWNVSEZVLFSLOL-UHFFFAOYSA-N	367.788	3.606	50	1	FHGF	
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2[C@@H]3C[C@H]1/C(=N\NC(=O)c1ccncc1)[C@H]32	1857615666	XPZVSDKNQZMDAQ-GCCCGOFZSA-N	371.557	3.701	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C)o1)[C@@H](C2)C3=O	587412231	IAGCUGAGXDDQJC-YVEFUNNKSA-N	363.207	3.634	50	1	FHGF	
C[C@]12CC(=O)[C@@]3(SC#N)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O	2356304770	DWIXJBBZGSOVLL-KRUJCJHPSA-N	357.475	3.603	50	1	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(CC=C2C(C)(C)CCC[C@]2(C)O)OO1	2356808257	YPJYPALXYRADAE-ITKAJJHTSA-N	354.487	3.942	50	1	FHGF	
O=N[C@@H]1[C@@H](Cl)[C@H]2C[C@@H]1[C@H]1[C@H]2C[C@H](Br)[C@@H]1Br	195487082	RTOAGUKGFNBCKI-UJZISDOUSA-N	357.473	3.542	50	1	FHGF	
CCN(CC)c1ccc(C(=O)NCCCSSCCN(C)C)cc1	618008289	XGGIBJQKGNBBMU-UHFFFAOYSA-N	369.600	3.596	50	1	FHGF	
O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1	587009609	NICRZPUFMVAMHG-KRWDZBQOSA-N	352.825	3.683	50	1	FHGF	
O=C=Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587879627	XBYATWVUZYHNPM-UHFFFAOYSA-N	359.212	3.671	50	1	FHGF	
N#C/C(=C(/O)COC(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1	101643086	FYAVUIGNZFOWOV-PEZBUJJGSA-N	361.382	3.818	50	1	FHGF	aggregator
COc1ccc(Br)cc1C(=O)N/N=C/c1cc2ccccc2[nH]1	95559055	ZIVZSWLPMNGDDR-VXLYETTFSA-N	372.222	3.703	50	1	FHGF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1	587970412	GWKAQOFEAWUASC-AYMMMOKOSA-N	372.271	3.719	50	1	FHGF	
CC(C)(O)[C@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(CC1)OO2	2356593282	FPDDUPUDFYVZHW-IGGMLHCZSA-N	350.455	3.608	50	1	FHGF	
CCn1c(C)nc2cc(C(=O)N/N=C\c3ccccc3OC(F)F)ccc21	33417133	YCPYNUYSCNCIFC-JJFYIABZSA-N	372.375	3.730	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	137530238	HBICENKVYWSSQP-QMCPMGKZSA-N	366.376	3.773	50	1	FHGF	
C[C@@H]1CC[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	195247944	UPDJPXJSQCFMLW-FMHVOVLGSA-N	357.450	3.635	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](Br)C1=O)CC2=O	587457664	ACSMWBJTBTUCPP-SJCJKPOMSA-N	367.239	3.565	50	1	FHGF	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2ccccc2[nH]1	95561482	NSDDVBGCKNSWIG-KEBDBYFISA-N	372.222	3.790	50	1	FHGF	
CC1=Nc2ccccc2/C1=C/NNC(=O)c1cccc(Br)c1	104034128	ASSPXFSHYCBXNT-XNTDXEJSSA-N	356.223	3.831	50	3	FHGF	
CCCCCCCCCCCCCC(=O)NNC(=O)C[n+]1ccccc1	43322978	KLEAWQRRNXNQHT-UHFFFAOYSA-O	362.538	3.823	50	1	FHGF	
BrC/C=C/c1nc2ccc(I)cc2[nH]1	586974734	YTOKWJOABZBUPI-OWOJBTEDSA-N	362.996	3.576	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](Cc3ccccc3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4	43888370	XNRRDQOQHVJHLV-MKXLOECBSA-N	358.434	3.618	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C[C@H]1Br	587371169	DQNQRRNFEHWMMP-AEFFLSMTSA-N	358.235	3.758	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cocn2)N1	587686668	XCRWXEVFJKBLNE-CLAHSXSESA-N	359.626	3.593	50	1	FHGF	
COC(C)(C)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	587687129	FOFCGYOIGAOAJA-PSLIRLAXSA-N	364.686	3.982	50	1	FHGF	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N=C=O	587881303	SXVSTXUINBFOET-UHFFFAOYSA-N	373.239	3.980	50	1	FHGF	
COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@@H]1[C@@](C)(OO)CC[C@@]21C(C)C	2356383731	WZTKVYVFHGGSSD-WRVRNPCMSA-N	364.482	3.974	50	1	FHGF	
N#CC1=C(SCC(=O)NC2CC2)N=C2CCCC(O)=C2[C@H]1c1ccco1	100703305	WOTAUAPYMOIHNH-QGZVFWFLSA-N	369.446	3.561	50	1	FHGF	
CO[C@]1(c2ncc(F)cc2-c2ccns2)C=C(C#N)C(=O)C(C)(C)C1	1857547856	AMJALMCHLCZRNN-GOSISDBHSA-N	357.410	3.635	50	1	FHGF	
CC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]12	1857547957	MBSDPPCRLFNZBS-OYANEBKRSA-N	368.473	3.944	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	101311117	GTWREXBWRJAYAW-RFWWHXEJSA-N	366.376	3.773	50	1	FHGF	
O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cccc(F)c1	103228880	GTAOXJYWYFJHJR-QOMWVZHYSA-N	368.371	3.932	50	1	FHGF	
COC(=O)C1=C[C@@H]2[C@H](C[C@]3(C)O[C@@H]3CC1)[C@@H]1[C@@](C)(OO)CC[C@]21C(C)C	2356383732	WZTKVYVFHGGSSD-XJKGWNRQSA-N	364.482	3.974	50	1	FHGF	
Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)on1	587684010	IYUTZCJZWOFBAW-GLEZIHRCSA-N	373.653	3.901	50	1	FHGF	
C=CCn1c(SC/C(O)=C(/C#N)C(C)=N)nc2sc(CC)cc2c1=O	103352146	PSYIMYGHEYNDII-UZVMZPRTSA-N	374.491	3.674	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1	36471951	KCTBLUZWVXTOET-QPSCCSFWSA-N	351.712	3.936	50	1	FHGF	biogenic
COC(C)(C)[C@H](Br)c1nc2ccnc(Br)c2[nH]1	586970151	APJILVUKJUKCJD-MRVPVSSYSA-N	363.053	3.581	50	1	FHGF	
CC(=O)OC[C@]1(C)C[C@](Br)(CCl)[C@H](Cl)C[C@H]1Cl	2356795609	MHQSTQDPTAQKDO-ZNSHCXBVSA-N	366.510	3.937	50	1	FHGF	
C/C(=N\NC(=O)CNc1cccc(Oc2ccccc2)c1)c1ccncc1	201288522	VFKYFTQIVJAIAA-LFVJCYFKSA-N	360.417	3.826	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)CCC[C@H]1Br	587459337	OIBADXILHWYSGQ-PBHICJAKSA-N	367.239	3.565	50	1	FHGF	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(O)c1	4146980	DZEBQHDKHPOTJP-HNNXBMFYSA-N	364.792	3.654	50	1	FHGF	
CC1=C/C(=N\NC(=O)c2cc3ccccc3cc2O)c2c(O)cccc2C1=O	169350135	ZUQJCENBVNZBEF-HAVVHWLPSA-N	372.380	3.528	50	1	FHGF	
COC(=O)[C@H](Cl)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O	586985014	DBHWPBCECAVPJT-QGZVFWFLSA-N	367.788	3.913	50	1	FHGF	
COc1cc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)ccc1O	587373155	QCPWLDVMKAMTAK-JEOXALJRSA-N	361.825	3.779	50	1	FHGF	
COc1ccc(CCNC(=O)CCO[Si](C)(C)C(C)(C)C)cc1OC	195519154	DOKHYTPVYRUPJJ-UHFFFAOYSA-N	367.562	3.774	50	1	FHGF	
CCOC(=O)[C@@H](Cl)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	587496625	JEYIYYJCTXDBAG-MJGOQNOKSA-N	350.842	3.850	50	1	FHGF	
Cc1cc(N=C=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587878662	OJPKLINWXWFHEV-UHFFFAOYSA-N	373.239	3.980	50	1	FHGF	
CS(=O)(=O)/C(C#N)=C/c1cccc(-c2ccc(Cl)c(Cl)c2)n1	1857606096	ZJEDUSIUWAHZNK-XYOKQWHBSA-N	353.230	3.964	50	1	FHGF	
COC(=O)C1=CN(c2c(C)cc(C)cc2C)C(N)=C(C#N)[C@H]1c1ccccc1	95569852	MNOUVLIDLRYTSK-HXUWFJFHSA-N	373.456	3.966	50	3	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CCCl)c1	587541775	DKEWRCYLNNDIQX-QFBILLFUSA-N	370.792	3.530	50	1	FHGF	
COc1ccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(OC)c1	7077913	JIHDPLIJEANSDF-VRWOBNJCSA-N	371.264	3.745	50	3	FHGF	
CC(=O)O[C@@H]1CC(C=O)=CC=C2C3=C(C(C)C)CC[C@]3(C(=O)O)CC[C@@]21C	14497169	HOSRLRWNDVYKNJ-COPCDDAFSA-N	372.461	3.991	50	1	FHGF	biogenic
COc1cc2c3c(c1)O[C@@]1(CC(=C(C#N)C#N)c4ccccc41)[C@@H](C2)C3=O	587430132	YNSVZEVGLDXPFF-PGRDOPGGSA-N	354.365	3.543	50	1	FHGF	
N#CC1=C(SCC(N)=O)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccccc1	104701900	KPQNXMKELGCCBW-KRWDZBQOSA-N	373.437	3.509	50	1	FHGF	
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1	103200479	WMVHARKWMABWRW-UHFFFAOYSA-N	354.450	3.898	50	1	FHGF	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1	1772639464	TZZZQLYKIKJYOG-PXLXIMEGSA-N	353.466	3.514	50	1	FHGF	
CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O)OO	85533645	BGTZBKUZEYECKP-OUTUXVNYSA-N	368.470	3.748	50	1	FHGF	
C#CCC=C[C@@H]1O[C@H]([C@@H](Br)CC=CCC)C[C@H]1OC(C)=O	2356722996	WQGFWXLZHZPRSS-LUKYLMHMSA-N	355.272	3.775	50	1	FHGF	
O=P(Cc1ccccc1OCCO)(c1ccccc1)c1ccccc1	3099862	AIDDUBMTKHLMSN-UHFFFAOYSA-N	352.370	3.572	50	1	FHGF	biogenic
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(N)=O	2356699148	FROMEQXJVLQDFU-NPSOMJIGSA-N	359.583	3.818	50	1	FHGF	
CC(=O)OC[C@@]12C=C[C@@]([C@@H]3CC[C@H](Br)C(C)(C)C3)(CC1)OO2	2356781783	BXPQIWLMEKLSCR-WTTBNOFXSA-N	373.287	3.929	50	1	FHGF	
Br[C@H](Cn1ncc2c(NC3CC3)ncnc21)c1ccccc1	28569768	CQJPPEHYIGTSOW-CQSZACIVSA-N	358.243	3.537	50	1	FHGF	
C=C(c1ccc(OC)cc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1	43523666	AHMQKHQAKMQCMW-ZQRQZVKFSA-N	374.433	3.815	50	1	FHGF	
CN(C(=O)[C@H](N=C=S)c1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1	40503994	FNFPEYFFVUCCKM-GUDVDZBRSA-N	357.523	3.696	50	1	FHGF	
CC(=CCOc1cc(=O)oc2cccc(C)c12)[C@@H](O)C=CC(C)(C)OO	2356647745	VQIKMKPDMSGMTM-HNNXBMFYSA-N	360.406	3.612	50	1	FHGF	
CC=CCCC(=O)O[C@@H]1C=CC2=CC(=O)[C@H](C(C=O)=COC)C[C@@]2(C)[C@H]1C	2356328506	WQQJVNUUYPMYIA-HZGQWHLTSA-N	372.461	3.711	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ncccc14)([C@@H](C)Cl)[C@@H](C2)C3=O	587418809	VJMLBHAEMUGHTO-SAUNLDPVSA-N	368.820	3.842	50	1	FHGF	
CC(=O)OC[C@H]1[C@@]2(C)CC[C@H](Br)C(C)(C)[C@@H]2CC[C@@]1(C)O	95602514	OKRJLDBBFQVPRV-CUINURIISA-N	361.320	3.917	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O	587416510	ALFVOVIVLZWKFE-YWZLYKJASA-N	374.820	3.594	50	1	FHGF	
CN1CCc2cnn(C)c2[C@@]1(CCl)c1cc(Cl)sc1Cl	963956108	UYZQKAFXEIOXFH-CYBMUJFWSA-N	350.702	3.759	50	1	FHGF	
CCOC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1	586971757	YIJFPLFORDDPRH-LBPRGKRZSA-N	355.232	3.601	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccsc1)O2	587414725	VEHMBVUCVPFRFN-OAHLLOKOSA-N	352.253	3.894	50	1	FHGF	
COC(=O)/C(C#N)=C\c1ccc(C#Cc2cc(Cl)ccc2OC)cc1F	587916034	AHZMQUMNRCXDDA-YBEGLDIGSA-N	369.779	3.967	50	1	FHGF	
CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccn4)[C@@]13OO2	43422614	GCBSDWINMZDELA-MEBIHWHUSA-N	363.454	3.604	50	1	FHGF	
COc1ccc(C[C@H](C)Oc2ccc(C=CC=O)cc2OC)cc1OC	2356711229	PUDXYWKCEYLTMQ-HNNXBMFYSA-N	356.418	3.935	50	1	FHGF	
NNC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1	587084327	YMDYFIQBCJVEKC-UHFFFAOYSA-N	363.808	3.549	50	1	FHGF	
COc1ccc(/C=N/NC(=O)CCn2ccc3c(C)cccc32)cc1OC	115597974	LTFMREFOBYNCHF-HYARGMPZSA-N	365.433	3.507	50	1	FHGF	
CCCCC[C@H](C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)O)OO	2356853477	RGQICUMNQVAHES-DFEOGRTESA-N	368.470	3.748	50	1	FHGF	
N#Cc1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1	58487873	BFRZYDPBSXOFSL-ZVHZXABRSA-N	365.396	3.865	50	1	FHGF	
CCc1ccc(C(=O)NN(C(=O)c2ccc3ocnc3c2)C(C)(C)C)cc1	103184558	LBIOTBXBPHFOOE-UHFFFAOYSA-N	365.433	3.976	50	1	FHGF	
C/C(=N\NC(=O)COc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	33339497	RBZFDUNMGFVLPJ-KGENOOAVSA-N	363.373	3.667	50	1	FHGF	
COC(C)(C)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	587687128	FOFCGYOIGAOAJA-BJOHPYRUSA-N	364.686	3.982	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ncccc13)([C@@H](C)Cl)O2	587371600	HAGPPQRAZNIROX-NSPYISDASA-N	355.825	3.942	50	1	FHGF	
C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1OO	238774124	UBJSKQKLIONSSE-SZMOYDELSA-N	362.422	3.507	50	1	FHGF	
CCC(CC)c1cc(C(=O)NCCCSSCCN(C)C)on1	621485832	OOPJGJLSZDLYJU-UHFFFAOYSA-N	359.561	3.641	50	1	FHGF	
O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccc(Cl)cc1	1772633076	AXCOKGZIIPYZRO-AWQFTUOYSA-N	361.184	3.864	50	1	FHGF	
O=C(CCl)Nc1ccc(SCC(=O)Nc2cc(Cl)ccn2)cc1	96908522	NZQNDMRWWUZITR-UHFFFAOYSA-N	370.261	3.643	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccnc1CCl	587881564	QNVFJQQYHHSUOL-UHFFFAOYSA-N	367.663	3.838	50	1	FHGF	
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(CO)[C@@H]4CC[C@@]13C=C2C=O	2356403438	JJNDASAEWOQLIM-OVFLGSAZSA-N	360.494	3.668	50	1	FHGF	
CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1	73162327	JNFPXSHTAZOEHK-YTBHAWNYSA-N	365.389	3.865	50	1	FHGF	
C=C1CCCC(C)(C)[C@]1(O)CC[C@@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1	42834941	OHYYIYQJXHASNH-FEHORTKBSA-N	354.487	3.942	50	1	FHGF	
Nc1ncnc2c1c(-c1ccc(O)cc1)nn2C[C@H](Cl)c1ccccc1	473134484	CQWIYIVPQSCUCT-HNNXBMFYSA-N	365.824	3.761	50	1	FHGF	
CCOC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	587688708	NIJPHBQXLGXBNC-OTYXRUKQSA-N	350.659	3.593	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc2sc(C(=O)NN)cc2c1	587921000	OZZDQCPIJWQLIF-UHFFFAOYSA-N	356.834	3.567	50	1	FHGF	
CN(C(=O)[C@H](N=C=S)c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1	40505598	FNFPEYFFVUCCKM-GBESFXJTSA-N	357.523	3.696	50	1	FHGF	
C#CCC=C[C@@H]1O[C@H]([C@H](Br)CC=CCC)C[C@@H]1OC(C)=O	2356722998	WQGFWXLZHZPRSS-QZWWFDLISA-N	355.272	3.775	50	1	FHGF	
CC(C)(O)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2	238743056	FPDDUPUDFYVZHW-YAVHWGEVSA-N	350.455	3.608	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@@](C)(Cl)[C@H](Br)C1	238754568	DCHVPEBIMVAEJJ-TUVASFSCSA-N	351.712	3.936	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4OO[C@]3(C=C4C(C)(C)O)CC[C@H]21	96909962	IOWHRFKVRZOMCP-WNFWSTTGSA-N	364.482	3.552	50	1	FHGF	
COC(=O)c1cc(Br)c2[nH]c(/C=C\CBr)nc2c1	586972489	UGWLEBWQZBKFQV-IHWYPQMZSA-N	374.032	3.520	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCCO3	586971030	KRNNQUTYBRTCHZ-CYBMUJFWSA-N	355.232	3.585	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccn(C)c2)N1	587682633	DEEZWOHHCGRAOS-HWPZZCPQSA-N	371.681	3.943	50	1	FHGF	
COCCCN1CCc2ccc(OC)cc2[C@]1(C)CCCBr	961316981	DSNGFNYNFWOTOZ-SFHVURJKSA-N	370.331	3.980	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)[C@H]13	2356367003	UKKLQQNAXRBSIP-OOJCKGNBSA-N	374.477	3.761	50	1	FHGF	
CN(C)CCSSCCCNC(=O)c1ccc2ccccc2c1O	618007920	NFEQVOSEODEOCU-UHFFFAOYSA-N	364.536	3.608	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1cccc([N+](=O)[O-])c1)O2	587411435	ZVSUCCCCYYIPCV-GOSISDBHSA-N	369.402	3.560	50	1	FHGF	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(F)cc(F)c1	1772631079	KTEMZHYJDCPXEP-INIZCTEOSA-N	364.355	3.583	50	1	FHGF	
Cc1ccc([C@H]2[C@@H]3CN(C(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc1	169686632	IABBLXTYLMVNQF-UXHICEINSA-N	357.461	3.696	50	1	FHGF	
COc1ccc(N(C)c2ccnc(Cl)n2)cc1OCCBr	1857760692	KYSPDWBXMPIFLL-UHFFFAOYSA-N	372.650	3.680	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(Cc1ccccc1)O2	587376935	YWORMSPLNAHONW-GOSISDBHSA-N	360.251	3.919	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccn(C)c2)N1	587682636	DEEZWOHHCGRAOS-MGPLVRAMSA-N	371.681	3.943	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4	137081393	XDUGJINPXBRUHH-LIAJWVKVSA-N	368.348	3.617	50	1	FHGF	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4[nH]ccc4c3)o2)c1	473130921	MLUGAEOXORYDIO-FSJBWODESA-N	373.368	3.890	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccccn2)N1	587682817	DSFWDBUZLCDNNN-MGPLVRAMSA-N	369.665	4.000	50	1	FHGF	
COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12	13439110	ACMRUPCRSYINDG-SRZZPIQSSA-N	354.793	3.971	50	1	FHGF	
COc1ccc(/C(=C\C#N)c2cc(OC)c(OC)c(OC)c2)cc1OC	73196096	UYRLBVHNBIPJGW-OVCLIPMQSA-N	355.390	3.685	50	1	FHGF	
CCc1ccccc1NCC(=O)N/N=C/c1c(Cl)cncc1Cl	201289475	ZBYKQWHCGJJZQS-QPSGOUHRSA-N	351.237	3.513	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@](C)(Cl)[C@@H](Br)C1	2356488920	DCHVPEBIMVAEJJ-QPSCCSFWSA-N	351.712	3.936	50	1	FHGF	
Cc1ccc(N(/N=C/c2ccc(O)c(O)c2)C(=O)C(F)(F)F)c(C)c1	96928713	SXMMVEXSGVOPFA-ZVBGSRNCSA-N	352.312	3.644	50	1	FHGF	
COc1cc(OC)cc(/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)c1	1772614625	AORQGTQRXCDDRM-GIDUJCDVSA-N	355.390	3.794	50	1	FHGF	
O=C(N/N=c1/c(=O)c2c3ccccc3cc3cccc1c32)c1ccccc1	1862411	BALPFFAJNOVRKR-DARPEHSRSA-N	350.377	3.628	50	1	FHGF	
COc1ccc(/C=N/N(C(=O)c2ccc(C)cc2)C(=O)c2cccnc2)cc1	66251904	AFPNDHDGZSHXDC-ZVHZXABRSA-N	373.412	3.715	50	1	FHGF	
O=C(NNC(=S)Nc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1	103291110	FQMMYMLGGCHONH-UHFFFAOYSA-N	372.837	3.626	50	1	FHGF	
CC(C)(F)[C@H](Br)c1nc2ccnc(Br)c2[nH]1	587087542	RIQARWWMIRTEGT-SSDOTTSWSA-N	351.017	3.905	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)OC)CC2=O	587455570	CWEJXRMFPSAMHZ-QGZVFWFLSA-N	371.271	3.869	50	1	FHGF	
C[C@H](Br)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587538311	PADLLATXNCLKKP-IXBGWNDUSA-N	363.207	3.896	50	1	FHGF	
CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	1857774926	DUBUMHULHFIOPF-RELWKKBWSA-N	367.836	3.787	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CCCl)c2)N1	587683381	GQNAAIXBKIHJFY-PSLIRLAXSA-N	372.669	3.647	50	1	FHGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccncc4)[C@@]13OO2	100036620	SWRZOVHINXOKBW-JAZQRGJZSA-N	363.454	3.604	50	1	FHGF	
NNC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1	587083103	GSAVUOMPLPCEFT-UHFFFAOYSA-N	372.215	3.688	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1Cl	587703714	HBZLVMLZUMPUKC-ARMNPZELSA-N	362.670	3.734	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@H](c2cccc(O)c2)NC1=O	84616794	AYEXMZPITINLCA-QGZVFWFLSA-N	354.456	3.922	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3	100841369	HBICENKVYWSSQP-YJJSKAROSA-N	366.376	3.773	50	1	FHGF	
CC1=C(C#N)C(=C(C#N)C#N)O[C@]1(C)c1c(F)c(F)c(F)c(F)c1F	73159039	MOVULYMBQQUVIX-INIZCTEOSA-N	351.234	3.769	50	1	FHGF	
CCCCC(Br)(Br)C(=O)CBr	14769569	OVWMQEIGPZGSQD-UHFFFAOYSA-N	350.876	3.627	50	1	FHGF	biogenic
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(F)ccc1F)[C@@H](C2)C3=O	587423489	KVEAWOCLPVNFBS-UGSOOPFHSA-N	350.748	3.855	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCC(=O)N3)O2	587374631	YZWVGRUWCSBRLB-HXUWFJFHSA-N	370.836	3.561	50	1	FHGF	
CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1OCC	144539835	HEVZSGLPTKDKJH-HYARGMPZSA-N	363.417	3.796	50	1	FHGF	
Cc1ccc(S(=O)(=O)/N=C(/CCCCCl)N2CCCCC2)cc1	45347749	PZOQJLWOZLRNLQ-ZPHPHTNESA-N	356.919	3.977	50	1	FHGF	
CC/C(=N/NC(=O)c1ccc2c(c1)nc(C)n2CC)c1cc(F)ccc1O	73053843	KYSHOAZTLJNUDJ-KQWNVCNZSA-N	368.412	3.753	50	1	FHGF	
CC(C)(OO)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@H]1OO3	105442686	HAPYGVXWHYQMIJ-UGCNJCKESA-N	366.454	3.961	50	1	FHGF	biogenic
COc1ccc(/C(=N/NC(C)=O)c2ccccc2)cc1OC1CCCC1	13535331	NKZLTJQXEQEIKS-XTQSDGFTSA-N	352.434	3.905	50	1	FHGF	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2ccccc2)o1	15979329	DZWVJHIANBLEEN-BKUYFWCQSA-N	363.373	3.856	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cscn1	587616315	BPIQWNMZQJHSMW-YJBOKZPZSA-N	373.817	3.945	50	1	FHGF	
CCc1ccc(-c2cc(C(=O)NN/C=C3\C=Nc4ccccc43)[nH]n2)cc1	13124110	CPVSEBFCGVFENU-DTQAZKPQSA-N	357.417	3.631	50	3	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC(=O)C(C)(C)CCCC(C)=O)OO1	49881832	OQQQVWCMVDRPGR-GUXCAODWSA-N	370.486	3.800	50	1	FHGF	biogenic
COC(C)(C)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	587689704	VBWDRPWLLCQZFQ-RFAUZJTJSA-N	364.686	3.982	50	1	FHGF	
CC(C)[C@]1(O)CC[C@]2(C)CC=C(C=O)C[C@@H](OC(=O)c3ccc(O)cc3)[C@@H]21	13432602	JENQPAWXVQJHSO-XMGTWHOFSA-N	372.461	3.640	50	1	FHGF	biogenic
COc1cc([C@@H]2NCCc3nc4ccccn4c32)ccc1OCCCCl	962986687	JWEPUYGDOSDKPO-IBGZPJMESA-N	371.868	3.586	50	1	FHGF	
COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(C(=O)Cl)cc1	963063007	YTNAGKYYDYMUMS-SFHVURJKSA-N	352.821	3.858	50	1	FHGF	
O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@H]3CCl)cccc21	40828319	CNGSOQBKXOJZSZ-AWEZNQCLSA-N	368.864	3.577	50	1	FHGF	
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(N)=O	2356699146	FROMEQXJVLQDFU-COJSNBRMSA-N	359.583	3.818	50	1	FHGF	
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(CO)[C@H]4CC[C@@]13C=C2C=O	2356403439	JJNDASAEWOQLIM-UUYWHIPUSA-N	360.494	3.668	50	1	FHGF	
Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(Br)C1	96318543	RQPBNUNWFPKAII-UHFFFAOYSA-N	365.319	3.626	50	1	FHGF	
COC(=O)CCCCCCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1	95809802	DJGZUMOGTIDTQY-CIAFOILYSA-N	358.360	3.669	50	1	FHGF	
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccccn2)n1	13647740	LXSCMALKABNBIO-NBVRZTHBSA-N	358.430	3.894	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4	103195892	QUQPAJXNSGNHNL-BWUNLBERSA-N	368.470	3.882	50	1	FHGF	
CC(C)[C@H](NC(=O)CCl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587496097	BNCIRGUFRPJFPX-VQTJNVASSA-N	363.885	3.669	50	1	FHGF	
O=C/C=C\c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587881961	HMERPTNOPPLETN-CLTKARDFSA-N	372.251	3.916	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2ccnc(Br)c2[nH]1	587087544	RIQARWWMIRTEGT-ZETCQYMHSA-N	351.017	3.905	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Cl)C(=O)Nc1ccccc1)O2	587371906	HTHKBTSCFGYJAF-PKOBYXMFSA-N	358.825	3.547	50	1	FHGF	
O=C(N/N=C/C=C/c1ccc(Br)cc1)c1ccc2c(c1)OCO2	15936059	HLAUOCIWPZYJNQ-WTZCTBQZSA-N	373.206	3.607	50	1	FHGF	
COc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(NC(C)=O)c2)c1	1857623326	YPKFRAHOUNLTKO-UHFFFAOYSA-N	352.390	3.626	50	1	FHGF	
CC(C)=CCN1C(=O)/C(=N/NC(=O)c2cccc(Cl)c2)c2ccccc21	1857765787	UMGOYPLMENRFQF-RELWKKBWSA-N	367.836	3.787	50	1	FHGF	
C[C@H](O[P@](N)(=O)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1	64527043	QIJPHCXXSPFIMF-MGUXCZDKSA-N	370.173	3.519	50	1	FHGF	
COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1	72110038	OZFIUHNMJOELEE-CIAFOILYSA-N	365.458	3.794	50	1	FHGF	
C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1O	2356404216	HKYMFIOAZKZMJH-HAWRHSFISA-N	350.455	3.835	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc4[nH]c(O)cc4c1)[C@@H](C2)C3=O	587419600	FIMQFPIYFZLYKC-VBKZILBWSA-N	369.804	3.764	50	1	FHGF	
N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1	1857600738	ONHSAXYHQRARSD-ZROIWOOFSA-N	355.331	3.566	50	1	FHGF	
C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)CCOC2(CCCC2)OO1	43552948	SIQYXGZAQVGLHC-HNNXBMFYSA-N	360.859	3.511	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)OCCCO3)O2	587371505	GAYBFBOQQPOGFF-HXUWFJFHSA-N	373.836	3.838	50	1	FHGF	
Cc1nc2ccccc2nc1CCC(=O)N/N=C/c1c[nH]c2ccccc12	1857767261	JVUSFBSNMFSGAE-YDZHTSKRSA-N	357.417	3.502	50	1	FHGF	
CCCNc1nc(N(C)C)nc2c1cnn2C[C@@H](Cl)c1ccccc1	40915424	ORSJMRYJQKLLEC-OAHLLOKOSA-N	358.877	3.694	50	1	FHGF	
COc1ccccc1/C=N/NC(=O)c1ccc(-c2ccc(F)cc2F)o1	71331315	JDJRYVYZKJYJAP-SSDVNMTOSA-N	356.328	3.997	50	1	FHGF	
CCOC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587326085	JOZKIWWOPLGHNG-PKOBYXMFSA-N	364.800	3.904	50	1	FHGF	
Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(F)cc(F)c1	1772631080	KTEMZHYJDCPXEP-MRXNPFEDSA-N	364.355	3.583	50	1	FHGF	
COc1ccccc1-c1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1	587933144	UJVIVTQDYMHESG-UHFFFAOYSA-N	358.401	3.509	50	1	FHGF	
CC1=C(c2ccc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1	587188520	UMQPUFBPYNUKBY-YVLHZVERSA-N	369.428	3.691	50	1	FHGF	
CCCCNC(=S)NNC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1	103200035	JXPGSGJXRWWGSI-CQSZACIVSA-N	373.497	3.892	50	1	FHGF	
Cc1oncc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587542376	GZDFQUVSCBSLER-APWZRJJASA-N	371.776	3.785	50	1	FHGF	
CCOC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	587688779	OEFFRRNJRQXPQD-LKFCYVNXSA-N	350.659	3.593	50	1	FHGF	
C=C(C)[C@@H](C[C@H](O)C(C)=CCOc1cc(=O)oc2cccc(C)c12)OO	2356658306	NKPVHABUNKIXAV-DOTOQJQBSA-N	360.406	3.612	50	1	FHGF	
CC(C)[C@@]12C=C[C@@](C)(O)CC=C[C@](C)(OO)CCC=C(CC1)C(=O)O2	253780547	MTLYMLXKPBANDE-ZCNNSNEGSA-N	350.455	3.940	50	1	FHGF	
CN(CCBr)c1cc(-c2ccc(Cl)cc2)oc(=O)c1C#N	169323984	HKUBLHSTLPHKIX-UHFFFAOYSA-N	367.630	3.663	50	1	FHGF	
COc1ccc(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)cc1	587935571	NZEZNXJCNWYFGQ-UHFFFAOYSA-N	358.401	3.509	50	1	FHGF	
COC(C)(C)[C@]1(CBr)c2c(F)cccc2C[C@H]2CCCN21	963103486	LLAOELADAAGPRE-DYVFJYSZSA-N	356.279	3.861	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@H]1OC(C)=O	2356795096	IHNQKSPJGWMDCR-TWMKSMIVSA-N	355.272	3.775	50	1	FHGF	
CN1CCc2c(Br)cccc2[C@]1(CCl)c1ccccn1	963280622	OCHCHGQWVQLANX-MRXNPFEDSA-N	351.675	3.814	50	1	FHGF	
N#C/C(=C\c1ccc2c(c1)OCO2)n1nnc2ccc(C(F)(F)F)cc21	72123467	KXRVLVLXVMEVOF-LFYBBSHMSA-N	358.279	3.700	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4	58615875	GTWREXBWRJAYAW-QTCPVOMQSA-N	366.376	3.773	50	1	FHGF	
N#C/C(=C(\O)COC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1	102682861	UTYQGMWDTPHFDQ-XDJHFCHBSA-N	372.384	3.623	50	1	FHGF	aggregator
Cc1ccc(-c2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c(C)s2)cc1	587013377	NEQVURVAAZVNFC-UHFFFAOYSA-N	363.446	3.574	50	1	FHGF	
CCOC(=O)[C@@]1(CCBr)CCc2c1nc1cccc3c1c2CC3	587208637	WMORMHSKKWBDLX-LJQANCHMSA-N	374.278	3.866	50	1	FHGF	
COC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587326983	NSFAZDAGPYZDAW-FUHWJXTLSA-N	350.773	3.514	50	1	FHGF	
C[C@H](C(=O)NNC(=O)NC1CCCC1)c1cccc(Cc2ccccc2)c1	84616909	UIASGYJCOORIBU-INIZCTEOSA-N	365.477	3.654	50	1	FHGF	
CCCC[C@@H](/C=N/NC(=O)N1CCc2ccccc21)NC(=O)OC(C)(C)C	28569617	XFJFXJUUFGRLHF-YIRPMMGJSA-N	374.485	3.828	50	1	FHGF	
COc1cc(/C(C#N)=C/c2ccc3c(c2)OCCO3)cc(OC)c1OC	653714267	LYTRPUZXLFZSPO-OVCLIPMQSA-N	353.374	3.548	50	1	FHGF	
CC(C)CC[C@@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@@H](C)[C@@H]1C(=O)OO	83922095	STXVCFZKJAHSFN-VXOKYEDTSA-N	372.417	3.634	50	1	FHGF	in-vitro
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C)o1)O2	587376901	YQQOREOHLCCWBU-INIZCTEOSA-N	350.212	3.734	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)cc1F)[C@@H](C2)C3=O	587425238	AOWYRFNLKXYULL-UGSOOPFHSA-N	350.748	3.855	50	1	FHGF	
CC[C@H](C)n1c(SC/C(O)=C(/C#N)C(C)=N)nc2ccccc2c1=O	101638932	VTMBQOVSGYYOQX-GLJWCTECSA-N	356.451	3.835	50	1	FHGF	
C=C[C@@H]1[C@H](Cl)C[C@H]2C(=O)[C@@]1(N=C)c1cccc3c1[C@H](C(=O)N3)C2(C)C	2356864044	UUFVIJICPAQYJA-YNFJWYDQSA-N	356.853	3.657	50	1	FHGF	
CN(C)C(=O)c1ccc2c(c1)[C@](CCl)(C1CCC(F)(F)CC1)NCC2	962930632	YSLAFTLPNBKBNX-IBGZPJMESA-N	370.871	3.794	50	1	FHGF	
BrC(Br)=CC(Br)Br	85922020	QLUXCMXINPJPGY-UHFFFAOYSA-N	357.665	3.734	50	1	FHGF	biogenic
C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C\c1ccncc1	103172799	XQMHNDGXHNRVJJ-MGHGIJLISA-N	372.639	3.959	50	1	FHGF	
CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1	5461491	IWNBIQGDBOBOKO-PXLXIMEGSA-N	352.438	3.754	50	3	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)Cl)(c1c(C)[nH]c3ccccc13)O2	587370581	ALYXDZGRQBJUFT-FQEVSTJZSA-N	368.820	3.993	50	1	FHGF	
COC(=O)Cc1c(CCl)nc2cccc3c2c1-c1ccccc1C3=O	587102506	VZEMUDBIYMWVNG-UHFFFAOYSA-N	351.789	3.901	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccccc1CN(C)C(=O)CCl	587901690	NKRCCZPWMCLKAG-UHFFFAOYSA-N	362.256	3.946	50	1	FHGF	
CC(C)[C@]1(O)CC[C@@]2(C)CC=C(C=O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21	95912658	JENQPAWXVQJHSO-YVNJGZBMSA-N	372.461	3.640	50	1	FHGF	biogenic,in-vitro
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@@H]1Br	40410352	WNYIGUMPMQQOEY-JVQVWZCXSA-N	364.667	3.979	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc[nH]1	587541912	DTLQGKHTIKJCBL-APWZRJJASA-N	355.777	3.816	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(CC(=C(C#N)C#N)c4ccccc41)[C@@H](C2)C3=O	587430127	YNSVZEVGLDXPFF-AVRDEDQJSA-N	354.365	3.543	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1	36472093	KCTBLUZWVXTOET-CBBWQLFWSA-N	351.712	3.936	50	1	FHGF	
CC(=O)OC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@@]21C	95602458	OKRJLDBBFQVPRV-HZRXROBNSA-N	361.320	3.917	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(Cl)c2[nH]1	587009138	XDQAPJMZKZJHAR-UHFFFAOYSA-N	365.058	3.569	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3	140637427	HBICENKVYWSSQP-VSPOPZGASA-N	366.376	3.773	50	1	FHGF	
Cc1ccc2c3c(cc(CNC(=O)[C@@H](C)Cl)nc13)-c1ccccc1C2=O	586992351	AHUCIVKSOAGSBU-GFCCVEGCSA-N	364.832	3.998	50	1	FHGF	
COC(=O)[C@@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C	587620957	KUARCFCDLPUDQB-JTQLQIEISA-N	356.607	3.568	50	1	FHGF	
CCCC[C@@]1(O)OOC(c2ccccc2)(c2ccccc2)C[C@H]1C(=O)OC	1857590084	PEHMOOZTWRAVTJ-SIKLNZKXSA-N	370.445	3.950	50	1	FHGF	
O=N[C@H]1[C@H]2C[C@@H]([C@@H]3C[C@@H](Br)[C@@H](Br)[C@H]32)[C@H]1Cl	254200570	RTOAGUKGFNBCKI-DCCPSORISA-N	357.473	3.542	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H]4OO[C@@]3(C=C4C(C)(C)O)CC[C@H]21	105501029	IOWHRFKVRZOMCP-XNLMUQHUSA-N	364.482	3.552	50	1	FHGF	biogenic
COC(C)(C)[C@H](Br)c1nc2c(Br)ccnc2[nH]1	586970793	IXZPBRUYTMTMDD-MRVPVSSYSA-N	363.053	3.581	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4OO[C@]3(C=C4C(C)(C)O)CC[C@H]21	73312881	IOWHRFKVRZOMCP-OBQBINIZSA-N	364.482	3.552	50	1	FHGF	
CC(C)(O)[C@@]12C=C3CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@]3(CC1)OO2	141724843	FPDDUPUDFYVZHW-QOOKETHRSA-N	350.455	3.608	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cocn2)N1	587684773	MIFKZGUODRUFLE-RMLUDKJBSA-N	359.626	3.593	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CCCl)c2)N1	587683367	GQNAAIXBKIHJFY-BJOHPYRUSA-N	372.669	3.647	50	1	FHGF	
COCCN(C(=O)CCl)C(=C(C)C)c1ccc(Br)cc1	103189824	PYUPADZQOCIEMP-UHFFFAOYSA-N	360.679	3.914	50	1	FHGF	
Cc1cccc(C(=O)NNCc2ccccc2)c1NC(=O)C(C)(C)CCl	103208758	HIQKQVOZHMLVDF-UHFFFAOYSA-N	373.884	3.633	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)CCC[C@@H]1Br	587459341	OIBADXILHWYSGQ-WMLDXEAASA-N	367.239	3.565	50	1	FHGF	
CCOC(=O)[C@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C	587621666	ZHBZFXNQUFJSCU-LLVKDONJSA-N	370.634	3.958	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(CCl)c1	587888264	IYWLZELMGGHMAF-UHFFFAOYSA-N	367.663	3.838	50	1	FHGF	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(S(=O)(=O)O)c1	103229836	WFAWMGOGRVIPQL-GFCCVEGCSA-N	361.510	3.586	50	1	FHGF	
COC(=O)[C@H](C)[C@H]1CC[C@](C)(C=CC(=O)C(C)(C)CCCC(C)=O)OO1	2356793458	HFYOIPHYKALCPH-JXXFODFXSA-N	368.470	3.576	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(CCc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	169371581	COPFMDWZDDWXEP-ZVNQDOHQSA-N	371.477	3.677	50	1	FHGF	
C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](OO)C(=C)C[C@H](OC(=O)C(C)=CC)[C@H]12	2356386722	UBJSKQKLIONSSE-ZJPYXAASSA-N	362.422	3.507	50	1	FHGF	
C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C\c1cccnc1	103172794	RIXOPEWXVBZNPZ-OSALFXOTSA-N	372.639	3.959	50	1	FHGF	
CCOC(=O)CC[C@@]1(CCl)c2cccc(Br)c2CCN1C	963272338	ZYMWWTCMMAJSPT-MRXNPFEDSA-N	374.706	3.714	50	1	FHGF	
COc1ccc2cc([C@@H]3C(C#N)=C(N)OC(C)=C3C(C)=O)c(Cl)nc2c1	883069	JYGMRGUMQXGELI-QGZVFWFLSA-N	369.808	3.567	50	3	FHGF	
N#CC1=C(N)Oc2c(c(O)nc3c2ccc2ccccc23)[C@@H]1c1ccncc1	1857619584	CSOMWHWOJLMWBU-QGZVFWFLSA-N	366.380	3.707	50	1	FHGF	
CC1=CN2C(=N[C@](c3c[nH]c4ccccc34)(C(F)(F)F)C(C#N)=C2N)C=C1	621477778	LPCRDHDRHAJNBR-GOSISDBHSA-N	369.350	3.807	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1Cl	587707697	WJKDJHFVCRVSEE-BGEUTBQWSA-N	362.670	3.734	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	169372249	GTWREXBWRJAYAW-GBBCRZDKSA-N	366.376	3.773	50	1	FHGF	
COC(=O)c1cc(Br)c2[nH]c([C@H](C)Br)nc2c1	587008055	GRCWJENHWRTHLN-YFKPBYRVSA-N	362.021	3.568	50	1	FHGF	
Cc1oncc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587542385	GZDFQUVSCBSLER-VQIMIIECSA-N	371.776	3.785	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cscn1	587616314	BPIQWNMZQJHSMW-QAPCUYQASA-N	373.817	3.945	50	1	FHGF	
CN(C(=O)Cc1cccc(N=C=S)c1)[C@H]1CCCC[C@@H]1N1CCCC1	6010264	WUMHMDKKMXDQOX-OALUTQOASA-N	357.523	3.829	50	1	FHGF	
CC(C)Cc1ccc(-c2[nH]nc3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1	5130280	KALTZNCIACZJME-GOSISDBHSA-N	371.444	3.888	50	1	FHGF	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1	1659579	MREIMMKDUCOWLY-CXUHLZMHSA-N	363.171	3.513	50	1	FHGF	
O=C(O)CCCCCCCC(=O)OC(=O)CCCCCCCC(=O)O	113642405	XBZWSZLNCWTVRA-UHFFFAOYSA-N	358.431	3.687	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Cl)C(=O)Nc1ccccc1)O2	587371903	HTHKBTSCFGYJAF-IEBWSBKVSA-N	358.825	3.547	50	1	FHGF	
CCOC1=C/C(=C/NNC(=O)c2cc3c(ccc4ccccc43)o2)C=CC1=O	15951934	DYCXACZKJJAMPS-BUHFOSPRSA-N	374.396	3.764	50	3	FHGF	
CC(C)c1cccc(C(=O)NCCCSSCCN(C)C)c1O	618008381	ZHBNHXYFHXBDSI-UHFFFAOYSA-N	356.557	3.579	50	1	FHGF	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)[C@H](C)Cl	587621581	XVWGODDCDLKJBZ-YFKPBYRVSA-N	355.623	3.681	50	1	FHGF	
CCCCC(Br)(Br)[C@@H]1O[C@@H]1Br	13379400	KNBWKACANPXXPL-RITPCOANSA-N	350.876	3.783	50	1	FHGF	biogenic
Cc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)c(Br)c1	6796998	NAWQIFJKUWKIMZ-ZBXLFGCISA-N	363.211	3.545	50	3	FHGF	
Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2cccc(F)c21	101635478	HWDBDMCBBSLPNL-PYCFMQQDSA-N	359.470	3.527	50	1	FHGF	
Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccncc4)cc3)[nH]c12	299828666	OPBAEGKFFWTWSN-YDZHTSKRSA-N	355.401	3.697	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(Br)C2)N1	587685896	UMOBVAZQRNUEIS-AQUGYRSOSA-N	363.068	3.875	50	1	FHGF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCl)(c2ccc3c(c2)CCCC3)N1	962926676	YXRULUKSOKPNCR-GHTZIAJQSA-N	373.855	3.786	50	1	FHGF	
C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C\c1cccnc1	103172796	RIXOPEWXVBZNPZ-MGHGIJLISA-N	372.639	3.959	50	1	FHGF	
CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NCCc2ccccc2)cc1	84615490	GSCNMFUXSCJWSV-QGZVFWFLSA-N	367.493	3.562	50	1	FHGF	
COC(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586985486	IMHOONYTVNTZFL-QGZVFWFLSA-N	353.761	3.605	50	1	FHGF	
Cc1ccc(NC2=C(OC(=O)c3ccc(C)cc3)OC(=O)[C@H]2Cl)cc1	169700572	FXKXCZLPTOWIRZ-HNNXBMFYSA-N	357.793	3.906	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](C#N)c1nc(C)cs1)O2	587415400	ZWQDUOLMSBTLJH-SJKOYZFVSA-N	361.854	3.592	50	1	FHGF	
N#CC1=C(N)OC2=CC(=O)/C(=C/Nc3ccccc3)C=C2[C@@H]1c1ccccc1	104001910	CFXALKHOUHYTKK-FDGLKFFFSA-N	367.408	3.883	50	3	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc3c(c1)OCCO3)O2	587377572	WZAJAJIDGACDND-FQEVSTJZSA-N	373.836	3.838	50	1	FHGF	
C[C@H](Br)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587538313	PADLLATXNCLKKP-NCHVAJSOSA-N	363.207	3.896	50	1	FHGF	
COc1cccc(SSc2cccc(OC)c2C(=O)O)c1C(=O)O	1620383	WUNQJVLDYBSFTF-UHFFFAOYSA-N	366.416	3.900	50	1	FHGF	
CN(C(=O)Cc1ccc(N=C=S)cc1)[C@H]1CCCC[C@@H]1N1CCCC1	40504063	QNXAPTVJOCKJHU-OALUTQOASA-N	357.523	3.829	50	1	FHGF	
CN(C)CCSSCCCNC(=O)c1cc2ccccc2cc1O	618007681	FACHYTFDJKOBSG-UHFFFAOYSA-N	364.536	3.608	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCOCC1	587545222	QDJWSHRIEFESGP-XLIONFOSSA-N	374.820	3.758	50	1	FHGF	
CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=C\C#N)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O	1772657490	YDLSCFILSJHEPL-XEERSMPTSA-N	357.494	3.644	50	1	FHGF	
Cc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1	863665	UYELZUDQVMJDNL-CIAFOILYSA-N	352.825	3.906	50	1	FHGF	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1	103174582	FGZMXYLFCGIPGQ-HYARGMPZSA-N	373.368	3.590	50	1	FHGF	
COC(=O)c1cc(Br)c2[nH]c([C@H](Cl)CCl)nc2c1	587009264	YWPQVFWDBUQGJR-SSDOTTSWSA-N	352.015	3.631	50	1	FHGF	
Cc1nn(-c2ccccc2)c2nc(CCl)n(Cc3ccccc3)c(=O)c12	653823181	WCNLLNDBSXSPSJ-UHFFFAOYSA-N	364.836	3.678	50	1	FHGF	
C[C@H]1Oc2ccccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21	1772637475	YUIJUNOYHFSARB-GUBGCDQNSA-N	359.425	3.832	50	1	FHGF	
O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\CBr)[nH]c21	586972948	CZJOZWBPILLVAA-UTCJRWHESA-N	367.202	3.746	50	1	FHGF	
COC(=O)c1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1	3181309	MJEXJPHKXCEERW-UHFFFAOYSA-N	352.326	3.781	50	1	FHGF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1nnc(-c3ccccc3)o1)O2	587373884	TZCUVKJTSAONQT-LJQANCHMSA-N	369.808	3.727	50	1	FHGF	
N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)Nc3ccccc3)CCC2)cc1	147420496	LSWVITBZVCJATA-PJQLUOCWSA-N	366.442	3.558	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O	587418159	SBAGVZRMDWXCSX-JXFKEZNVSA-N	371.820	3.535	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)Cl)(c1c[nH]c3ccccc13)O2	587372213	KAZSWBFJMFUTKX-LJQANCHMSA-N	354.793	3.685	50	1	FHGF	
Cc1c(Br)cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1C	586906261	AFAKCBSIOHMPFZ-UHFFFAOYSA-N	371.190	3.920	50	1	FHGF	
O=C(NNc1ccccc1C(F)(F)F)C12C3[C@H]4C=C[C@H]1[C@@H]4[C@H]1[C@H]3C=C[C@H]12	1772628786	JXPMRNDEYMUUAN-ARNNJTFDSA-N	358.363	3.629	50	1	FHGF	
NNC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1	587955526	MIXVASUFUCGPHV-GOSISDBHSA-N	356.429	3.541	50	1	FHGF	
C[C@@H](O[P@](N)(=O)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1	64527044	QIJPHCXXSPFIMF-STFLBKPXSA-N	370.173	3.519	50	1	FHGF	
Cc1cccc2oc(=O)cc(OC/C=C(\CO)C/C=C/C(C)(C)OO)c12	238754761	WMJSNQVQXMQXJZ-QTJUQDGQSA-N	360.406	3.613	50	1	FHGF	
C[C@]1(c2ccc(CBr)cc2)c2ccsc2CCN1C(N)=O	962705848	HJHSDQVLCJTGJK-INIZCTEOSA-N	365.296	3.843	50	1	FHGF	
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccncc2)n1	13647745	NOGTXAOWPCAFHN-NBVRZTHBSA-N	358.430	3.894	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(Cc1ccccc1)O2	587376938	YWORMSPLNAHONW-SFHVURJKSA-N	360.251	3.919	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(CCc3ccccc3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	169371582	COPFMDWZDDWXEP-MWOAHSQXSA-N	371.477	3.677	50	1	FHGF	
CCO/C=C(\C#N)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	587732333	LEDAHPSOACLMCN-POANDZOMSA-N	353.235	3.782	50	1	FHGF	
CC(C)(C)OC(=O)N1CCC(SC(=O)NCCCCN=C=S)CC1	1857562818	LXDGLGDCZWJCRD-UHFFFAOYSA-N	373.544	3.712	50	1	FHGF	
CO[C@@H]1[C@H](C=C(C)C)C=C(C=O)[C@@H]2CC[C@@]3(C)C[C@@](OC)(CC[C@H]3O)[C@H]21	2356548803	FZXYEBOZWVGXJG-MBBFQREYSA-N	362.510	3.685	50	1	FHGF	
Cc1cc2oc(=O)cc(CC(=O)N/N=C/c3ccc(Cl)cc3)c2cc1C	40916361	DJPVSAASAYNNNW-SSDVNMTOSA-N	368.820	3.756	50	1	FHGF	
CC1=C(c2ccc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3c2)NNC(=O)C1	587188508	UMQPUFBPYNUKBY-LICLKQGHSA-N	369.428	3.691	50	1	FHGF	
CCCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@H]1C	43815892	DNGRLEKYBFBPEF-SPGGGKMGSA-N	351.535	3.873	50	1	FHGF	
O=C(NNC(=S)Nc1ccccc1)C1=C(Cl)c2ccccc2CCC1	299864384	MJKBUTUCUSOWTD-UHFFFAOYSA-N	371.893	3.991	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)CCl)c1)O2	587374242	VIGZVYWIFCPJPV-IBGZPJMESA-N	358.825	3.635	50	1	FHGF	
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O	85534363	PVTQTOGPOPGQGE-SAMSIYEGSA-N	350.455	3.796	50	1	FHGF	in-vitro
CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@@H](N=[N+]=[N-])[C@@H]1Br	49113088	FQRCSIMCSMHAAS-YGRLFVJLSA-N	362.183	3.571	50	1	FHGF	
CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@@H]2C[Si](C)(C)C	195135936	OWRZJKGNIFIYSX-IZPLOLCNSA-N	358.551	3.549	50	1	FHGF	
Cc1ccc(/C=C(\C#N)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1	587187503	HWJGCAIVWSERBT-XDHOZWIPSA-N	358.445	3.768	50	1	FHGF	
COc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2c(F)cccc2C[C@@H]2CCCN21	963104618	LYLOCNQSFORJCO-AOMKIAJQSA-N	365.404	3.574	50	1	FHGF	
O=C(N/N=C1\C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1	103219666	YKIJJCUGFCXVEI-GFMRDNFCSA-N	373.387	3.507	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@@](C)(Cl)[C@@H](Br)C1	2356488918	DCHVPEBIMVAEJJ-BARDWOONSA-N	351.712	3.936	50	1	FHGF	
Clc1c(Br)cnc2[nH]c(/C=C\CBr)nc12	586972517	VRWNAPFIAIRWHQ-UPHRSURJSA-N	351.429	3.782	50	1	FHGF	
CC1(C)CC[C@H](Cl)[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12	962668718	PKRIYOMZXURHTL-ZLGUVYLKSA-N	372.896	3.956	50	1	FHGF	
C[C@H](c1ccc(CBr)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	586974436	WPELLAHZTKWQTR-SECBINFHSA-N	361.199	3.913	50	1	FHGF	
CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccccn4)[C@]13OO2	43620464	GCBSDWINMZDELA-JVJLKXRTSA-N	363.454	3.604	50	1	FHGF	
COC(=O)c1cc2[nH]c([C@@H](Br)C(C)(C)F)nc2cc1OC	587086980	KRUDQRDAKQGBDH-LLVKDONJSA-N	359.195	3.542	50	1	FHGF	
CN(C)C(=O)c1ccc2c(c1)[C@H](c1cccc(CBr)c1)NCC2	962924397	JXGVXQSTSGPQRV-SFHVURJKSA-N	373.294	3.518	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CC(=O)O)cc1)([C@@H](C)Cl)O2	587373047	PFQGVMYUUHZSRC-ODXCJYRJSA-N	373.836	3.692	50	1	FHGF	
C[C@@H](c1ccc(CBr)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1	586973275	HDSUBTALBXMRRX-VIFPVBQESA-N	361.199	3.913	50	1	FHGF	
N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]12CCC(=O)[C@H]2Cl	963200706	FNIXXKJBJCBUGX-NRSPTQNISA-N	350.849	3.975	50	1	FHGF	
CCN(CCCl)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	3779705	KXAHVZWNLQSGOP-LJQANCHMSA-N	357.881	3.849	50	1	FHGF	
C#CCC=C[C@@H]1O[C@H]([C@@H](Br)CC=CCC)C[C@@H]1OC(C)=O	2356722997	WQGFWXLZHZPRSS-QAETUUGQSA-N	355.272	3.775	50	1	FHGF	
CCS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1	587188762	WFTXHXSWZSRRCW-XNTDXEJSSA-N	351.431	3.729	50	1	FHGF	
COc1cc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc(OC)c1	49722627	IBCNGCWXJWSCOQ-IBGZPJMESA-N	363.454	3.524	50	1	FHGF	
C[C@@H](C(=O)NNC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1	84604002	HONYQNRAZMBRRZ-OAHLLOKOSA-N	367.449	3.855	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)nc1	587887184	DHZWNMWEGRCTIT-UHFFFAOYSA-N	367.663	3.838	50	1	FHGF	
Cc1oncc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587542381	GZDFQUVSCBSLER-LPHOPBHVSA-N	371.776	3.785	50	1	FHGF	
CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1cccs1	103204032	ASURNIJTHYPQFB-RGVLZGJSSA-N	363.870	3.695	50	1	FHGF	
CN[C@@H](c1ccc(/C=C/C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1	169350568	MQCLJWQFLZBJRK-ATKOVBFVSA-N	366.428	3.937	50	1	FHGF	
COc1ccc(/C=C/C(=O)c2ccc(NC(=O)CBr)cc2)cc1	73198619	XIJVTXFMNWPNQH-NYYWCZLTSA-N	374.234	3.925	50	1	FHGF	
Cc1ccsc1/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O	95809046	PWFRBXFIBBSHEJ-DEDYPNTBSA-N	373.478	3.801	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(C)cc1)[C@@H](C2)C3=O	587449650	QMANTJVIEMMSIO-JXFKEZNVSA-N	351.427	3.861	50	1	FHGF	
C=C(C)[C@@H](CCC(=CCOc1cc(=O)oc2cccc(C)c12)CO)OO	2356474925	IYTCEJNETYVSPC-MRXNPFEDSA-N	360.406	3.613	50	1	FHGF	
CCCCC(Br)(Br)[C@H]1O[C@@H]1Br	13379399	KNBWKACANPXXPL-WDSKDSINSA-N	350.876	3.783	50	1	FHGF	biogenic
COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)cnc2[nH]1	586971734	XCNSIVSEQBEIOI-MRVPVSSYSA-N	352.154	3.838	50	1	FHGF	
Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccc(Cl)cc3)cc(=O)oc12	40981092	YSZGDOGFUDTYEJ-SSDVNMTOSA-N	368.820	3.756	50	1	FHGF	
COc1cccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)c1	72110037	OQPJLQUXTFLDMT-CIAFOILYSA-N	365.458	3.794	50	1	FHGF	
Cc1cccc(-n2cc([C@@]3(CCl)NCCc4cc(Cl)ccc43)nn2)c1	963377720	DGJYOLTZCWBXEA-IBGZPJMESA-N	373.287	3.857	50	1	FHGF	
CC(=O)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1	27633270	RVGFAGHJOWDELH-UHFFFAOYSA-N	374.618	3.569	50	1	FHGF	
N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]12CCC(=O)[C@H]2Cl	963200704	FNIXXKJBJCBUGX-HMXCVIKNSA-N	350.849	3.975	50	1	FHGF	
C=C(C)[C@H](CCC(=CCOc1cc(=O)oc2cccc(C)c12)CO)OO	2356474924	IYTCEJNETYVSPC-INIZCTEOSA-N	360.406	3.613	50	1	FHGF	
CCOC(=O)[C@@]1(C/C=C/CBr)CCc2ccccc2C1=O	1860184	TXJJDQQYUDEENI-RTRPANQVSA-N	351.240	3.706	50	1	FHGF	
C=C1[C@@H](OO)CC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C	238787260	HKYMFIOAZKZMJH-MOSDKIRPSA-N	350.455	3.835	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CC(=O)O)cc1)([C@H](C)Cl)O2	587373044	PFQGVMYUUHZSRC-FKIZINRSSA-N	373.836	3.692	50	1	FHGF	
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(O)cc(O)c3)ccc21	15934110	NWKHKACZHWUEOR-WSDLNYQXSA-N	359.385	3.507	50	3	FHGF	
CN1C(=O)C[C@@H]2CN[C@H](c3cccc(OCCCCl)c3)c3cccc1c32	963030475	QXFOOEZJYOORAH-QVKFZJNVSA-N	370.880	3.837	50	1	FHGF	
CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(Cl)cc2)cc1	96933732	MOXPCRBYYVXJAH-VHEBQXMUSA-O	351.817	3.551	50	1	FHGF	
N#C/C=C/c1ccc([C@H](NO)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1	169350436	ZZSBZTAEOWXJIS-ZGTHZTNPSA-N	368.400	3.697	50	1	FHGF	
C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)CC[C@@H]1OO	2356386720	UBJSKQKLIONSSE-XLAORIBOSA-N	362.422	3.507	50	1	FHGF	
C=C(C)[C@H](C[C@@H](O)C(C)=CCOc1cc(=O)oc2cccc(C)c12)OO	2356658309	NKPVHABUNKIXAV-WBVHZDCISA-N	360.406	3.612	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@H]1OC(C)=O	2356795093	IHNQKSPJGWMDCR-NXOAAHMSSA-N	355.272	3.775	50	1	FHGF	
C[C@@H]1CC[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	195247928	UPDJPXJSQCFMLW-ZSBOHZQESA-N	357.450	3.635	50	1	FHGF	
COCCCN1CCc2ccc(OC)cc2[C@@]1(C)CCCBr	961316970	DSNGFNYNFWOTOZ-GOSISDBHSA-N	370.331	3.980	50	1	FHGF	
Cn1c2ccccc2c2cc(/C=N\NC(=O)c3cc(O)cc(O)c3)ccc21	61969215	NWKHKACZHWUEOR-UUYOSTAYSA-N	359.385	3.507	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	101311121	GTWREXBWRJAYAW-XUCAVHRUSA-N	366.376	3.773	50	1	FHGF	
CC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=C[C@H](OC(=O)C=Cc3ccccc3)[C@@H]12	2356324924	MBSDPPCRLFNZBS-DXKRWKNPSA-N	368.473	3.944	50	1	FHGF	
CC1=CCC[C@]2(C)O[C@@H]2C[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)[C@@]2(O)CCl	2356522908	YFHXUIYDACZSAY-RISVGRPXSA-N	368.901	3.902	50	1	FHGF	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(S(=O)(=O)O)cc1	103229838	JAJCWADBXZGGSD-GFCCVEGCSA-N	361.510	3.586	50	1	FHGF	
O=C(CBr)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12	587637242	YKLDOHFMFDBBNN-UHFFFAOYSA-N	373.206	3.867	50	1	FHGF	
O=C(N/N=C/c1ccc(Cl)cc1)c1c[nH]c2ccc(Cl)cc2c1=O	1857749206	MWYOWMQUKNEDIS-ODCIPOBUSA-N	360.200	3.599	50	1	FHGF	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cccc(C)c2nc1Cl	883050	LMFHEKISBFYIEW-INIZCTEOSA-N	353.809	3.867	50	3	FHGF	
C#C/C=C\C[C@H](OC(C)=O)[C@@H]1CC=CC[C@H]([C@@H](Br)CC)O1	238733637	OELZRAJPVXSYFO-PPLLAWBQSA-N	355.272	3.775	50	1	FHGF	
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	261506656	RNSISAJHBSCDGC-DBXHCDBRSA-N	362.897	3.832	50	1	FHGF	
C[C@H]([C@@H](O)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1	110322993	ICBOYFKPRKHWSC-XMSQKQJNSA-N	365.413	3.969	50	1	FHGF	biogenic
BrC/C=C\c1nc2cccc(I)c2[nH]1	586974154	RLBASTFYUXNUQJ-DJWKRKHSSA-N	362.996	3.576	50	1	FHGF	
COc1cc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)ccc1O	695365	MVISFCQPDCVRRF-YDZHTSKRSA-N	374.396	3.789	50	1	FHGF	
C[Si](C)(C)Oc1nc(O[Si](C)(C)C)c2c(ncn2[Si](C)(C)C)n1	196016937	RQUWKIAIWSIBNW-UHFFFAOYSA-N	368.662	3.937	50	1	FHGF	in-vitro
C=C(C)[C@@H](O)CCC(=C)[C@@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1	36472094	KCTBLUZWVXTOET-ZQDZILKHSA-N	351.712	3.936	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@H](Cl)C2	2356401552	IWLYVKVOGXYQCU-XXUMUBMXSA-N	351.712	3.626	50	1	FHGF	
CO[C@@]1(C(F)(F)F)O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3	100841364	HBICENKVYWSSQP-FAWXGMMZSA-N	366.376	3.773	50	1	FHGF	
O=C(N/N=C1\C(=O)N(CC2CCCCC2)c2ccccc21)c1ccccc1	40380322	HTPDZRIIOLCPPS-ATJXCDBQSA-N	361.445	3.748	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]13	2356396364	IZEWXSNCLIVJKF-UYUGCGKESA-N	360.494	3.668	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100865866	UPDJPXJSQCFMLW-DFZZAROHSA-N	357.450	3.635	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccn(C)c2)N1	587682641	DEEZWOHHCGRAOS-QLJPJBMISA-N	371.681	3.943	50	1	FHGF	
C/C(=N\NC(=O)c1ccc(Br)cc1O)c1cc2ccccc2[nH]1	95559378	FAYVUBWXRWAFBL-KEBDBYFISA-N	372.222	3.790	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc(CCl)c1O)O2	587377330	WISGSUZLDFJFIQ-OAHLLOKOSA-N	362.769	3.636	50	1	FHGF	
CS(=O)(=O)c1ccc2[nH]c(-c3cc(F)ccc3O)c(CCCl)c2c1	587648898	CICIIKXXZMLUFS-UHFFFAOYSA-N	367.829	3.864	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C(=O)Cl)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O	587418708	UZTSSJCHBLRDND-RBZFPXEDSA-N	367.788	3.585	50	1	FHGF	
Cc1ccc([C@@H](NC(=O)N2C[C@@H](C)O[C@H](C)C2)C(Cl)Cl)cc1F	5684470	HVZZCOGLJCDBBM-JTNHKYCSSA-N	363.260	3.798	50	1	FHGF	
O=C(c1ccc(N2CCCCC2)cc1)C(Br)Br	100985352	CMAJNGJRCCPVKR-UHFFFAOYSA-N	361.077	3.976	50	1	FHGF	
CCCNCC[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	103198862	MITGTGNFSFDDHX-QVNJDCLOSA-N	353.503	3.627	50	1	FHGF	
FC(F)(F)c1nc(Cl)[nH]c2nc(CCCCBr)nc1-2	586972157	ISJQOJXWOVTIMT-UHFFFAOYSA-N	357.561	3.694	50	1	FHGF	
O=C=Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587881791	BRDLQYOFOVGGRX-UHFFFAOYSA-N	359.212	3.671	50	1	FHGF	
COc1cc([C@@H]2OC(N)=C(C#N)C3=C2[C@@H](C)CCC3)cc(OC)c1OC	1652457	SUVJNRIDMSOZQY-VOJFVSQTSA-N	356.422	3.594	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(CCCCC[C@@H]1Br)[C@@H](C2)C3=O	587417417	MJNQAJVMADVLKG-RVSPLBMKSA-N	351.240	3.909	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2c(Br)ccnc2[nH]1	586970794	IXZPBRUYTMTMDD-QMMMGPOBSA-N	363.053	3.581	50	1	FHGF	
C[C@@]1(c2ccccc2NC(=O)CCCCl)NCCc2ccc(O)cc21	963328214	FCPXKNLTEIKVRX-FQEVSTJZSA-N	358.869	3.759	50	1	FHGF	
COc1ccc(C(=O)N/N=C(/C)c2ccc(N3CCCCC3)cc2)cc1	5455167	GBBKSHAUKIKCKI-JWGURIENSA-N	351.450	3.840	50	3	FHGF	
CCOC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	587688710	NIJPHBQXLGXBNC-YMTOWFKASA-N	350.659	3.593	50	1	FHGF	
CCO/C=C(\C#N)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	587732330	LEDAHPSOACLMCN-FPXYEXFZSA-N	353.235	3.782	50	1	FHGF	
CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1	587779860	HCEPGQKWBUYFDW-UHFFFAOYSA-N	372.428	3.899	50	1	FHGF	
CC(C)(C)N(NC(=O)c1cccc(C#N)c1)C(=O)c1ccccc1Cl	103179467	UZDVKFJSAQWCIC-UHFFFAOYSA-N	355.825	3.797	50	1	FHGF	
CC(=O)[C@]1(Cc2ccc(Br)cc2)CC[C@]2(C)OO[C@@]1(C)O2	473086943	IYDAURVJRQPDKP-ARFHVFGLSA-N	355.228	3.772	50	1	FHGF	
Cc1cccc([C@]2(CBr)NCCc3c2c(C(C)C)nn3C)c1	962916862	XJUYBYFBQUFSFW-SFHVURJKSA-N	362.315	3.636	50	1	FHGF	
O=c1[nH]c(Nc2cccc([C@H](Cl)C(F)(F)Cl)c2)nc2[nH]cnc12	13740070	IKHHSQLCGHNGJW-VIFPVBQESA-N	360.151	3.501	50	1	FHGF	
CCCCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	103278935	NJRGLKOSPCKXHH-LURJTMIESA-N	360.199	3.839	50	1	FHGF	
CC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1	587371087	CUKVUODJCSHZBW-IBGZPJMESA-N	358.825	3.635	50	1	FHGF	
Cc1c(O)ccc2c1[C@@H](CCCCCCBr)N[C@H](C(=O)O)C2	963488835	FYVMMXIHQXWDOT-KGLIPLIRSA-N	370.287	3.686	50	1	FHGF	
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C	261506657	RNSISAJHBSCDGC-JUYLZWBTSA-N	362.897	3.832	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](Cl)C(=O)OCC)CC2=O	587458238	IEIZVAZJSBSGFU-FUHWJXTLSA-N	354.830	3.629	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc[nH]2)N1	587686250	SXWBDDZOBPTLJW-VFZGTOFNSA-N	357.654	3.933	50	1	FHGF	
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccccn2)n1	13647789	CEGDZDZFPXLDNB-XDJHFCHBSA-N	372.457	3.936	50	1	FHGF	
Cn1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	587543654	LEQCIXBRBLIHHH-YLJYHZDGSA-N	369.804	3.827	50	1	FHGF	
N#C/C(=C/c1ccccc1)c1nc2cc(I)cnc2[nH]1	587188972	XFDBBSLORUBHGG-WDZFZDKYSA-N	372.169	3.627	50	1	FHGF	
Cn1cc(C(=O)N/N=C\c2cc(Br)cs2)c2ccccc21	12515120	BDQNAKXWAJQBRR-IDUWFGFVSA-N	362.252	3.766	50	1	FHGF	
O=N[C@@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H](Br)[C@@H]1Br	195487074	RTOAGUKGFNBCKI-RDRUWLKNSA-N	357.473	3.542	50	1	FHGF	
COc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587416998	HSIPBGAMSYIHBR-RBOBLBHYSA-N	358.821	3.974	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]13	2356396362	IZEWXSNCLIVJKF-NKFQRGCASA-N	360.494	3.668	50	1	FHGF	
CCO/C=C(\C#N)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587567979	GJYCWVQWWXFZNH-VZIBSNAFSA-N	351.358	3.556	50	1	FHGF	
CC(C)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN	5501083	IWTVSCLZMFXYHC-SFHVURJKSA-N	366.490	3.850	50	1	FHGF	
Cc1ccc([N+](=O)[O-])cc1/N=N/C(=O)NNc1cc([N+](=O)[O-])ccc1C	18088183	OOIUTEXINAJKQP-HTXNQAPBSA-N	358.314	3.940	50	1	FHGF	
CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1	40379785	YFSNALWVAVFAIK-HXUWFJFHSA-N	359.429	3.571	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)COC4)[C@@H](C2)C3=O	587417721	PFJAJDDARGJPJJ-OXJNMPFZSA-N	356.805	3.607	50	1	FHGF	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1	1659580	DURODBNPDPDHDB-CXUHLZMHSA-N	363.171	3.513	50	1	FHGF	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1	58506758	QOVKFJDTOZILGN-LPYMAVHISA-N	356.385	3.699	50	1	FHGF	
COc1ccc(Cl)c2c1CCN[C@@H]2c1c(C)nn(CCCl)c1C	963256868	GFZHYMXLMQXWNI-QGZVFWFLSA-N	354.281	3.636	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CC(=O)O)cc1)([C@H](C)Cl)O2	587373048	PFQGVMYUUHZSRC-YUNKPMOVSA-N	373.836	3.692	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(O)cc1)O2	587375582	UNUQTEFIYCSKRT-KRWDZBQOSA-N	362.223	3.538	50	1	FHGF	
COCCN(C(=O)CCl)C(=C(C)C)c1ccc(Br)s1	103198688	KNRXQWHBEUSARE-UHFFFAOYSA-N	366.708	3.975	50	1	FHGF	
CCOc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587417739	PNMIGQQMLLQUNH-UZLBHIALSA-N	358.821	3.976	50	1	FHGF	
CN(C)CCSSCCNC(=O)c1ccc(Cl)c(Cl)c1	618007945	NYKNXIPRYKDLPP-UHFFFAOYSA-N	353.340	3.666	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	587009372	BZXNNYSFQLKHMX-UHFFFAOYSA-N	354.159	3.825	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccccc1F)[C@@H](C2)C3=O	587426093	KQSDCJDJEDVEOJ-IFXJQAMLSA-N	355.390	3.691	50	1	FHGF	
CC(C)Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1	5130277	KALTZNCIACZJME-SFHVURJKSA-N	371.444	3.888	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3cccs3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	195226944	PJBPRSMZQDWWIQ-BUPZNWHISA-N	363.479	3.946	50	1	FHGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccn(C)c2)N1	587682639	DEEZWOHHCGRAOS-QFYYESIMSA-N	371.681	3.943	50	1	FHGF	
O=C/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587883803	YTTHAOHLKZRZQB-DUXPYHPUSA-N	372.251	3.916	50	1	FHGF	
CCCCCCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	299829930	IFAXWSJZDRZZLV-HNNXBMFYSA-N	360.439	3.997	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O	587425750	HBRKHGFJJRFBOA-KPZWWZAWSA-N	350.748	3.855	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cocn2)N1	587684775	MIFKZGUODRUFLE-XLKFXECMSA-N	359.626	3.593	50	1	FHGF	
CCOC(=O)NNc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)OCC	40407417	PZWGINIWZJSZGH-UHFFFAOYSA-N	351.790	3.585	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)/C(C#N)=C/N(C)C	587901467	DTLWOUAHTKBEPY-SAPNQHFASA-N	364.832	3.900	50	1	FHGF	
CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@@H]2COCc1ccc(F)cc1	101378442	ZFFJFRZPCFASGQ-CJGGRQNCSA-N	366.429	3.958	50	1	FHGF	
CC(C)[C@@]12C=C[C@](C)(O)CC=C[C@@](C)(OO)CCC=C(CC1)C(=O)O2	2356382749	MTLYMLXKPBANDE-AABGKKOBSA-N	350.455	3.940	50	1	FHGF	
COc1cc2c3c(c1)O[C@H](c1cc(CCl)c4c(c1)COCO4)[C@@H](C2)C3=O	587422641	QYWRTIMMWAHUSU-MGPUTAFESA-N	372.804	3.789	50	1	FHGF	
CC=CCCC(=O)O[C@@H]1C=CC2=CC(=O)[C@H](C(C=O)=COC)C[C@@]2(C)[C@@H]1C	2356328507	WQQJVNUUYPMYIA-NITZCXFCSA-N	372.461	3.711	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)CC=CC[C@@H]1OC(C)=O	2356795095	IHNQKSPJGWMDCR-QZWWFDLISA-N	355.272	3.775	50	1	FHGF	
O=C(N/N=C/c1ccccn1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1	653754300	DFBUVHYDHGAZEA-ZVHZXABRSA-N	369.380	3.619	50	1	FHGF	
COc1ccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(OC)c1	7077906	JIHDPLIJEANSDF-VYSIOYBTSA-N	371.264	3.745	50	3	FHGF	
CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1-c1cccnc1	1857752520	VUQLPRQRJRVGHY-UHFFFAOYSA-N	373.419	3.708	50	1	FHGF	
CC(=O)OC[C@]1(C)C[C@](Br)(CCl)[C@@H](Cl)C[C@H]1Cl	2356795607	MHQSTQDPTAQKDO-RCWTZXSCSA-N	366.510	3.937	50	1	FHGF	
C=C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CBr	587875506	WHYNGHDKFJXKOP-UHFFFAOYSA-N	361.066	3.607	50	1	FHGF	
CCC[C@H](C=O)CCCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1	203525567	QQYFKIURAPUULW-LSTDLKDCSA-N	358.475	3.815	50	1	FHGF	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccnc(CCl)n2)cc1	587941391	UPLYEVYTFMDSDF-UHFFFAOYSA-N	371.824	3.699	50	1	FHGF	
COC(C)(C)[C@@]1(CBr)c2c(F)cccc2C[C@@H]2CCCN21	963103495	LLAOELADAAGPRE-SUMWQHHRSA-N	356.279	3.861	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(Cc3ccccc3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43397028	UPDJPXJSQCFMLW-UUFHMWEXSA-N	357.450	3.635	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)CCCl	587544949	PSLUXRLWYLHSKO-YOEHRIQHSA-N	353.201	3.960	50	1	FHGF	
Clc1ncc(Br)c2nc(/C=C\CBr)[nH]c12	586972177	JRCJSBFFBQYHEH-UPHRSURJSA-N	351.429	3.782	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	587009828	VGVLDHWDRCHYKZ-UHFFFAOYSA-N	370.158	3.705	50	1	FHGF	
C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)O[C@@H]1O	2356404219	HKYMFIOAZKZMJH-RJIADFKSSA-N	350.455	3.835	50	1	FHGF	
CN1CCN(C2=Nc3ccc(Cl)cc3/C(=C/C#N)c3ccccc32)CC1	40662975	OEUWQJGFVPUSQU-CAOOACKPSA-N	362.864	3.934	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C/N(C)C)(c1ccc(F)cc1)O2	587384576	MTQYHIXHOZBKHK-NKSQBSFPSA-N	365.408	3.546	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)CCC[C@@H]1Br	587459343	OIBADXILHWYSGQ-YOEHRIQHSA-N	367.239	3.565	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc(C(=O)NN)c2ccccc12	587910249	RIHBOIPMGRTODB-UHFFFAOYSA-N	350.805	3.505	50	1	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@](C)(C=CC(=O)C(C)(C)CCCC(C)=O)OO1	2356793456	HFYOIPHYKALCPH-GQIGUUNPSA-N	368.470	3.576	50	1	FHGF	
COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	13780610	YXZXPVVACNDDOT-VGOFMYFVSA-N	370.361	3.693	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	586971582	UATFBLLCIKTXEU-SNVBAGLBSA-N	363.158	3.745	50	1	FHGF	
CCOC(=O)[C@@H](Cl)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(C)C	587648592	CADKNWDQVKUMBY-AWEZNQCLSA-N	357.859	3.538	50	1	FHGF	
COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(C(=O)Cl)cc1	963063004	YTNAGKYYDYMUMS-GOSISDBHSA-N	352.821	3.858	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C1=C[C@@]3(C(C)C)CC[C@@]12OO3	2356473617	LBHNBCSSFWFWIR-JOZSIVFUSA-N	362.466	3.761	50	1	FHGF	
COC(C)(C)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	587689703	VBWDRPWLLCQZFQ-PSLIRLAXSA-N	364.686	3.982	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(F)cc1)[C@@H](C2)C3=O	587428060	LSCGEHUFZJIQBY-KXBFYZLASA-N	355.390	3.691	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CC)([C@H](Cl)C(=O)OCC)CC2=O	587458237	IEIZVAZJSBSGFU-AEFFLSMTSA-N	354.830	3.629	50	1	FHGF	
COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CC=C2C(C)(C)CCC[C@]2(C)O)OO1	2356808258	YPJYPALXYRADAE-QBTDHISASA-N	354.487	3.942	50	1	FHGF	
C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)CCOC2(CCCC2)OO1	43552946	SIQYXGZAQVGLHC-OAHLLOKOSA-N	360.859	3.511	50	1	FHGF	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(O)cc1	4146849	IJBPEPLEORFLDU-HNNXBMFYSA-N	364.792	3.654	50	1	FHGF	
C#C/C=C/C[C@@H](OC(C)=O)[C@H]1CC=CC[C@H](Br)[C@@H](CC)O1	5651217	ZFYWONYUPVGTQJ-CQMVZNLDSA-N	355.272	3.775	50	1	FHGF	
C=C(CCCC(C)(C)O)C(=O)CC[C@@]1(C)CC[C@@H]([C@H](C)C(=O)OC)OO1	49881502	VQXVFFWQWCQNFB-KNBMTAEXSA-N	370.486	3.512	50	1	FHGF	
O=C(Nc1ccccc1C(=O)N/N=C\c1ccco1)c1ccc(Cl)cc1	13136946	QLTLQGOFEDVXSJ-MTJSOVHGSA-N	367.792	3.949	50	1	FHGF	
O=C(N/N=C\c1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1	33337301	UGCVCPZPXFXGRD-NKVSQWTQSA-N	372.837	3.534	50	1	FHGF	
CCCn1nc(-c2cn(Cc3ccccc3)c3ccccc23)cc1C(=O)NN	73141590	PUVBKHFKBHIXSO-UHFFFAOYSA-N	373.460	3.567	50	1	FHGF	
NC(=S)/N=N\c1c(O)n(CCCl)c2ccc(Br)cc12	102571729	XNUZMEQKCDAJPC-NXVVXOECSA-N	361.652	3.676	50	1	FHGF	
C[C@]1(c2cc(Cl)cc(CCl)c2O)NCCc2c(C(=O)O)cccc21	963136112	YGXQQPZTPSOQPU-SFHVURJKSA-N	366.244	3.892	50	1	FHGF	
ClC[C@@]1(c2ccc3c(c2)CCCC3)NCCc2nc3ccccn3c21	962987156	UWBMKCVWLJRUAE-NRFANRHFSA-N	351.881	3.841	50	1	FHGF	
COc1cc(OC)cc(/C(=C/C#N)c2ccc(OC)c(NC(C)=O)c2)c1	73156270	YPKFRAHOUNLTKO-CNHKJKLMSA-N	352.390	3.626	50	1	FHGF	
CCOC(=O)C[C@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21	961614281	KIKDSUYPLKFSBW-MRXNPFEDSA-N	372.690	3.515	50	1	FHGF	
CN(C)c1ccc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc1	1659592	HUUJBNDZDNOEST-WOJGMQOQSA-N	361.243	3.671	50	1	FHGF	
N#CC(=C(/N)Sc1ccccc1)/C(C#N)=C(\N)Sc1ccccc1	2391793	BDLRGKKVJJEYLC-YTEMWHBBSA-N	350.472	3.959	50	1	FHGF	in-vitro
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccoc2)c1	38145371	VHIMEGWBMFCINX-YTVAGWOFSA-N	363.442	3.887	50	1	FHGF	
O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1	103228877	IGPPSBIMITZAFY-QQTULTPQSA-N	350.381	3.793	50	1	FHGF	
CCOC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	44221271	WXXNZEZUHGZFHP-UHFFFAOYSA-N	365.470	3.750	50	1	FHGF	
CN(C)C(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587102869	ZWVIXNRRELGPES-SFHVURJKSA-N	350.805	3.814	50	1	FHGF	
C[C@@H]1CC[C@@H]2CC(=O)O[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23OO4	195245794	NEGWVKPKTURHQB-FMHVOVLGSA-N	358.434	3.762	50	1	FHGF	
CN(C)CCSSCCCNC(=O)c1cc2ccccc2s1	618012691	XCTJQECBPGUTLF-UHFFFAOYSA-N	354.566	3.964	50	1	FHGF	
COc1cc2c3c(c1)O[C@](C)(c1csc(C(=O)CCl)c1)[C@@H](C2)C3=O	587452861	PVSRPDMQSOZPTI-KPZWWZAWSA-N	362.834	3.841	50	1	FHGF	
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(CO)[C@@H]4CC[C@@]13C=C2C=O	2356403436	JJNDASAEWOQLIM-BSZVOWMXSA-N	360.494	3.668	50	1	FHGF	
C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	13133160	PLSCEPOTBTYOKW-QRVIBDJDSA-N	365.364	3.825	50	3	FHGF	
CCCCC[C@H](C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O)OO	2356853479	RGQICUMNQVAHES-VXIBKDFQSA-N	368.470	3.748	50	1	FHGF	
COc1ccc(-c2cn(CCCSSCCN(C)C)nn2)c(C)c1	618010361	VFRIKZFPNZKGQM-UHFFFAOYSA-N	366.556	3.595	50	1	FHGF	
O=C(c1ccc(OCCCBr)c([N+](=O)[O-])c1)C(Cl)Cl	1857765908	DKZZGBBTCRVSEF-UHFFFAOYSA-N	371.014	3.745	50	1	FHGF	
COC(=O)c1nc2ccc(O)c3c2c(c1CCCl)-c1ccccc1C3=O	586984707	AVPBMNNNBCSVIA-UHFFFAOYSA-N	367.788	3.720	50	1	FHGF	
CCOCCOC(=O)/C(C#N)=C(/CC)NNc1cccc(Cl)c1Cl	40846090	ZVZBWKAVMPUJMY-QBFSEMIESA-N	372.252	3.677	50	1	FHGF	
CCO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](Cl)[C@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12	13651536	VQLNYAXIYCOFEK-JHQBWLJPSA-N	350.886	3.842	50	1	FHGF	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](Br)[C@H]2O	25964689	ICCJJRSEGGYXMX-PNVOZDDCSA-N	351.284	3.983	50	1	FHGF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CCl)s1	587897708	QALWKCNTIFGFMM-UHFFFAOYSA-N	373.692	3.899	50	1	FHGF	
CCOC(=O)Cc1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1	586971478	SQSSBQVZYQYZRA-AWEZNQCLSA-N	369.259	3.530	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4[nH]c(O)cc4c1)[C@@H](C2)C3=O	587419606	FIMQFPIYFZLYKC-XOBRGWDASA-N	369.804	3.764	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O	587425751	HBRKHGFJJRFBOA-SGTLLEGYSA-N	350.748	3.855	50	1	FHGF	
C=C(CCCC(C)=O)[C@H](C=O)[C@@H](CC(=O)OC)C(C=O)=CCC=C(C)C	2356416123	JPHSEWDOTZQMCS-PMACEKPBSA-N	362.466	3.778	50	1	FHGF	
CCC=CC[C@H](O)C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)O	2356444244	PVTQTOGPOPGQGE-ZWJWXYIHSA-N	350.455	3.796	50	1	FHGF	
CO[C@@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCCC2)OO1	38158550	SODDKVRRHAFVRO-SFHVURJKSA-N	352.452	3.500	50	1	FHGF	
COC(C)(C)[C@@]1(CBr)c2c(F)cccc2C[C@H]2CCCN21	963103481	LLAOELADAAGPRE-CXAGYDPISA-N	356.279	3.861	50	1	FHGF	
COc1ccc2c(c1)[C@](C)([C@H](Cl)C(=O)C(F)(F)F)N(C(C)C)CC2	962089887	ICLIGVHYBTXBHN-GDBMZVCRSA-N	363.807	3.916	50	1	FHGF	
CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(F)c2)c(C(=O)OC)c1	101459819	NNRXCZHMINPEMX-ZCXUNETKSA-N	368.364	3.963	50	1	FHGF	
C=CCn1c(SC/C(O)=C(\C#N)C(C)=N)nc2sc(CC)cc2c1=O	103109264	PSYIMYGHEYNDII-LMBBQFTFSA-N	374.491	3.674	50	1	FHGF	
CC1=CCC[C@]2(C)O[C@@H]2C[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@]2(O)CCl	2356522909	YFHXUIYDACZSAY-YSDSKTICSA-N	368.901	3.902	50	1	FHGF	
CCCCC(Br)(Br)[C@H]1O[C@H]1Br	13379397	KNBWKACANPXXPL-NTSWFWBYSA-N	350.876	3.783	50	1	FHGF	biogenic
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(F)cc1)[C@@H](C2)C3=O	587428058	LSCGEHUFZJIQBY-HNAYVOBHSA-N	355.390	3.691	50	1	FHGF	
COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	13780600	YXZXPVVACNDDOT-AUWJEWJLSA-N	370.361	3.693	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCBr	587537924	LQJAXMAJHQQVBE-UKRRQHHQSA-N	363.207	3.898	50	1	FHGF	
Cc1nc(-c2cccc(CN(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)c2)no1	95571550	BRFVQHAKELCITF-UHFFFAOYSA-N	368.349	3.584	50	3	FHGF	
CC=C1C[N@@+]2(CCl)[C@H]3C[C@H]1[C@H](CO)[C@H]2Cc1c3n(C)c2ccccc12	2356359855	UIEKHYIYGGOXQK-RFYUBQRZSA-N	357.905	3.746	50	1	FHGF	
C=C(C)[C@@H](Cc1c(OC)c(OC)cc2nc3occc3c(OC)c12)OO	138808027	MRKQYOQWEZMVCX-CQSZACIVSA-N	359.378	3.984	50	1	FHGF	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@@H]1c1cccs1	2500570	ROVBXPSNJAEJFL-SFHVURJKSA-N	372.453	3.813	50	1	FHGF	
CCOC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587326084	JOZKIWWOPLGHNG-MJGOQNOKSA-N	364.800	3.904	50	1	FHGF	
O=C[C@H](Br)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586983972	FMNJSUBWTLQGJP-LBPRGKRZSA-N	368.186	3.787	50	1	FHGF	
CCN(CC)c1ccc(NC(=O)CCSSCCN(C)C)cc1	618007896	UBUKMOMUEBADSX-UHFFFAOYSA-N	355.573	3.804	50	1	FHGF	
O=C(CCl)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1	653743767	NZTKXDYABLIVOU-QGZVFWFLSA-N	366.804	3.710	50	1	FHGF	
O=C(NNc1nc(CCl)cs1)c1csc(-c2ccccc2)n1	64446602	CLSSQOTZCPQDTL-UHFFFAOYSA-N	350.856	3.762	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O	587419316	DORXBFMAEZQVLF-YWZLYKJASA-N	365.772	3.791	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1F)O2	587385950	RPSSXSJFSASOGP-KRWDZBQOSA-N	364.214	3.972	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccccn2)N1	587682816	DSFWDBUZLCDNNN-HWPZZCPQSA-N	369.665	4.000	50	1	FHGF	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2ccccn2)o1	711981	VHFWBLODEIFAPB-CIAFOILYSA-N	367.430	3.663	50	1	FHGF	
Cc1cccc([C@@]2(CBr)NCCc3c2c(C(C)C)nn3C)c1	962916859	XJUYBYFBQUFSFW-GOSISDBHSA-N	362.315	3.636	50	1	FHGF	
Cc1cccc2c(/C=C(\C#N)C(=O)N(C)c3ccccc3)cn(CC(=O)O)c12	96271111	XCXMQZGRYGOQGK-LFIBNONCSA-N	373.412	3.604	50	1	FHGF	
C[C@@H]1CC[C@@H]2CC(=O)N(CCc3ccccc3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	195311051	COPFMDWZDDWXEP-PRADGEEMSA-N	371.477	3.677	50	1	FHGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cscn1	587616312	BPIQWNMZQJHSMW-CRAIPNDOSA-N	373.817	3.945	50	1	FHGF	
CCOC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	587688707	NIJPHBQXLGXBNC-LKFCYVNXSA-N	350.659	3.593	50	1	FHGF	
CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	2356343548	RNSISAJHBSCDGC-KTEGQGMCSA-N	362.897	3.832	50	1	FHGF	
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)(C)O)[C@H](C[C@H]21)OO3	73312883	IOWHRFKVRZOMCP-UHBYSICCSA-N	364.482	3.552	50	1	FHGF	
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)(C)O)[C@H](C[C@H]21)OO3	95913664	IOWHRFKVRZOMCP-ZOLGCQAOSA-N	364.482	3.552	50	1	FHGF	biogenic,in-vitro
CCO/C=C(\C#N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587732332	LEDAHPSOACLMCN-PCJPBFTKSA-N	353.235	3.782	50	1	FHGF	
COc1ccc(C(=O)NN=C(c2ccccc2)c2ccc(OC)cc2)cc1	2356704790	IXGITYABPBTPAN-UHFFFAOYSA-N	360.413	3.886	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc(/C=C(/C#N)C(=O)O)c(F)c1	587916412	KQULSZCEJNYKBN-DHDCSXOGSA-N	355.752	3.879	50	1	FHGF	
O=[N+]([O-])c1cc(Br)cc2nc(/C=C/CBr)[nH]c12	586972068	FGLUQFOHCIMPFZ-OWOJBTEDSA-N	360.993	3.642	50	1	FHGF	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1cccs1	20238275	BXISOPKQRATYMT-HNNXBMFYSA-N	367.499	3.963	50	3	FHGF	
CC(C)Nc1ncnc2c1cnn2C[C@H](Br)c1ccccc1	13682936	KWMIYBNRHOLARC-AWEZNQCLSA-N	360.259	3.783	50	1	FHGF	
Cn1c2c(c(=O)c3ccccc31)[C@H]1[C@H](CC[C@](C)(O)[C@H]1Cl)C(C)(C)O2	2356832671	JVZQPGNKHJDEHX-WPWFQQDPSA-N	361.869	3.562	50	1	FHGF	
CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@@H]2COCc1ccc(F)cc1	38158728	ZFFJFRZPCFASGQ-OMZCVMJRSA-N	366.429	3.958	50	1	FHGF	
CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	169335779	OIFLNUATSOFJCW-QGZVFWFLSA-N	372.377	3.595	50	1	FHGF	
COc1ccc(Br)c(C(=O)N/N=C\c2cccc(Cl)c2)c1	103186206	WMEOULKCDRCLHR-NVMNQCDNSA-N	367.630	3.875	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccccn2)N1	587686641	WJVONGLLMVTIHU-QFYYESIMSA-N	369.665	4.000	50	1	FHGF	
COc1ccc2c(c1)[C@](C)([C@@H](Cl)C(=O)C(F)(F)F)N(C(C)C)CC2	962089901	ICLIGVHYBTXBHN-GOEBONIOSA-N	363.807	3.916	50	1	FHGF	
CC(=O)O[C@H]1[C@H](C(C)C)CC[C@]2(C)[C@@H]1[C@@](C)(O)CC[C@H]2Br	166189332	STGVJNXXFGCHPJ-NEXGVSGLSA-N	361.320	3.915	50	1	FHGF	
CCOC(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586985355	FXBQRHFEUFWKSP-GOSISDBHSA-N	367.788	3.995	50	1	FHGF	
O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cc([N+](=O)[O-])ccc12	587644316	UJCGDRKVXNJBMB-UHFFFAOYSA-N	369.764	3.611	50	1	FHGF	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)CCC[C@H]2Br	587500349	WKAJJFCGJQGXLM-QAPCUYQASA-N	363.251	3.786	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccnc2)c1	38145378	VZGYTIMXFWIIJM-VBIUYMIYSA-N	374.469	3.689	50	1	FHGF	
Cc1ccc2c(c1)c(/C=C(\C#N)C(=O)N(C)c1ccccc1)cn2CC(=O)O	96271113	KTVNEJPESCFMTE-LFIBNONCSA-N	373.412	3.604	50	1	FHGF	
O=C1OC(=O)c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)ccc21	586908777	VGQYFLQALMQLGA-UHFFFAOYSA-N	350.227	3.698	50	1	FHGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccn(C)c2)N1	587686233	SXIMUSQTKZGGNJ-HWPZZCPQSA-N	371.681	3.943	50	1	FHGF	
CCCCCCC(=O)Nc1ccc(C(=O)N/N=C\c2cccnc2)cc1	13133239	IWNBIQGDBOBOKO-JCMHNJIXSA-N	352.438	3.754	50	1	FHGF	
O=C(Oc1cncc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O	13557548	VZDVHJOBDNXLFM-UHFFFAOYSA-N	350.157	3.799	50	1	FHGF	
C/C(=N\O)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H](/C(C)=N/O)CC[C@H]1C)OO2	64527277	NGTCTYGSOGUMQZ-DTWBXMOISA-N	370.446	3.862	50	1	FHGF	
CO[C@H]1O[C@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@H]2C[Si](C)(C)C	195129083	OWRZJKGNIFIYSX-MULDDASSSA-N	358.551	3.549	50	1	FHGF	
Cc1cnc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2S)s1	103197819	XLWXXYWCRAPHJR-OLZOCXBDSA-N	361.879	3.984	50	1	FHGF	
CC(C)(C)N(NC(=O)c1ccc(C#N)cc1)C(=O)c1ccccc1Cl	103200375	NUWZEFGBNQLRTH-UHFFFAOYSA-N	355.825	3.797	50	1	FHGF	
CC(C)(c1ccc(S(=O)(=O)/C=C/C#N)cc1)c1nc2ccccc2[nH]1	147618721	IMLVYPZRVBDAFE-WLRTZDKTSA-N	351.431	3.700	50	1	FHGF	
O=[N+]([O-])c1c(Br)ccc2nc(/C=C\CBr)[nH]c12	586972711	ZNBGFWLWWCIISM-UPHRSURJSA-N	360.993	3.642	50	1	FHGF	
C[C@@H](Cl)C(=O)NCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587102075	OYAXVXKVLMVPBS-LLVKDONJSA-N	350.805	3.690	50	1	FHGF	
CN(C)C(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586986730	SCUQPAJVMYNHQU-GOSISDBHSA-N	366.804	3.520	50	1	FHGF	
O=C1C(O)=C([C@H](NCCCCl)c2ccccc2O)C(=O)c2ccccc21	653912125	FXHSYGLMIOXGQO-QGZVFWFLSA-N	371.820	3.543	50	1	FHGF	
N#CS/C(=C1\Nc2ccccc2N1Cc1ccc(Cl)nc1)[N+](=O)[O-]	103160039	OZAXBUPIDPVDQK-CCEZHUSRSA-N	359.798	3.785	50	1	FHGF	
C=C(C)[C@@H](Cc1c(OC)ccc(C(=O)C=Cc2ccc(O)cc2)c1O)OO	2356535455	AJERVVHSERWGFL-HXUWFJFHSA-N	370.401	3.979	50	1	FHGF	
N#CC1=C(N)OC2=C(COC/C2=C/c2cccs2)[C@H]1c1cccs1	971497	DQSMGVSLWGCJBJ-UBAGTECSSA-N	354.456	3.985	50	1	FHGF	
Cc1oncc1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	587682018	AZRNZLPSDHXLDD-VXJOIVPMSA-N	373.653	3.901	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC=CCC)C[C@H]1OC(C)=O	2356431063	BUFQJMZKMZGEFE-LUKYLMHMSA-N	355.272	3.775	50	1	FHGF	
CC(C)=CCc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O	139713187	BFDQKBYABNXUJF-UHFFFAOYSA-N	364.397	3.686	50	1	FHGF	
Br[C@H](Cn1ncc2c(N3CCCC3)ncnc21)c1ccccc1	13682958	DQXUUKNQWFXTSK-OAHLLOKOSA-N	372.270	3.563	50	1	FHGF	
C[C@@]12CCC[C@@](C)(C=O)[C@H]1CC[C@]13C[C@@](O)(CCl)[C@](O)(CC[C@@H]12)C3	95910082	DTMIPKXLCMUODX-BCPGGHEJSA-N	354.918	3.683	50	1	FHGF	biogenic,in-vitro
CCOC(=O)[C@]1(C/C=C/CBr)CCc2ccccc2C1=O	1860186	TXJJDQQYUDEENI-FUTAKVPZSA-N	351.240	3.706	50	1	FHGF	
O=c1[nH]c(Nc2cccc([C@@H](Cl)C(F)(F)Cl)c2)nc2[nH]cnc12	13740071	IKHHSQLCGHNGJW-SECBINFHSA-N	360.151	3.501	50	1	FHGF	
CC(=N)/C(C#N)=C(/O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	101665882	HNJHEQAKBNPFPR-YITAFBIBSA-N	355.369	3.765	50	1	FHGF	
N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccoc2)[C@@H]2CCCC=C12	169348695	JHTTWCYBOIWDTB-QOEFQVSFSA-N	357.413	3.730	50	1	FHGF	
COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C2	1909400	MGSHDHPTWIYEQZ-LJQANCHMSA-N	353.374	3.762	50	1	FHGF	
CCC=CC[C@H](O)C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)O	2356444243	PVTQTOGPOPGQGE-UURKPOQGSA-N	350.455	3.796	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@H]1[C@@]23OO4	43382044	NEGWVKPKTURHQB-DNFFZGJFSA-N	358.434	3.762	50	1	FHGF	
CCO/C=C(\C#N)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587567977	GJYCWVQWWXFZNH-VSADUAAZSA-N	351.358	3.556	50	1	FHGF	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C/[C@](C)(OO)CC/C=C(\CC1)C(=O)O2	169337095	MTLYMLXKPBANDE-FAEKJBQBSA-N	350.455	3.940	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(CCCCC[C@@H]1Br)[C@@H](C2)C3=O	587417415	MJNQAJVMADVLKG-JDFRZJQESA-N	351.240	3.909	50	1	FHGF	
O=[N+]([O-])c1cc(Br)cc2nc(/C=C\CBr)[nH]c12	586972069	FGLUQFOHCIMPFZ-UPHRSURJSA-N	360.993	3.642	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	586971581	UATFBLLCIKTXEU-JTQLQIEISA-N	363.158	3.745	50	1	FHGF	
CN1C(=O)C[C@H]2CN[C@H](c3cccc(OCCCCl)c3)c3cccc1c32	963030482	QXFOOEZJYOORAH-YCRPNKLZSA-N	370.880	3.837	50	1	FHGF	
COc1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(O)c3ncccc23)cc1	49089640	AZWIYXDHKVQUIN-WMZOPIPTSA-N	354.793	3.644	50	1	FHGF	
COC(C)(C)[C@@H](Br)c1nc2cncc(Br)c2[nH]1	586971291	QNVSRNNBIMUWOT-VIFPVBQESA-N	363.053	3.581	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@@H](C#N)[C@@H]1c1ccnc2ccccc12	169723632	FJPLSTBZPKSPRK-PBHICJAKSA-N	353.809	3.599	50	1	FHGF	
[C-]#[N+][C@@]1(C)CC[C@H]([C@@]2(C)CC[C@@H](C(C)(C)NC=O)O2)[C@@]2(O)C=C(C)CC[C@@H]12	238748426	RVJDHDOAPLZHGA-JPKYEYPISA-N	374.525	3.624	50	1	FHGF	
CCOC(=O)c1ccccc1SSc1n[nH]c(-c2cccnc2)n1	103208509	QNWZFNFGLGJRLC-UHFFFAOYSA-N	358.448	3.843	50	1	FHGF	
CO[C@H]1[C@@H]2[C@@H](CC[C@@]3(C)C[C@@]2(OC)CC[C@@H]3O)C(C=O)=C[C@H]1C=C(C)C	2356548802	FZXYEBOZWVGXJG-JQMNJMKVSA-N	362.510	3.685	50	1	FHGF	
C=C(C)[C@H](C[C@H](O)C(C)=CCOc1cc(=O)oc2cccc(C)c12)OO	2356658308	NKPVHABUNKIXAV-RDJZCZTQSA-N	360.406	3.612	50	1	FHGF	
Cn1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	587543650	LEQCIXBRBLIHHH-PXNSSMCTSA-N	369.804	3.827	50	1	FHGF	
Nc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N/N=C/c1ccc(Cl)cc1	653706756	SCJNRKXPSHLDGN-ZVBGSRNCSA-N	374.231	3.730	50	1	FHGF	
CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1OCC	1857647787	JDPZZAOBIVVZCD-FYJGNVAPSA-N	351.406	3.729	50	1	FHGF	
Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1	587544216	NCPQGUSAEFDYGE-VQIMIIECSA-N	371.776	3.785	50	1	FHGF	
CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(OC)cc2)cc1OCC	1857639574	DAANTHQJCNEZQB-VLAPBQICSA-N	368.433	3.656	50	1	FHGF	
CC1(C)[C@]2(C(=O)Nc3ccccc3)CC[C@@]1(C)C(=O)[C@@H]2Br	12276968	JLKGVIGPYYRFHH-AFAVFJNCSA-N	350.256	3.784	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccccn2)c1	38145365	PTMOGCQRNMENQM-PVKQIQIRSA-N	374.469	3.689	50	1	FHGF	
CC(C)(OO)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2C[C@H]1OO3	105442696	HAPYGVXWHYQMIJ-LMJNLGRISA-N	366.454	3.961	50	1	FHGF	biogenic
COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)CCl)[nH]c4c3)o2)cc1	587012714	YMLDKRHSZKVWJY-CYBMUJFWSA-N	369.812	3.527	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@](CCl)(CCSC(C)=O)CC2=O	587493163	QWJKRXANCQVWSH-QGZVFWFLSA-N	356.871	3.957	50	1	FHGF	
CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cccc(CBr)c1)NCC2	962924396	JXGVXQSTSGPQRV-GOSISDBHSA-N	373.294	3.518	50	1	FHGF	
CCCC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21	13833442	KPSGVFVGURUIHU-UHFFFAOYSA-N	359.813	3.993	50	1	FHGF	
Cc1cnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2S)s1	103197815	XLWXXYWCRAPHJR-STQMWFEESA-N	361.879	3.984	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc(CCl)c1O)O2	587377323	WISGSUZLDFJFIQ-HNNXBMFYSA-N	362.769	3.636	50	1	FHGF	
COC(=O)C[C@H](C)CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C	2356628923	LCUPVVXMLBHYRG-GANPKANLSA-N	350.499	3.914	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587009472	HFTJJMBZOLTFLV-UHFFFAOYSA-N	358.829	3.528	50	1	FHGF	
N#C/C(=C(/O)COC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1	101508679	UTYQGMWDTPHFDQ-CYVLTUHYSA-N	372.384	3.623	50	1	FHGF	aggregator
CN(C)CCSSCCCNC(=O)c1c[nH]nc1C1CCCCC1	618017164	HIFIWESHNVJGIF-UHFFFAOYSA-N	370.588	3.520	50	1	FHGF	
CN(CCOc1ccc(C[C@@H](Cl)C(=O)O)cc1)c1nc2ccccc2o1	26256169	PYTCEEHBDFGJJO-OAHLLOKOSA-N	374.824	3.578	50	1	FHGF	
O=C(CCl)Nc1cccc(-c2c(O)[nH]c3cc(Cl)ccc3c2=O)c1	13801572	PFXLOHFSMOMACE-UHFFFAOYSA-N	363.200	3.731	50	1	FHGF	
O=C(CCl)Nc1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)OCO2	587209389	ORUCVQDOAUWQIT-UHFFFAOYSA-N	366.804	3.906	50	1	FHGF	
CC(C)[C@@]12/C=C/[C@@](C)(O)C/C=C/[C@](C)(OO)CC/C=C(\CC1)C(=O)O2	102038296	MTLYMLXKPBANDE-SBOLXQTDSA-N	350.455	3.940	50	1	FHGF	
COC(=O)C1=CN(c2c(C)cc(C)cc2C)C(N)=C(C#N)[C@@H]1c1ccccc1	95569853	MNOUVLIDLRYTSK-FQEVSTJZSA-N	373.456	3.966	50	3	FHGF	
N#Cc1cc(Br)c2[nH]c(CCCCBr)nc2c1	586972306	LYOIQYRLLNVTPP-UHFFFAOYSA-N	357.049	3.915	50	1	FHGF	
Cc1ccc2[nH]c3c(c2c1)CCC(=C\c1ccccn1)/C3=C(\C#N)C(N)=O	1857595916	PGSUBJMODYOREP-NBINLSMTSA-N	354.413	3.664	50	1	FHGF	
CCCCCOC(=O)[C@H](Br)[C@H](F)C(=O)OCCCCC	33815060	VIYLRJBDJNXGJD-NEPJUHHUSA-N	355.244	3.555	50	1	FHGF	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccc(O)cc3)o2)C1	95585017	OBRJADFGUWSWNF-HDOZFUISSA-N	367.409	3.852	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2ccc(Br)nc2[nH]1	586970801	JESCCJNPSSSEEA-MRVPVSSYSA-N	363.053	3.581	50	1	FHGF	
COC(=O)c1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cn1	586972740	ARAPTHXEJVAYTN-SNVBAGLBSA-N	374.238	3.791	50	1	FHGF	
NNC(=O)[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12	28765773	CHWRKICHTXGKDX-SFHVURJKSA-N	373.378	3.679	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1CCBr)[C@@H](C2)C3=O	587412020	GRKUMJPJFRVKLT-PLQHRBFRSA-N	351.240	3.767	50	1	FHGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]1C(C=O)=C[C@@H]1C[C@@H](C)C[C@H]12	2356593087	WVNNFGAKOWXLST-MJHFCOJQSA-N	370.445	3.759	50	1	FHGF	
COc1ccc2c(Cl)c(C(=O)N/N=C3\CCCC(=O)C3)sc2c1	100559813	DEJRATUMDPFTIQ-GIJQJNRQSA-N	350.827	3.792	50	3	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc(CN(C)C(=O)CCl)cc1	587906216	VBGWUVCTPJQSMR-UHFFFAOYSA-N	362.256	3.946	50	1	FHGF	
C/C(=C(/C#N)C(=O)Nc1ccccc1)c1cn(CC(=O)O)c2ccccc12	96271131	KPDMAIYTHHMUDA-SAPNQHFASA-N	359.385	3.662	50	1	FHGF	
COc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1	1654550	HISGMJJXXLWVIF-LBPRGKRZSA-N	355.825	3.742	50	1	FHGF	
CN(C)CCSSCCNC(=O)c1cccc(C(F)(F)F)c1F	618008374	ZCFIGHOEEABTRG-UHFFFAOYSA-N	370.437	3.517	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C[C@@H]1Br	587371172	DQNQRRNFEHWMMP-FUHWJXTLSA-N	358.235	3.758	50	1	FHGF	
C[C@@H]1CC[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	169341384	UPDJPXJSQCFMLW-KVNNJNDPSA-N	357.450	3.635	50	1	FHGF	
Cc1c(-c2cc(C(=O)NN)nn2-c2ccccc2)oc2ccc(Cl)cc12	1857563031	KSQBTMSNRDBCLS-UHFFFAOYSA-N	366.808	3.851	50	1	FHGF	
CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(F)ccc21	40863235	SIZWMXXVQDVFGE-NMWGTECJSA-N	367.424	3.887	50	1	FHGF	
C/C(=N/NC(=O)CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1	13138830	KUAHGGVXXPXFME-BKUYFWCQSA-N	350.378	3.549	50	1	FHGF	
COC(C)(C)[C@]1(CBr)c2c(F)cccc2C[C@@H]2CCCN21	963103489	LLAOELADAAGPRE-GUYCJALGSA-N	356.279	3.861	50	1	FHGF	
CC(=O)O[C@H]1[C@@H]2CC[C@H]3[C@]1(C=C2C=O)CC[C@@H]1[C@]3(C)CCC[C@@]1(C)CO	141363226	JJNDASAEWOQLIM-MVSFUWRLSA-N	360.494	3.668	50	1	FHGF	
Cc1cc(C(=O)N/N=C/c2ccccc2)c(C)n1-c1ccccc1C(=O)O	219903921	PSGMIEKZHBRDKK-LPYMAVHISA-N	361.401	3.556	50	1	FHGF	
C[C@@]12CCC[C@@](C)(C=O)[C@@H]1CC[C@]13C[C@@](O)(CCl)[C@](O)(CC[C@@H]12)C3	238781767	DTMIPKXLCMUODX-HHBCTJDESA-N	354.918	3.683	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCBr	587537925	LQJAXMAJHQQVBE-ZFWWWQNUSA-N	363.207	3.898	50	1	FHGF	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(CC(C)(C)C)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43967651	KTIFMOMJIVYYQC-ILRXDRCZSA-N	351.487	3.726	50	1	FHGF	
O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccccc1	103220964	FVZTVFYYDCTSBV-GFMRDNFCSA-N	373.387	3.507	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CCCl)c2)N1	587685279	PFWIQLUNAAIWEM-PSLIRLAXSA-N	372.669	3.647	50	1	FHGF	
O=C(CCl)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	653726356	BTNLNFGEIGNTFM-INIZCTEOSA-N	361.760	3.650	50	1	FHGF	
CC1=CCC[C@]2(C)O[C@@H]2C[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@@]2(O)CCl	2356522906	YFHXUIYDACZSAY-FPPGBKCQSA-N	368.901	3.902	50	1	FHGF	
C[C@@H](C(=O)NNC(=O)NC1CCCC1)c1cccc(Cc2ccccc2)c1	84616912	UIASGYJCOORIBU-MRXNPFEDSA-N	365.477	3.654	50	1	FHGF	
C/C(=N\NC(=O)CNc1cccc(OCc2ccccc2)c1)c1ccncc1	201288963	DCJIPWKGABWYAG-KOEQRZSOSA-N	374.444	3.613	50	1	FHGF	
COC(=O)c1ccnc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12	586973520	LASPEBKZSWYKGI-JTQLQIEISA-N	374.238	3.791	50	1	FHGF	
O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccs1	95808872	IOUOKQCCRIGXBV-XSFVSMFZSA-N	373.478	3.883	50	1	FHGF	
C=C(CCCC(C)=O)[C@H](C=O)[C@H](CC(=O)OC)C(C=O)=CCC=C(C)C	2356416124	JPHSEWDOTZQMCS-UXHICEINSA-N	362.466	3.778	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O	587419310	DORXBFMAEZQVLF-MGPUTAFESA-N	365.772	3.791	50	1	FHGF	
CC(C)(NC(=O)CCl)c1nc2cccc(OCc3ccccc3)c2[nH]1	587010014	ZDBSPKZCQBSIMC-UHFFFAOYSA-N	357.841	3.732	50	1	FHGF	
Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@H](Cl)[C@@]1(O)C2=O	2356461428	GFRLORUCLRNBER-BQKSJUEUSA-N	368.857	3.799	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCBr	587537923	LQJAXMAJHQQVBE-HIFRSBDPSA-N	363.207	3.898	50	1	FHGF	
COc1cc2c(cc1OC)[C@]1(C[C@H](OC(C)(C)C)[C@H]1Cl)N(C)[C@@H](C)C2	962628212	HBEIWMDDDACDRW-BJVKYNJZSA-N	367.917	3.970	50	1	FHGF	
CC1(C)CC[C@H](Cl)[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12	962668714	PKRIYOMZXURHTL-ORYQWCPZSA-N	372.896	3.956	50	1	FHGF	
Cc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	103220966	APUWWUMAFLVFJN-FLFQWRMESA-N	369.424	3.676	50	1	FHGF	
CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@H](OC)[C@H](O)CC	2356803858	XMNWLMUALWPSNW-MFMLGXQFSA-N	372.502	3.567	50	1	FHGF	
CCCC[C@H](Br)C(=O)C(Br)Br	86000730	LXTJHNBZXQMSBE-YFKPBYRVSA-N	350.876	3.625	50	1	FHGF	biogenic
COC(=O)C1=C(CCl)N=C(C)[C@H](C#N)[C@H]1c1ccc(F)cc1Cl	169723619	STCGVXGUSGZYKZ-SMDDNHRTSA-N	355.196	3.843	50	1	FHGF	
O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1cccc(C(F)(F)F)c1	13119294	SOHWGFRUHNCBBL-WJDWOHSUSA-N	358.319	3.577	50	3	FHGF	
Nc1ccc([S@](=O)c2ccc(N(CCCl)CCCl)cc2)cc1	27415027	OYLHJJBKMNGFMY-JOCHJYFZSA-N	357.306	3.720	50	1	FHGF	
COC(=O)c1ccc(NP(=O)(c2ccccc2)c2ccccc2)cc1	68600907	ZWXIZQIVZHWXIB-UHFFFAOYSA-N	351.342	3.814	50	1	FHGF	biogenic
O=[N+]([O-])c1c(Br)ccc2nc(/C=C/CBr)[nH]c12	586972709	ZNBGFWLWWCIISM-OWOJBTEDSA-N	360.993	3.642	50	1	FHGF	
CN(C)CCOc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1	587087772	TZMBDCAIBYZWHL-ZDUSSCGKSA-N	358.255	3.687	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C/N(C)C)(c1ccc(F)cc1)O2	587384574	MTQYHIXHOZBKHK-FFXXTYGZSA-N	365.408	3.546	50	1	FHGF	
O=C1C[C@]2(CCC[C@@H](Br)C2=O)Oc2c1ccc1c2CCCC1	587499661	UFFRBJIZDIRPFC-KDOFPFPSSA-N	363.251	3.786	50	1	FHGF	
Cc1ccnc2c1CCN[C@]2(CBr)c1ccc(Cl)cc1	963065569	FPKPTCNVBQMGFQ-MRXNPFEDSA-N	351.675	3.828	50	1	FHGF	
O=C(CCl)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	653726357	BTNLNFGEIGNTFM-MRXNPFEDSA-N	361.760	3.650	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O	587425254	AUDPJNJAEDTMLB-DJJJIMSYSA-N	362.784	3.725	50	1	FHGF	
CC(=O)O[C@@H]1CC(C=O)=CC=C2C3=C(C(C)C)CC[C@@]3(C(=O)O)CC[C@@]21C	85888483	HOSRLRWNDVYKNJ-BVYCBKJFSA-N	372.461	3.991	50	1	FHGF	biogenic
Oc1ccc2c(c1)[C@@](CCl)(Cc1cccc(Br)c1)NCC2	963329810	UVKUQDFNQNSGSE-KRWDZBQOSA-N	366.686	3.977	50	1	FHGF	
Cc1c(CNC(=O)CCl)nc2c(C)ccc3c2c1-c1ccccc1C3=O	586992405	BCZGLIGHKZOEDY-UHFFFAOYSA-N	364.832	3.918	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(/C=C\C=O)c1F)[C@@H](C2)C3=O	587426091	KOITWWWAFRCRPZ-MZTNTMNKSA-N	352.361	3.709	50	1	FHGF	
COc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587416997	HSIPBGAMSYIHBR-MCGXXNDWSA-N	358.821	3.974	50	1	FHGF	
Cc1ccc(/N=N/C(=O)NNc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	18068636	VLVMHJRTEMHZIN-HTXNQAPBSA-N	358.314	3.940	50	1	FHGF	
O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1	299855025	AVRZVXZYDWRHEO-UHFFFAOYSA-N	354.413	3.978	50	1	FHGF	
Cc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br	586909243	XDOJZXHRRCRRBW-UHFFFAOYSA-N	357.163	3.611	50	1	FHGF	
N#Cc1ccc2c(C(=O)[C@@H](Br)CBr)coc2c1	587278174	DTVUERVPVBKMRS-JTQLQIEISA-N	357.001	3.646	50	1	FHGF	
Cc1ccc(C(C)C)c(O)c1C(=O)NCCCSSCCN(C)C	618007847	KPMVZPCJEXVEAS-UHFFFAOYSA-N	370.584	3.887	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1ccc([C@H](Cl)C(N)=O)c(F)c1	587916667	RDNANTQNTOIKEC-INIZCTEOSA-N	352.192	3.653	50	1	FHGF	
CC(C)[C@@]12C=C[C@@](C)(O)CC=C[C@@](C)(OO)CCC=C(CC1)C(=O)O2	2356382751	MTLYMLXKPBANDE-UFYCRDLUSA-N	350.455	3.940	50	1	FHGF	
CC(C)[C@@H](NC(=O)CCl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587496099	BNCIRGUFRPJFPX-WOJBJXKFSA-N	363.885	3.669	50	1	FHGF	
O=C(CCl)N[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2	587209041	GTGNDIZTDOCNNH-SFHVURJKSA-N	350.849	3.972	50	1	FHGF	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)CCC[C@@H]2Br	587500347	WKAJJFCGJQGXLM-MAUKXSAKSA-N	363.251	3.786	50	1	FHGF	
COc1oc([C@@]2(C)[C@H](C)[C@@]3(C)[C@@H]4OO[C@@](C)(C=C4C)[C@@H]23)c(C)c(=O)c1C	138288451	MMPARXAGZMMBGW-LTEPGYGNSA-N	360.450	3.844	50	1	FHGF	
C[C@@H]1CC[C@]2(C)[C@@]1(C)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@]12O	135954280	YGGZBLBKCSRZKV-LHJKONGQSA-N	351.712	3.866	50	1	FHGF	
CCC=CC[C@H](O)C=C[C@@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2	2356444242	PVTQTOGPOPGQGE-NTZUZEMLSA-N	350.455	3.796	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CCCl)c1	587541773	DKEWRCYLNNDIQX-LPHOPBHVSA-N	370.792	3.530	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC=C(C)C[C@H]2OC(C)=O	13379286	RSUGPKKDHKKQLW-IVSAIRAKSA-N	357.288	3.755	50	1	FHGF	biogenic
COc1ccc([C@]2(CCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587418952	CDVHCTWRPARECZ-UZLBHIALSA-N	358.821	3.976	50	1	FHGF	
COC(=O)C1=C(CCl)N=C(C)[C@H](C#N)[C@H]1c1ccnc2ccccc12	169723625	FJPLSTBZPKSPRK-WMLDXEAASA-N	353.809	3.599	50	1	FHGF	
CC(C)(C)OC(=O)NNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1	164818717	LEPFMGOGQZIRJC-UHFFFAOYSA-N	370.384	3.539	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@](C)(Br)[C@H](Cl)C1	2356504289	KCTBLUZWVXTOET-KBXIAJHMSA-N	351.712	3.936	50	1	FHGF	
COc1ccc(Br)c(C(=O)N/N=C\c2ccc(Cl)cc2)c1	103182225	ZJAVYRKKEDYTCP-NVMNQCDNSA-N	367.630	3.875	50	1	FHGF	
CN(C(=O)[C@@H](N=C=S)c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1	40505343	FNFPEYFFVUCCKM-FHWLQOOXSA-N	357.523	3.696	50	1	FHGF	
CCOC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	587688782	OEFFRRNJRQXPQD-YMTOWFKASA-N	350.659	3.593	50	1	FHGF	
C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](OC)C1)CCN2C	5132611	KQIJOWWBWNZTPC-RIOSTHDPSA-N	354.450	3.576	50	1	FHGF	
CC(C)[C@H](NC(=O)CCl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587496080	BNCIRGUFRPJFPX-PMACEKPBSA-N	363.885	3.669	50	1	FHGF	
N#CC1=C(SCc2ccccc2)S[C@H](c2ccc(O)cc2)NC1=O	84619600	MEPLKYSSEWRXGR-QGZVFWFLSA-N	354.456	3.922	50	1	FHGF	
COc1ccc([C@]2(CCl)NCCc3cc(Cl)ccc32)c(OC)c1	963379404	IAGFVJQFFZRSTL-GOSISDBHSA-N	352.261	3.985	50	1	FHGF	
CC(C)[C@@]12/C=C/[C@@](C)(O)C/C=C\[C@](C)(OO)CC/C=C(\CC1)C(=O)O2	169337094	MTLYMLXKPBANDE-XVFZPPDDSA-N	350.455	3.940	50	1	FHGF	
N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccccn2)[C@@H]2CCCC=C12	169348700	OOHHRJUUBWGNRV-ZFUCPZCZSA-N	368.440	3.532	50	1	FHGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@H]3C=C(C=O)[C@H]12	238749146	WVNNFGAKOWXLST-LMZJSVRGSA-N	370.445	3.759	50	1	FHGF	
C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(N)=O)cc2[nH]1	586973253	HBPAUEYJJWEONL-SNVBAGLBSA-N	358.239	3.709	50	1	FHGF	
CC(C)c1cc(C(=O)N/N=C\C(Br)=C\c2ccccc2)n[nH]1	15837391	WFMRMDAGDXDXPT-OOVZDATKSA-N	361.243	3.685	50	1	FHGF	
COc1cc2c3c(c1)O[C@]1(CCCCC[C@H]1Br)[C@@H](C2)C3=O	587417414	MJNQAJVMADVLKG-DXCKQFNASA-N	351.240	3.909	50	1	FHGF	
Cn1/c(=N/NC(=O)CC2CCCC2)sc2cc(OC(F)(F)F)ccc21	101635551	ZBHICRAJUNKGFK-QNGOZBTKSA-N	373.400	3.651	50	1	FHGF	
Cc1ccc2[nH]cc(C(=O)NCCCSSCCN(C)C)c2c1	618017746	YDCTXDDSOWYMRZ-UHFFFAOYSA-N	351.541	3.539	50	1	FHGF	
O=C(CNc1cccc(Cl)c1)N/N=C/c1cccc(Br)c1	96167320	MFFPPDBDIUCLSJ-DJKKODMXSA-N	366.646	3.665	50	1	FHGF	
CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(C=O)=C(/O)OC	101272206	KKVAROKNTXMQER-UNAVCAKSSA-N	354.450	3.728	50	1	FHGF	
COC(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2n1	586974144	RIOLYBAUWWJPRL-JTQLQIEISA-N	374.238	3.791	50	1	FHGF	
Cc1c(CNC(=O)CCl)nc2cccc3c2c1-c1ccccc1C3=O	587100890	BEDHAHGDNFCCIY-UHFFFAOYSA-N	350.805	3.610	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2ccc(Br)nc2[nH]1	587086584	DMRZXNYUYDNGDJ-ZETCQYMHSA-N	351.017	3.905	50	1	FHGF	
O=C(N/N=C/c1ccc(Br)c(F)c1)c1cc2ccccc2[nH]1	1857539194	NNYLEUNURMCXRU-DJKKODMXSA-N	360.186	3.833	50	1	FHGF	
C[C@]1(CCCCCl)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962642372	ZGOBYAPILBBRHB-XHDPSFHLSA-N	365.779	3.808	50	1	FHGF	
COC(=O)C1=C(C(F)(F)F)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl	62224685	PZBXDKKVRHRWOI-GFCCVEGCSA-N	374.721	3.953	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)Cl)(c1c(C)[nH]c3ccccc13)O2	587370584	ALYXDZGRQBJUFT-HXUWFJFHSA-N	368.820	3.993	50	1	FHGF	
Cc1oncc1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	587684027	JMDDWUQWKCRLKF-VXJOIVPMSA-N	373.653	3.901	50	1	FHGF	
Cc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)s1	963218003	FKWIQJKLQVIVJL-QFBILLFUSA-N	372.877	3.686	50	1	FHGF	
CCOC(=O)c1cc2cc(OC(=O)Oc3ccc([N+](=O)[O-])cc3)ccc2[nH]1	1857600300	YIXFOMCMLRKSNX-UHFFFAOYSA-N	370.317	3.831	50	1	FHGF	
C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)CCOC2(CCCCC2)OO1	43552552	OHPIETXSOZIQER-MRXNPFEDSA-N	374.886	3.901	50	1	FHGF	
Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1	587544214	NCPQGUSAEFDYGE-QFBILLFUSA-N	371.776	3.785	50	1	FHGF	
COc1ccc(Cc2coc3cc(OCCCl)cc(O)c3c2=O)cc1	1857628717	LVIHPGBSVXYYFV-UHFFFAOYSA-N	360.793	3.716	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ncccc13)([C@H](C)Cl)O2	587371598	HAGPPQRAZNIROX-JEOXALJRSA-N	355.825	3.942	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)cc1)O2	587384958	QGEIASWNAMQPEV-KRWDZBQOSA-N	364.214	3.972	50	1	FHGF	
CS(=O)(=O)/C(C#N)=C/c1cc(Cc2ccc(F)c(F)c2)ccc1F	1857585453	DMIMWPOSPGIOSO-NTEUORMPSA-N	351.349	3.604	50	1	FHGF	
CC(C)[C@]1(O)CC[C@]2(C)CC=C(C=O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21	38345619	JENQPAWXVQJHSO-YUVXSKOASA-N	372.461	3.640	50	1	FHGF	biogenic
CC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4[C@@](C)(OO)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3	95909506	RILAGXHYBRNHMH-SRWWVFQWSA-N	366.498	3.936	50	1	FHGF	biogenic,in-vitro
COc1cc2c3c(c1)O[C@@](c1ccc(O)c(OC)c1)([C@@H](C)Cl)[C@@H](C2)C3=O	587419296	XQAQXPYRXGVSNE-UHMLPPNMSA-N	374.820	3.680	50	1	FHGF	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1Cl	587707701	WJKDJHFVCRVSEE-VDKKZXSFSA-N	362.670	3.734	50	1	FHGF	
CCc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1	26155015	DQQILLFRWAVJLK-IBGZPJMESA-N	357.881	3.717	50	1	FHGF	
N#C/C(=C(/N)S[C@@H]1C=CC=CC1)c1cccc([C@H](O)c2ccncc2)c1	95564498	YYDPEIRKANIXMV-UDOZCRMJSA-N	361.470	3.932	50	1	FHGF	
COc1cc2c3c(c1)O[C@](CBr)(c1cccs1)[C@@H](C2)C3=O	587453798	ZPTGNMRQLQQPGW-ZBEGNZNMSA-N	365.248	3.795	50	1	FHGF	
C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccc(Cl)cc1	66252122	AXGUGIUHCNZSRS-LPYMAVHISA-N	353.809	3.807	50	1	FHGF	
O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@@H]1Br	40410355	WNYIGUMPMQQOEY-NYNLCMDTSA-N	364.667	3.979	50	1	FHGF	
C/C(=C\COc1cc(=O)oc2cccc(C)c12)[C@H](O)/C=C/C(C)(C)OO	238781191	VQIKMKPDMSGMTM-ZKYMSZQWSA-N	360.406	3.612	50	1	FHGF	
COc1cc2c3c(c1)O[C@@H](c1cc(CCl)c4c(c1)COCO4)[C@@H](C2)C3=O	587422644	QYWRTIMMWAHUSU-YWZLYKJASA-N	372.804	3.789	50	1	FHGF	
C/C(=N/NC(=O)c1cc(/C=C\c2ccco2)on1)c1ccc([N+](=O)[O-])cc1	49111376	PRCSYAIIAFWIHK-NKHGNWECSA-N	366.333	3.500	50	1	FHGF	
O=C(CCCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl	26148764	CTIRDQCDXVGUSG-IBGZPJMESA-N	357.881	3.935	50	1	FHGF	
C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)CCOC2(CCCCC2)OO1	43552553	OHPIETXSOZIQER-INIZCTEOSA-N	374.886	3.901	50	1	FHGF	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1)[C@@H](Br)C2=O	169297035	JLKGVIGPYYRFHH-ZLIFDBKOSA-N	350.256	3.784	50	1	FHGF	
C/C1=C\CC[C@]2(C)O[C@H]2C[C@H]2[C@H](C/C(C)=C/CC1)OC(=O)[C@]2(O)CCl	238751445	YFHXUIYDACZSAY-CHQYHOOMSA-N	368.901	3.902	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3nc(O)oc3c1)O2	587373937	UROBDEQROZSUSV-GOSISDBHSA-N	358.781	3.524	50	1	FHGF	
O=C(N/N=C/c1ccco1)c1cc(Cl)ccc1C(=O)NC1CCCCC1	103204121	CPNSPCNEIFIXDU-CIAFOILYSA-N	373.840	3.759	50	1	FHGF	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cccc(C)c2nc1Cl	883051	LMFHEKISBFYIEW-MRXNPFEDSA-N	353.809	3.867	50	3	FHGF	
O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@H]1Br	253723821	WNYIGUMPMQQOEY-XBURVNOZSA-N	364.667	3.979	50	1	FHGF	
CC[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587539024	UGVHBLZBSUVVNQ-PBHICJAKSA-N	363.207	3.898	50	1	FHGF	
COc1ccc([C@@]2(CSC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587448907	MYDNFWJSJAEONP-OXQOHEQNSA-N	367.426	3.561	50	1	FHGF	
CCOC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	587688781	OEFFRRNJRQXPQD-XPTSAGLGSA-N	350.659	3.593	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1)[C@@H](C2)C3=O	587411706	GBJVTDQRVBDUEF-KSSFIOAISA-N	359.219	3.733	50	1	FHGF	
COC(=O)c1cc(Br)c2[nH]c([C@@H](Cl)CCl)nc2c1	587009267	YWPQVFWDBUQGJR-ZETCQYMHSA-N	352.015	3.631	50	1	FHGF	
CCn1nc(C)c([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)n1	963110326	PLLXGXNBGMPXEF-HNNXBMFYSA-N	359.688	3.541	50	1	FHGF	
N#CC1=C(N)Oc2c(c(O)nc3c2ccc2ccccc23)[C@H]1c1ccncc1	1857619583	CSOMWHWOJLMWBU-KRWDZBQOSA-N	366.380	3.707	50	1	FHGF	
CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@@H](OC)[C@@H](O)CC	2356803857	XMNWLMUALWPSNW-LPXKSRHMSA-N	372.502	3.567	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](C#N)c1nc(C)cs1)O2	587415398	ZWQDUOLMSBTLJH-PXAZEXFGSA-N	361.854	3.592	50	1	FHGF	
O=C(N/N=C\c1ccc(OC(=O)c2cccs2)cc1)c1cccc(F)c1	33326060	QSGQMJVNIWXXLE-MTJSOVHGSA-N	368.389	3.870	50	1	FHGF	
COc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2c(F)cccc2C[C@H]2CCCN21	963104631	LYLOCNQSFORJCO-OPAMFIHVSA-N	365.404	3.574	50	1	FHGF	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](Cl)[C@]1(O)C2=O	141028416	GFRLORUCLRNBER-MSIVRNRISA-N	368.857	3.799	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](Br)C1=O)CC2=O	587457666	ACSMWBJTBTUCPP-YVEFUNNKSA-N	367.239	3.565	50	1	FHGF	
Nc1ccccc1C(=O)N/N=C/c1c(-c2ccc(O)cc2)[nH]c2ccccc12	82152717	SFDDSVVHLOPEOE-ZMOGYAJESA-N	370.412	3.887	50	1	FHGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc[nH]2)N1	587682409	CBUKREHPOTTXAT-PSLIRLAXSA-N	357.654	3.933	50	1	FHGF	
CC(=O)O[C@H]1C[C@@H]2C[C@]3(C=C2C=O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@H]13	95587688	UKKLQQNAXRBSIP-JKYGVMPDSA-N	374.477	3.761	50	1	FHGF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C[C@@H]1Br)[C@@H](C2)C3=O	587419189	XDFUUVHTNLJIDM-QOKNQOGYSA-N	371.230	3.658	50	1	FHGF	
Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1	17254235	WRCOHAXFRCVGKK-UHFFFAOYSA-N	354.793	3.983	50	1	FHGF	
CC(C)(F)[C@@H](Br)c1nc2cc(Br)ncc2[nH]1	587086926	JDYXHUJJMBVJGT-QMMMGPOBSA-N	351.017	3.905	50	1	FHGF	
Cc1ccccc1-c1ccc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)cc1	587960333	ZPVHQMQUAJXMMV-UHFFFAOYSA-N	356.429	3.733	50	1	FHGF	
CCCCCCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21	40846626	RICFMQAIDXCJIT-FLFQWRMESA-N	363.461	3.677	50	1	FHGF	
CCOC(=O)[C@H](Cl)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	587496620	JEYIYYJCTXDBAG-HKUYNNGSSA-N	350.842	3.850	50	1	FHGF	
COc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	587373752	SAHYBSPLUOZCKE-LJQANCHMSA-N	361.825	3.694	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(CC(C)(C)C)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43967649	KTIFMOMJIVYYQC-YEBTUNHHSA-N	351.487	3.726	50	1	FHGF	
COc1ccc2c(c1)[C@@](CCl)(c1cc(C(=O)O)co1)N(C(C)C)CC2	962091101	LHUVVDYQWWNKQV-IBGZPJMESA-N	363.841	3.735	50	1	FHGF	
Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1	587544212	NCPQGUSAEFDYGE-LPHOPBHVSA-N	371.776	3.785	50	1	FHGF	
CCOC(=O)[C@]1(CCCCCCl)CC(=O)c2cc(C)cc(N)c2O1	587372899	BHDVDQKAHCQDKK-SFHVURJKSA-N	353.846	3.644	50	1	FHGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@@H]3C=C(C=O)[C@H]12	2356593086	WVNNFGAKOWXLST-GPMSGKNDSA-N	370.445	3.759	50	1	FHGF	
CC(=O)OC[C@]1(C)C[C@](Br)(CCl)[C@@H](Cl)C[C@@H]1Cl	2356795606	MHQSTQDPTAQKDO-NAKRPEOUSA-N	366.510	3.937	50	1	FHGF	
O=C(CCl)Nc1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12	95597001	WWOMFTSTPNFNFC-UHFFFAOYSA-N	355.156	3.936	50	1	FHGF	
N#CC1=C(NC(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N2CCC[C@H]12	96935410	FHFFQLGZPMRXBJ-GOSISDBHSA-N	373.416	3.648	50	1	FHGF	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@H]1C[C@@H](Br)[C@@H](Br)[C@@H]21	254200573	RTOAGUKGFNBCKI-LMHRDJMSSA-N	357.473	3.542	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CC(=O)O)cc1)([C@@H](C)Cl)O2	587373046	PFQGVMYUUHZSRC-MPBGBICISA-N	373.836	3.692	50	1	FHGF	
C[C@]12CC[C@@H]3[C@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]34C)(C1)[C@H](Cl)C(=O)N2	72108593	KHWPDSWBBOEHKF-WCQOGACKSA-N	367.917	3.960	50	1	FHGF	
C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3cccs3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	195226930	PJBPRSMZQDWWIQ-NNYAZXJUSA-N	363.479	3.946	50	1	FHGF	
CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C=O	238749309	VUWCBJZHKZQBPX-QEGKIEECSA-N	360.494	3.668	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CCCl)c1)[C@@H](C2)C3=O	587419626	FKOJYOURQFEPLS-YWZLYKJASA-N	358.821	3.845	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1cccc([N+](=O)[O-])c1)O2	587411437	ZVSUCCCCYYIPCV-SFHVURJKSA-N	369.402	3.560	50	1	FHGF	
CC(C)(C)[Si](C)(C)OCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	238808930	FTWRNCJUDDUMCQ-UHFFFAOYSA-N	359.520	3.780	50	1	FHGF	
CCCc1c(O)ccc2c1O[C@@](CC)([C@H](Cl)C(=O)OCC)CC2=O	587458239	IEIZVAZJSBSGFU-SJLPKXTDSA-N	354.830	3.629	50	1	FHGF	
Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H](Cl)[C@]1(O)C2=O	2356461430	GFRLORUCLRNBER-PSSPQXCJSA-N	368.857	3.799	50	1	FHGF	
COc1oc([C@]2(C)[C@H](C)[C@@]3(C)[C@H]4OO[C@@](C)(C=C4C)[C@@H]23)c(C)c(=O)c1C	2356487042	MMPARXAGZMMBGW-QWWOSCSFSA-N	360.450	3.844	50	1	FHGF	
CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1Cl	587550321	UTXNJVMNRPDFEN-OHDICMOHSA-N	360.793	3.509	50	1	FHGF	
CC(=O)O[C@@H]1C[C@H]2C[C@@]3(C=C2C=O)CC[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]13	2356367005	UKKLQQNAXRBSIP-ZLWAPRIMSA-N	374.477	3.761	50	1	FHGF	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O	33984354	IJYHDNYPTQOLNF-OVCLIPMQSA-N	368.458	3.784	50	1	FHGF	
CCOC(=O)/C(C#N)=C(\NCc1ccccc1)N[C@H](C)c1ccc(F)cc1	40616233	IETLYQVKZKEMKL-FZFLATATSA-N	367.424	3.564	50	1	FHGF	
CN(C)CCSSCCNC(=O)c1ccccc1Cc1ccccc1	618008837	LLAWPGDKLPRUQQ-UHFFFAOYSA-N	374.575	3.950	50	1	FHGF	
CCCNc1ncnc2c1cnn2C[C@H](Br)c1ccccc1	13682929	SPBLTFCYEBPYSU-AWEZNQCLSA-N	360.259	3.784	50	1	FHGF	
CCn1c(SCC(=O)N/N=C\C=C/c2ccco2)nc2ccccc21	15974203	PPHVBWSUSWHLMJ-VQPVWDAHSA-N	354.435	3.557	50	1	FHGF	
CC(=O)O[C@@H]1CC(C=O)=CC=C2C3=C(C(C)C)CC[C@@]3(C(=O)O)CC[C@]21C	85888478	HOSRLRWNDVYKNJ-STZQEDGTSA-N	372.461	3.991	50	1	FHGF	biogenic
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(C)=O)cs1)[C@@H](C2)C3=O	587449786	CVPFALYIMKVXHM-UGSOOPFHSA-N	362.834	3.841	50	1	FHGF	
COC(C)(C)[C@H](Br)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	586971157	NIDOBFASEHSLHV-CYBMUJFWSA-N	367.222	3.749	50	1	FHGF	
COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1ncccc1C	963070472	VGPGHEGYRCEAHN-FQEVSTJZSA-N	353.853	3.575	50	1	FHGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)CCCl	587544948	PSLUXRLWYLHSKO-WMLDXEAASA-N	353.201	3.960	50	1	FHGF	
N#C/C(=C/c1cc(Cc2ccccc2)c(O)c(Cc2ccccc2)c1)C(N)=O	40949547	UHGZPHGGTGUXMI-JCMHNJIXSA-N	368.436	3.966	50	1	FHGF	
[C-]#[N+]C(C)(C)[C@@H]1CC[C@](C)([C@H]2CC[C@](C)(NC=O)[C@@H]3CCC(C)=C[C@@]32O)O1	238753540	MRLBFFQWTQUMCD-JPKYEYPISA-N	374.525	3.624	50	1	FHGF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(C(N)=O)oc2C)N1	962952787	VVUWCDCXSXXQRV-YUNKPMOVSA-N	371.868	3.575	50	1	FHGF	
Cc1cccc(C#Cc2cccc(OC(=O)CCCBr)c2)n1	28353570	QBVSVSIFNUPWGF-UHFFFAOYSA-N	358.235	3.870	50	1	FHGF	
N=c1nc(O)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c[nH]1	587254302	ZINHNTUSRZGMOF-UHFFFAOYSA-N	353.276	3.795	50	1	FHGF	
Oc1ccc2c(c1)[C@](CBr)(c1cc(F)ccc1Cl)NCC2	963340033	FDYXLAQFWSUDOK-MRXNPFEDSA-N	370.649	3.969	50	1	FHGF	
O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc(C(F)(F)F)cc1	28964390	NTROGEJWZUUZQR-UHFFFAOYSA-N	370.334	3.678	50	1	FHGF	
Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H](Cl)[C@@]1(O)C2=O	2356461429	GFRLORUCLRNBER-JDMARGCISA-N	368.857	3.799	50	1	FHGF	
CO[C@H]1O[C@]2(c3ccc(COC(C)=O)cc3)CC[C@H]3CCCC[C@]13OO2	38153509	FGFMXJTULHPRPY-GSEOLPGOSA-N	362.422	3.576	50	1	FHGF	
Cc1c(C(=O)N(C)CCSSCCN(C)C)oc2ccccc12	618009625	GCJOWWZOZBYZJJ-UHFFFAOYSA-N	352.525	3.756	50	1	FHGF	
COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)CCCl)c1	587917763	SJGCITBQTIPDCA-UHFFFAOYSA-N	369.269	3.761	50	1	FHGF	
CCN(CC)c1ccc(C(=O)N/N=C/c2ccccc2OC(F)F)cc1	3226760	CFWRFUOXDOJOMS-LPYMAVHISA-N	361.392	3.898	50	3	FHGF	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(Br)c1)CCN3	1857774982	RIFDWAOQOFQKCW-QGZVFWFLSA-N	368.234	3.635	50	1	FHGF	
O=C(Oc1cccc(Cl)n1)c1cc2cc(CCl)ccc2oc1=O	13557553	OMYRMHAKNNIGHA-UHFFFAOYSA-N	350.157	3.799	50	1	FHGF	
COc1ccc(Br)c(C(=O)N/N=C\c2ccccc2Cl)c1	103182228	BZMRYLRXNSHWMM-NVMNQCDNSA-N	367.630	3.875	50	1	FHGF	
CN1CCc2cnn(C)c2[C@]1(CCl)c1cc(Cl)sc1Cl	963956119	UYZQKAFXEIOXFH-ZDUSSCGKSA-N	350.702	3.759	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccco2)c1	38145342	HJKJQEYGHCSTQW-NGYXKBBWSA-N	363.442	3.887	50	1	FHGF	
CCOC(=O)[C@@]1(CCCCCCl)CC(=O)c2cc(C)cc(N)c2O1	587372888	BHDVDQKAHCQDKK-GOSISDBHSA-N	353.846	3.644	50	1	FHGF	
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC=C(C)C[C@@H]2OC(C)=O	13379289	RSUGPKKDHKKQLW-QBYUYEEZSA-N	357.288	3.755	50	1	FHGF	biogenic
CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1	40379784	YFSNALWVAVFAIK-FQEVSTJZSA-N	359.429	3.571	50	1	FHGF	
N#CC1=C(SCC(=O)NC2CC2)N=C2CCCC(O)=C2[C@@H]1c1ccco1	100703303	WOTAUAPYMOIHNH-KRWDZBQOSA-N	369.446	3.561	50	1	FHGF	
CC[C@@H]1[C@@H]2CC[N+]3(CCl)CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13	238788492	ZBCMNADOWLNVRE-ZIKUWTKISA-O	373.904	3.622	50	1	FHGF	
CCCCCCSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	299830269	IFAXWSJZDRZZLV-OAHLLOKOSA-N	360.439	3.997	50	1	FHGF	
CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@@H](OC)[C@H](O)CC	2356803859	XMNWLMUALWPSNW-TUKTXDRWSA-N	372.502	3.567	50	1	FHGF	
CCO/C=C(\C#N)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587567974	GJYCWVQWWXFZNH-DAZOGFOGSA-N	351.358	3.556	50	1	FHGF	
N#C/C(=C\c1ccccc1)c1nc2cc(I)cnc2[nH]1	587188970	XFDBBSLORUBHGG-IZZDOVSWSA-N	372.169	3.627	50	1	FHGF	
CSc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3F)o2)cc1	1857771578	IIJBXOJZILSLDA-UHFFFAOYSA-N	370.405	3.882	50	1	FHGF	
COC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(N)=O)cc2C[C@@H]1Cl	14829628	AHGKSZXKDPGMQU-PKOBYXMFSA-N	350.890	3.883	50	1	FHGF	biogenic
N#C/C(=C\CCNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccncc1	618017458	QNBMDLKVMKCSEI-RSSMCMFDSA-N	361.323	3.707	50	1	FHGF	
C#C/C=C/C[C@H](OC(C)=O)[C@H]1CC=CC[C@H](Br)[C@@H](CC)O1	238734314	ZFYWONYUPVGTQJ-YEHWJMBXSA-N	355.272	3.775	50	1	FHGF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCl)(c2ccc(F)c(Cl)c2)N1	962916374	CZXXOBBNGGQROL-YOEHRIQHSA-N	372.198	3.700	50	1	FHGF	
Cn1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	587543652	LEQCIXBRBLIHHH-XLIONFOSSA-N	369.804	3.827	50	1	FHGF	
CCO/C=C(\C#N)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	587732368	LKOUSFHHFRYBOM-FPXYEXFZSA-N	353.235	3.782	50	1	FHGF	
CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)cc1	586881466	WWCXSGNAATVHNX-UHFFFAOYSA-N	370.412	3.703	50	1	FHGF	
CN1CCc2c(Br)cccc2[C@]1(CCl)c1ccc(F)cn1	963282229	XBWQLCIWDNADNS-MRXNPFEDSA-N	369.665	3.954	50	1	FHGF	
COc1ccc(C(=CC#N)c2cc(OC)c(OC)c(OC)c2)cc1OC	1857623302	UYRLBVHNBIPJGW-UHFFFAOYSA-N	355.390	3.685	50	1	FHGF	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1	13586154	YTLTUEVYTYYFNW-KRWDZBQOSA-N	370.250	3.733	50	1	FHGF	
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccoc2)c1	38145372	VHIMEGWBMFCINX-MPSQLMGGSA-N	363.442	3.887	50	1	FHGF	
CCCCCN1C(=O)/C(=N\NC(=O)C2CCCCC2)c2ccc(OC)cc21	40425383	JNISNWCTIJFDQG-QOCHGBHMSA-N	371.481	3.633	50	1	FHGF	
CC1(C)CC[C@H](Cl)[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21	962668708	PKRIYOMZXURHTL-DQLDELGASA-N	372.896	3.956	50	1	FHGF	
C=C(C)[C@H](O)CCC(=C)[C@]1(O)CC[C@@](C)(Br)[C@@H](Cl)C1	2356504288	KCTBLUZWVXTOET-BARDWOONSA-N	351.712	3.936	50	1	FHGF	
O=C1C(O)=C([C@H](NCCCCl)c2ccccc2)C(=O)c2ccccc21	653859593	OWULJFMLENXKIG-QGZVFWFLSA-N	355.821	3.838	50	1	FHGF	
CC(C)[C@@H](NC(=O)CCl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587496094	BNCIRGUFRPJFPX-UXHICEINSA-N	363.885	3.669	50	1	FHGF	
CN1C(=O)C[C@H]2CN[C@@H](c3cccc(OCCCCl)c3)c3cccc1c32	963030471	QXFOOEZJYOORAH-BTYIYWSLSA-N	370.880	3.837	50	1	FHGF	
C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCCC1CCCCC1	26502339	UFDOXXVARDYOOI-QGSQVHNNSA-N	363.546	3.873	50	1	FHGF	
C[C@H]([C@H](O)c1ccccc1)N(C)P(=O)(c1ccccc1)c1ccccc1	110322989	ICBOYFKPRKHWSC-GCJKJVERSA-N	365.413	3.969	50	1	FHGF	biogenic
Nc1ncnc2c1c(-c1ccc(O)cc1)nn2C[C@@H](Cl)c1ccccc1	473134485	CQWIYIVPQSCUCT-OAHLLOKOSA-N	365.824	3.761	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ncc(Cl)cc1F)O2	587385153	MJQDZHSERYKEAR-INIZCTEOSA-N	355.196	3.864	50	1	FHGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccn(C)c2)N1	587686235	SXIMUSQTKZGGNJ-MGPLVRAMSA-N	371.681	3.943	50	1	FHGF	
COc1ccc(OC)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1	587374818	ZMKASVCKOABOFU-IBGZPJMESA-N	361.825	3.694	50	1	FHGF	
O=C1C[C@]2(CCC[C@H](Br)C2=O)Oc2c1ccc1c2CCCC1	587499666	UFFRBJIZDIRPFC-KSSFIOAISA-N	363.251	3.786	50	1	FHGF	
CCCC[C@]1(Br)O[C@H]1C(Br)Br	2356795009	LQMKQTOBUUMAQJ-FSPLSTOPSA-N	350.876	3.783	50	1	FHGF	
C=C[C@@](C)(O)CC[C@@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)CCC(=O)C(C)(C)OO	85932730	NFIODVWANULQDK-UKWWORSXSA-N	354.487	3.895	50	1	FHGF	
O=C(CCCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO	209731778	BRWRMTIGOLBNCP-CJLVFECKSA-N	367.449	3.650	50	1	FHGF	
COc1cc2c3c(c1)O[C@@](CBr)(C1CCCC1)[C@@H](C2)C3=O	587412881	KBAOJLLXSWLPLV-GUYCJALGSA-N	351.240	3.767	50	1	FHGF	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ncccc14)([C@H](C)Cl)[C@@H](C2)C3=O	587418982	VJMLBHAEMUGHTO-ZNUZLIQOSA-N	368.820	3.842	50	1	FHGF	
COc1ccc([C@]2(CSC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587448908	MYDNFWJSJAEONP-UZLBHIALSA-N	367.426	3.561	50	1	FHGF	
N#C/C(=C(/N)S[C@H]1C=CC=CC1)c1cccc([C@H](O)c2ccncc2)c1	95564497	YYDPEIRKANIXMV-UYAGBXLBSA-N	361.470	3.932	50	1	FHGF	
O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/CBr)[nH]c21	586972949	CZJOZWBPILLVAA-ZZXKWVIFSA-N	367.202	3.746	50	1	FHGF	
Cc1cc2cc(NC(=O)NCCSSCCN(C)C)ccc2[nH]1	618007959	OGIYKPPJIKXIQB-UHFFFAOYSA-N	352.529	3.541	50	1	FHGF	
C[C@@H](CCl)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12	1772598807	FCPXAPLHZZUEOF-NWDGAFQWSA-N	372.860	3.880	50	1	FHGF	
CC(C)=CCc1cc(/C=C/B(O)O)ccc1OC(=O)CCc1ccccc1	1857541421	BVLWTYPPSPGHHF-CCEZHUSRSA-N	364.250	3.759	50	1	FHGF	
O=C=NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587884153	GSOHMBMQKAFDMT-UHFFFAOYSA-N	373.239	3.540	50	1	FHGF	
CC(C)c1n[nH]c2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21	4597242	NBNDLQUKLBEKEI-UHFFFAOYSA-N	354.413	3.934	50	1	FHGF	
C[C@@H](Nc1cccc(Oc2ccccc2)c1)C(=O)N/N=C/c1ccncc1	201286801	SPQITYFQEDHYPS-LGVXEURYSA-N	360.417	3.825	50	1	FHGF	
C=C1C[C@@]2(O)C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]23CC[C@@H]1C3	238748200	JSSANDPQSIFOCY-UAHISNFZSA-N	357.288	3.589	50	1	FHGF	
Cc1cc(C(=O)N/N=C/c2ccccc2)c2c(C)nn(-c3ccccc3)c2n1	1772607981	WUZBJNFSEWVIAF-OEAKJJBVSA-N	369.428	3.801	50	1	FHGF	
CSc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(F)cc3)o2)cc1	1857649015	NGZDFIRSYJDLIC-UHFFFAOYSA-N	370.405	3.882	50	1	FHGF	
CCOC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1	586971755	YIJFPLFORDDPRH-GFCCVEGCSA-N	355.232	3.601	50	1	FHGF	
CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(CO)c2)C(C)(C)C)cc1	103184657	CFNNCPNLRFTHTN-UHFFFAOYSA-N	368.477	3.635	50	1	FHGF	
CCCNC(=S)NNC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1	103200031	WAWKNVFHMAUTNK-CYBMUJFWSA-N	359.470	3.502	50	1	FHGF	
Cc1cc(Br)cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c12	586907131	KODLSHLGRWNNQC-UHFFFAOYSA-N	357.163	3.611	50	1	FHGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C[C@H]1Br	587371173	DQNQRRNFEHWMMP-SJLPKXTDSA-N	358.235	3.758	50	1	FHGF	
CCO/C=C(\C#N)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587567975	GJYCWVQWWXFZNH-NGRMBUTOSA-N	351.358	3.556	50	1	FHGF	
O=C(CCl)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1	96908520	ZIQVDRFDTUXXBA-UHFFFAOYSA-N	370.261	3.643	50	1	FHGF	
ClC[C@]1(c2ncco2)NC2(CC2)Cc2ccc(Br)cc21	961326798	RTEGRHKFMHBOSJ-HNNXBMFYSA-N	353.647	3.598	50	1	FHGF	
Cc1ccc(/C=N\NC(=O)c2cc(-c3cccnc3)nc3ccccc23)o1	33447597	VCUURZVXRJAFOA-QRVIBDJDSA-N	356.385	3.962	50	1	FHGF	
COC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC1CC1	13675411	QPNRQPDROCNGIE-INIZCTEOSA-N	370.840	3.772	50	1	FHGF	
C=C(CCCC(C)=O)[C@H](C=O)[C@H](CC(=O)OC)/C(C=O)=C\CC=C(C)C	206673098	JPHSEWDOTZQMCS-BXWLARMLSA-N	362.466	3.778	50	1	FHGF	
CCCC[C@]1(O)OOC(c2ccccc2)(c2ccccc2)C[C@H]1C(=O)OC	1857590085	PEHMOOZTWRAVTJ-UGKGYDQZSA-N	370.445	3.950	50	1	FHGF	
C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)CC=CC[C@@H]1OC(C)=O	2356795094	IHNQKSPJGWMDCR-QAETUUGQSA-N	355.272	3.775	50	1	FHGF