smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
FC(F)Oc1cc(Cl)c(Cl)cc1CCl	263624407	QEFZPZHSYLTVTM-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
N#C[C@H]1[C@H]2c3ccccc3[C@H]1[C@@H](Cl)c1ccccc12	104286092	XFVZKLUNJLTVOB-NXOAAHMSSA-N	265.743	4.349	50	50	CIGA	
CCOc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1	583138	SVHJQSKQVZLSBQ-BOPFTXTBSA-N	274.323	4.021	50	50	CIGA	
FC(F)(F)c1cc(CCl)cc(C(F)(F)F)c1	2539278	OINTXXMBRBLMHH-UHFFFAOYSA-N	262.580	4.463	50	50	CIGA	in-vitro
CC1(CC[C@@H]2C=C(O[Si](C)(C)C)CC2(C)C)OCCO1	169829516	NWMHZMWKRYOLDH-CYBMUJFWSA-N	298.499	4.311	50	50	CIGA	
N#C/C(=C(/O)c1ccc(F)cc1)c1nc2ccccc2s1	100087939	YHWNGRNKSPDOCW-QINSGFPZSA-N	296.326	4.385	50	50	CIGA	
O=C(CCCl)N1c2ccccc2CCc2ccccc21	2566346	CBHZSZTVGIGNRU-UHFFFAOYSA-N	285.774	4.079	50	50	CIGA	
CC12CC3(C)CC(C)(C1)CC([C@@H](Cl)C(=O)O)(C2)C3	4787257	AIPDCMZNOXKOBM-MGZXXMPLSA-N	270.800	4.065	50	50	CIGA	
Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1N=C=O	255189820	SIICNWTXJDQTIM-UHFFFAOYSA-N	267.206	4.241	50	50	CIGA	
Cc1cc(Cl)cc(CBr)c1Cl	263623027	CYMNUYJKUQSVCG-UHFFFAOYSA-N	253.954	4.197	50	50	CIGA	
O=C(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F	4240947	NQMCJGTVZMBTDS-UHFFFAOYSA-N	276.563	4.103	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2ccccc2C(F)(F)F)o1	163289	GLOOFJIOUCJFHD-UHFFFAOYSA-N	288.228	4.396	50	50	CIGA	
Fc1cc(CBr)c(Cl)cc1Cl	2574992	SXAZGVVUQUTRIS-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
c1ccc(P(c2ccccc2)C2CCCCC2)cc1	2507995	ZXKWUYWWVSKKQZ-UHFFFAOYSA-N	268.340	4.452	50	50	CIGA	in-vitro
Cc1cccc(NC(=O)[C@H](Cl)c2ccccc2)c1C	37009061	CQCPMTWRYFHGLB-OAHLLOKOSA-N	273.763	4.222	50	50	CIGA	
CCOc1ccc(NC(=O)C(C#N)=C2CCC(C)CC2)cc1	127287	CJFBAFSVUGXADZ-UHFFFAOYSA-N	298.386	4.054	50	50	CIGA	
N#C/C(=C\c1ccc2c(c1)OCO2)c1cccc(Cl)c1	53936	DQYJBPTUDABNSG-AWNIVKPZSA-N	283.714	4.133	50	50	CIGA	
Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	16677464	DSNXBOOYCFLBBY-UVTDQMKNSA-N	296.757	4.194	50	50	CIGA	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1	5059431	DZZOFASLUPCIAB-ZROIWOOFSA-N	297.741	4.175	50	50	CIGA	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1	58546	JPZDEUZACTYRAF-GOSISDBHSA-N	298.345	4.058	50	50	CIGA	
BrCc1c2ccccc2nc2ccccc12	5162761	MZFYKBHQWLWIBI-UHFFFAOYSA-N	272.145	4.283	50	50	CIGA	
CCCCCC(=O)NN=C1CCC(c2ccccc2)CC1	4992118	BSSDEBXMNHFRNI-UHFFFAOYSA-N	286.419	4.397	50	50	CIGA	
BrCC/C=C/CSc1ccccc1	43762899	HRVPYJIVBSYAIU-QHHAFSJGSA-N	257.196	4.120	50	50	CIGA	
CCCC(CCC)C(=O)OC(=O)C(CCC)CCC	100508562	GYIUDLLQLVWKPP-UHFFFAOYSA-N	270.413	4.489	50	50	CIGA	
CCCCCCCC[Si](OCC)(OCC)OCC	169743188	MSRJTTSHWYDFIU-UHFFFAOYSA-N	276.493	4.395	50	50	CIGA	in-vivo
Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)c(C)c1	37009056	MEYUVFBRTDPBRA-HNNXBMFYSA-N	273.763	4.222	50	50	CIGA	
Cc1cccc(C)c1N(C)C(=O)[C@@H](Cl)c1ccccc1	2167170	RSOJQBKBRINVOQ-HNNXBMFYSA-N	287.790	4.246	50	50	CIGA	
CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](F)Cl)c(C)c1	2325898412	BDHCCLHSIIAXJC-BXKDBHETSA-N	289.803	4.359	50	50	CIGA	
C[C@@H]1CC[C@@H](C)N1C(=O)CCCC[C@H]1CCSS1	225387657	SWCFAUYNLKVOCJ-UPJWGTAASA-N	287.494	4.100	50	50	CIGA	
Cc1cc(Br)c(Cl)cc1N=C=S	4313170	KWMYSOAUHVIFPE-UHFFFAOYSA-N	262.559	4.145	50	50	CIGA	
Cc1ccc(-c2csc(C=C(C#N)C#N)c2)cc1	4541780	WWSUZMOHAFVKEJ-UHFFFAOYSA-N	250.326	4.154	50	50	CIGA	
CCc1ccc2nc(-c3ccccn3)cc(C(=O)Cl)c2c1	40457188	AWXOXTGEJTWAPD-UHFFFAOYSA-N	296.757	4.238	50	50	CIGA	
CCCCCCCCCCCCNC(=O)CCl	59895301	IQNKUQDXFKGYSX-UHFFFAOYSA-N	261.837	4.262	50	50	CIGA	
Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Cl	2564949	FFBPNWVXORPKKH-UHFFFAOYSA-N	255.100	4.287	50	50	CIGA	
C=CCCCCCCCCI	140327186	MTAJCIOPUQQBLS-UHFFFAOYSA-N	266.166	4.338	50	50	CIGA	
CCc1cccc2c(C(=O)Cl)cc(-c3ccccn3)nc12	40457201	FCUYHUWDDCXGGV-UHFFFAOYSA-N	296.757	4.238	50	50	CIGA	
C=C(C[C@@H](O)C(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C	169834672	NTPIOZATDRVJFD-ZIAGYGMSSA-N	272.505	4.360	50	50	CIGA	
Cc1cc(C)c(Pc2c(C)cc(C)cc2C)c(C)c1	2559509	NBXSLXZWWHEDPI-UHFFFAOYSA-N	270.356	4.166	50	50	CIGA	
CCC(CC)=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	4507532	WCYFWHLLUALMDZ-SNVBAGLBSA-N	298.839	4.113	50	50	CIGA	
N#C/C(=C/c1ccco1)c1ccc(Br)cc1	2877710	LDVUNFICCRYTKR-FLIBITNWSA-N	274.117	4.106	50	50	CIGA	
CC12CC3(C)CC(C)(C1)CC([C@H](Cl)C(=O)O)(C2)C3	4787256	AIPDCMZNOXKOBM-CZSKLPPPSA-N	270.800	4.065	50	50	CIGA	
C=C(C)[P@](=O)(O[C@@H](C)CCl)O[C@H](C)CCl	254411613	PJGXGWAVWGEORR-IEVQFXQGSA-N	275.112	4.001	50	50	CIGA	
O=C(CCCl)N1c2ccccc2Sc2ccccc21	1691317	QDMBCNDXWXEIAF-UHFFFAOYSA-N	289.787	4.445	50	50	CIGA	in-vitro
C=Cc1ccc(P(c2ccccc2)c2ccccc2)cc1	38145460	FRPLKHQCXVNBNO-UHFFFAOYSA-N	288.330	4.088	50	50	CIGA	
FC(F)Oc1ccc(CCl)c(Cl)c1Cl	263623605	IYOHVSUDQOWBOA-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
C[C@@H](Br)c1ncc(C(F)(F)F)cc1Cl	306863119	JJIXLOBUTIKNDB-SCSAIBSYSA-N	288.494	4.210	50	50	CIGA	
COc1ccccc1/C=C(\C#N)c1nc2ccccc2s1	4247269	VVXRBMPFEHACHG-JLHYYAGUSA-N	292.363	4.369	50	50	CIGA	
O=C(CCl)c1cc(Cl)c(Cl)c(OC(F)F)c1	263622741	ALOXLHVZBRTMHA-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
Fc1cc(Cl)cc(CBr)c1Cl	263623066	DKLDPLLTSLCFMZ-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
C[C@H](Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1	3266455	BSYZSMKURUVCRQ-NSHDSACASA-N	275.735	4.045	50	50	CIGA	in-vitro
O=C(Cl)O[C@@H](Cl)c1ccccc1C(F)(F)F	2539462	KQELEQGMABOYIM-SSDOTTSWSA-N	273.037	4.318	50	50	CIGA	
CCOc1ccc2nc(Cl)c(CCCl)cc2c1	11985646	OKXXKGSLVAINIT-UHFFFAOYSA-N	270.159	4.068	50	50	CIGA	
O=[N+]([O-])c1ccc(S[C@H]2[C@H]3CC[C@@H](C3)[C@H]2Cl)cc1	150254492	ZGDCSEUAGPTHBJ-NGERZBJRSA-N	283.780	4.093	50	50	CIGA	
FC(F)(F)[C@H](Br)c1ccccc1Cl	71792067	LNUYNHQUISZQEW-SSDOTTSWSA-N	273.479	4.338	50	50	CIGA	
BrCc1ccc(Oc2ccccc2)cc1	1436034	CPIGBCFBFZSCQI-UHFFFAOYSA-N	263.134	4.374	50	50	CIGA	
Cc1c(N=C=S)ccc(Br)c1Cl	4313171	UPCSNIAADNQCRL-UHFFFAOYSA-N	262.559	4.145	50	50	CIGA	
C=C(C)P(=O)(O[C@@H](C)CCl)O[C@@H](C)CCl	1691057	PJGXGWAVWGEORR-IUCAKERBSA-N	275.112	4.001	50	50	CIGA	
CC1(C)[C@H]2C[C@H]1[C@]1(O[Si](C)(C)C)[C@@H](C2)[C@@]1(C)Cl	169828587	MMXUETNRVWJWHM-CDCRFNPESA-N	272.892	4.270	50	50	CIGA	
N#CSCCCOc1cccc(Oc2ccccc2)c1	23115528	URQVXKLQKPOZNG-UHFFFAOYSA-N	285.368	4.462	50	50	CIGA	
CCCCCCCCCCCC[C@@H]1CC(=O)OC1=O	100013269	YAXXOCZAXKLLCV-CQSZACIVSA-N	268.397	4.387	50	50	CIGA	in-vitro
BrCCOc1ccc(-c2ccccc2)cc1	5738527	BXSDJMLESOMGIS-UHFFFAOYSA-N	277.161	4.127	50	50	CIGA	
Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Cl)c2c1	40451298	HCHQIEUMOUGYOA-UHFFFAOYSA-N	296.757	4.293	50	50	CIGA	
O=C(Nc1ccc(C2CC2)cc1C(F)(F)F)[C@@H](F)Cl	2325898469	FBZNTSSUARESKG-SNVBAGLBSA-N	295.663	4.056	50	50	CIGA	
Clc1c(CBr)sc2ccccc12	330000	OWYVDLOGYIFMCM-UHFFFAOYSA-N	261.571	4.450	50	50	CIGA	
N#CC(C#N)=Cc1ccc(OCc2cccc(Cl)c2)cc1	390481	ZQLPYOFVTGLWSG-UHFFFAOYSA-N	294.741	4.350	50	50	CIGA	
CC(C)(C)c1ccccc1OCCCCSC#N	2880466	IVLJPZRIGRFHKI-UHFFFAOYSA-N	263.406	4.357	50	50	CIGA	
CCCCCCCCCC/C=C/[C@@H]1CC(=O)OC1=O	100048643	WVRNUXJQQFPNMN-GCZGRYASSA-N	266.381	4.163	50	50	CIGA	
CCCCC[C@H]1CC[C@H]([C@H]2CC=C(B(O)O)CC2)CC1	604220526	NSKYCIWGCMDXSO-JYJNAYRXSA-N	278.245	4.112	50	50	CIGA	
FC(F)(F)Oc1ccc(N=C=S)cc1Br	229584311	MFHVNZPLTIIYHM-UHFFFAOYSA-N	298.083	4.082	50	50	CIGA	
O=C(CCl)c1ccc(Cl)c(Cl)c1OC(F)F	263625017	WBJWLPXGUBTBNB-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
Cc1cccc(C)c1/C=C(\C#N)c1nc2ccccc2[nH]1	4528813	RBPZDAVCIIYDSK-GXDHUFHOSA-N	273.339	4.244	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2C[C@@H]2[C@H]2C[C@H]2[C@H]2C[C@H]21	248171968	SNDPJEZNBCPOFS-CCCRVJQASA-N	264.485	4.299	50	50	CIGA	
C=C(CO)[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1	169834702	UOCRXWBPJVEYGN-MRXNPFEDSA-N	292.495	4.341	50	50	CIGA	
CC(C)c1cc(C=C(C#N)C#N)cc(C(C)C)c1O	138515792	JSDJFOADLLJFQX-UHFFFAOYSA-N	254.333	4.070	50	50	CIGA	
O=C/C(=C\Nc1ccc(Cl)cc1)c1nc2ccccc2o1	333687	VMFMUHXISRXMNT-PKNBQFBNSA-N	298.729	4.133	50	50	CIGA	
FC(F)(F)c1cc(N=C=S)ccc1Br	15444676	FUJRJHFGAPKJFK-UHFFFAOYSA-N	282.084	4.202	50	50	CIGA	
CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O	95669465	WVRNUXJQQFPNMN-GETOMWPZSA-N	266.381	4.163	50	50	CIGA	
Fc1ccc(Cl)c(Cl)c1CBr	2527796	RXHTVFRUZNHYSD-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
N#C/C(=C\c1ccccc1Cl)c1nc2ccccc2[nH]1	3998128	BPSIMQTUJJIVOO-FMIVXFBMSA-N	279.730	4.280	50	50	CIGA	
FC(F)Oc1c(CCl)ccc(Cl)c1Cl	263622837	BHUVDAYVFBPYCR-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
C=CO[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	170161584	WPZQENSANSNYSI-UHFFFAOYSA-N	290.704	4.342	50	50	CIGA	in-vitro
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(Cl)Cl	1693099	SHLOTSWHBOJSGC-UHFFFAOYSA-N	292.165	4.000	50	50	CIGA	
O=C(Cl)c1ccc(OCc2cccc(Cl)c2)cc1	40451466	SJAWGYVADBJVNY-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CBr)C1	606303174	LWKQKLVVDFSUIX-MGCOHNPYSA-N	279.294	4.182	50	50	CIGA	
CCc1ccc2c(Cl)c(C(=O)Cl)sc2c1	5911804	COIPERBZRLNKTJ-UHFFFAOYSA-N	259.157	4.496	50	50	CIGA	
Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Cl)c2c1	40451312	SJNJGFIHEJKZCF-UHFFFAOYSA-N	296.757	4.293	50	50	CIGA	
O=C(CCl)Nc1ccc(Cl)cc1Oc1ccccc1	2167847	DJQSTHGMMLOHQB-UHFFFAOYSA-N	296.153	4.310	50	50	CIGA	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3s2)o1	4498365	LKXSSWLLZJRRPD-DHZHZOJOSA-N	266.325	4.262	50	50	CIGA	
CC1(CC[C@H]2C=C(O[Si](C)(C)C)CC2(C)C)OCCO1	169829514	NWMHZMWKRYOLDH-ZDUSSCGKSA-N	298.499	4.311	50	50	CIGA	
C=C1CC=C(C#N)[C@@H]2[C@@H]1CCC1=CCC[C@@]3(C)[C@@H]1[C@@H]23	71786376	OHRJMXGKBCYZAS-SFFUCWETSA-N	251.373	4.395	50	50	CIGA	
FC(F)(F)c1cc(Br)ccc1N=C=S	4242151	GWLIKBAQYRDIID-UHFFFAOYSA-N	282.084	4.202	50	50	CIGA	
Clc1cccc(Cl)c1OCCCBr	34464256	DACRVFAVCJLQMR-UHFFFAOYSA-N	283.980	4.157	50	50	CIGA	
CCCCOc1ccc(Br)cc1C(=O)Cl	40451474	FSGHQCGGOKDGIU-UHFFFAOYSA-N	291.572	4.007	50	50	CIGA	
Cc1c(CSC(C)C)cccc1NC(=O)[C@H](F)Cl	2325897788	IXKBQRHWBKOAJP-LBPRGKRZSA-N	289.803	4.110	50	50	CIGA	
O=C(Cl)OCC1c2ccccc2-c2ccccc21	388382	IRXSLJNXXZKURP-UHFFFAOYSA-N	258.704	4.174	50	50	CIGA	biogenic,in-vitro
O=C(CBr)c1ccc(C2CCCCC2)cc1	2576082	JMCBGXFQNHCVBY-UHFFFAOYSA-N	281.193	4.312	50	50	CIGA	
COc1ccccc1/C=C/C=C(/C#N)c1ccccc1	401059	URRZOZXLCOQQCR-SFXQBQATSA-N	261.324	4.316	50	50	CIGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1	3073373	BWJBHUUBGJLMMX-GOSISDBHSA-N	298.345	4.058	50	50	CIGA	
COc1ccccc1/C=C(/C#N)c1ccc(Cl)cc1	401113	CMHLLECJHKVEII-UVTDQMKNSA-N	269.731	4.413	50	50	CIGA	
Nc1c(Cl)c(Cl)nc(C(Cl)Cl)c1Cl	3895333	NIYYWCQUDKBFRY-UHFFFAOYSA-N	280.369	4.100	50	50	CIGA	
N#C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	3901255	CWYYIJJQBGQTJH-FMIVXFBMSA-N	279.730	4.280	50	50	CIGA	
CC(C)[C@H]1CC[C@@H](C)C[C@@]12O[C@@H](CCl)CS2	17059918	BLLNAFYATKPPPN-XQHKEYJVSA-N	262.846	4.146	50	50	CIGA	
C[C@H]1C[C@@H]2[C@H](C=C1[C@]1(O)CCCC[C@H]1Cl)C2(C)C	34572379	NWNPNDPALGKKGQ-HSMHQDCBSA-N	268.828	4.137	50	50	CIGA	
CCO[Si](C[C@H](C)CC(C)(C)C)(OCC)OCC	169806498	UWZSHGZRSZICIW-CYBMUJFWSA-N	276.493	4.107	50	50	CIGA	
N#C/C(=C\c1c[nH]c2ccccc12)c1cccs1	409427	KFSIJILQNGDITB-DHZHZOJOSA-N	250.326	4.294	50	50	CIGA	
O=C(NNc1ccccc1)Nc1ccc(Cl)c(Cl)c1	1233403	LSKOIJNKBNPPLK-UHFFFAOYSA-N	296.157	4.142	50	50	CIGA	
COc1ccc(OCCCCCCBr)cc1	2571603	YGHAMCWRCXLFCH-UHFFFAOYSA-N	287.197	4.029	50	50	CIGA	
C=C1CC=C(C#N)[C@H]2[C@@H]1CCC1=CCC[C@@]3(C)[C@@H]1[C@@H]23	71786375	OHRJMXGKBCYZAS-ICUGJSFKSA-N	251.373	4.395	50	50	CIGA	
O=C(NN=C1CCCCCC1)c1ccc(Cl)c(Cl)c1	273722	YOHXHKORUVGNHC-UHFFFAOYSA-N	299.201	4.433	50	50	CIGA	
CC(C)(C)[C@H]1CCc2sc(C(=O)Cl)cc2C1	15933392	UPPWCYWFQFYWEG-VIFPVBQESA-N	256.798	4.278	50	50	CIGA	
COc1ccccc1-c1cc(C(=O)Cl)c2ccccc2n1	6249164	LHHKHMHFAAYQHE-UHFFFAOYSA-N	297.741	4.289	50	50	CIGA	
CC(C)(C)[C@@H]1CCc2sc(C(=O)Cl)cc2C1	2536635	UPPWCYWFQFYWEG-SECBINFHSA-N	256.798	4.278	50	50	CIGA	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	2546782	HEQHCRHFAIGYNT-VLVOFSMPSA-N	294.285	4.354	50	50	CIGA	
c1ccc(OP(c2ccccc2)c2ccccc2)cc1	100008425	UPDNYUVJHQABBS-UHFFFAOYSA-N	278.291	4.113	50	50	CIGA	in-vitro
CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cl	40451393	DPIJNYBOYLZOCI-HNNXBMFYSA-N	274.747	4.276	50	50	CIGA	
CCC/C=C(/CC)C(=O)OC(=O)/C(=C\CCC)CC	100163610	ORYOKKAEFMIUOF-XSYHWHKQSA-N	266.381	4.329	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CC[C@H](O)C2	169837498	VOZGCXJIOQGVEH-YDHLFZDLSA-N	270.489	4.092	50	50	CIGA	
COC(=O)c1c(N=C=S)sc(C)c1-c1ccccc1	2522238	QLXOIMIFROYUOX-UHFFFAOYSA-N	289.381	4.244	50	50	CIGA	
N#C/C(=C\c1ccccc1F)c1nc2ccccc2s1	4075695	USMQSTTXRQTZBK-FMIVXFBMSA-N	280.327	4.500	50	50	CIGA	
N#C/C(=C\c1c[nH]c2ccccc12)c1cccc(C#N)c1	4809707	DPOCFTAWOGRDOD-OQLLNIDSSA-N	269.307	4.104	50	50	CIGA	
O[C@]1(c2ccccc2C(F)(F)F)CCCC[C@@H]1Cl	44125615	PERZXZXQNVAZBP-RYUDHWBXSA-N	278.701	4.074	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cc(O)ccc1Cl	261494270	TWHFUALSXNLKEJ-UHFFFAOYSA-N	258.821	4.430	50	50	CIGA	
FC(F)(F)Oc1cc(CBr)ccc1Cl	12359175	LAZINNAFCZCHLJ-UHFFFAOYSA-N	289.478	4.134	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CC=C(Br)C1	169833649	ZBKKGXZRIWTBFS-JTQLQIEISA-N	277.278	4.449	50	50	CIGA	
COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1	3901105	PFAHCZKRPYFKRW-UKTHLTGXSA-N	292.363	4.369	50	50	CIGA	
CCCCCCCCCCCCCCCC(=O)NN	59895299	SSVSELJXJJCANX-UHFFFAOYSA-N	270.461	4.458	50	50	CIGA	in-vitro
CCN(Cc1cccc2ccccc12)C[C@@H](C)Cl	96026338	ZFIKZOZOGSYRCI-CYBMUJFWSA-N	261.796	4.289	50	50	CIGA	
FC(F)(F)c1ccc(Cl)cc1CBr	2574969	OUNFGTVHRCWPKY-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	
CCCCC[C@H]1CC[C@H]([C@@H]2CC=C(B(O)O)CC2)CC1	604220525	NSKYCIWGCMDXSO-BZUAXINKSA-N	278.245	4.112	50	50	CIGA	
BrCCCCCCOc1ccccc1	2579110	QOLSAZPSEJXYSH-UHFFFAOYSA-N	257.171	4.021	50	50	CIGA	in-vitro
CCc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1	4955444	NWRRUQSNZWIQLU-WJDWOHSUSA-N	287.366	4.498	50	50	CIGA	
C=C(CO)[C@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1	169834704	UOCRXWBPJVEYGN-INIZCTEOSA-N	292.495	4.341	50	50	CIGA	
O=C(Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F	2545319	LRJNPOCQOZWIGR-UHFFFAOYSA-N	276.563	4.103	50	50	CIGA	in-vitro
C[C@@H](Br)c1ccccc1CBr	100684226	ZDIIQBBHSCTBSA-SSDOTTSWSA-N	277.987	4.037	50	50	CIGA	
CC(C)(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C	169992387	CCLNFALQCLEMAL-UHFFFAOYSA-N	262.542	4.247	50	50	CIGA	
C=CCN(CCCl)Cc1cccc2ccccc12	95742247	JNHKEOZKBNMCHF-UHFFFAOYSA-N	259.780	4.067	50	50	CIGA	
O=C(Cl)c1cc2cc(Br)ccc2s1	2548369	LRYLQGGHNAOVLT-UHFFFAOYSA-N	275.554	4.043	50	50	CIGA	
O=[N+]([O-])c1ccc(Nc2ccc(N=C=S)cc2)cc1	4214843	DKVNAGXPRSYHLB-UHFFFAOYSA-N	271.301	4.073	50	50	CIGA	in-man
COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)c(OC)c1	445045	LDMSBUJCOQVXBW-NTEUORMPSA-N	299.757	4.421	50	50	CIGA	
COc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	13014859	WCSWBNDUPYTEIV-NTUHNPAUSA-N	282.368	4.093	50	50	CIGA	
ClCCn1c2ccccc2n2cc(-c3ccccc3)nc12	217042604	NKUCNOQISLANAD-UHFFFAOYSA-N	295.773	4.195	50	50	CIGA	
C[C@H]1C[C@@H]2[C@H](C=C1[C@@]1(O)CCCC[C@@H]1Cl)C2(C)C	36460993	NWNPNDPALGKKGQ-QDQIGWGISA-N	268.828	4.137	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@]12CCCCC2=O	169831972	DHCSVGICXQCXMF-HOCLYGCPSA-N	280.484	4.466	50	50	CIGA	
N#C/C(=C/c1ccsc1)c1nc2ccccc2s1	4498390	NZARDQCPMSKKGR-XFFZJAGNSA-N	268.366	4.422	50	50	CIGA	
Cc1ccc2nc(/C(C#N)=C\C=C\c3ccco3)[nH]c2c1	4702197	TVKDRJIFYCPJMI-RSRLYEDJSA-N	275.311	4.085	50	50	CIGA	
BrCc1ccc(OCc2ccccc2)cc1	35323325	KHZAFUOYPXXJKO-UHFFFAOYSA-N	277.161	4.161	50	50	CIGA	in-vitro
CCNCc1cccc(S(F)(F)(F)(F)F)c1	669378559	GZRXWMQFTVSJDS-UHFFFAOYSA-N	261.259	4.454	50	50	CIGA	
C[C@@H](Cl)C(=O)N1c2ccccc2Sc2ccccc21	163602	NFDHJLPQTVVBOU-SNVBAGLBSA-N	289.787	4.443	50	50	CIGA	
ClCCN(CCCl)Cc1csc2ccccc12	332296	AGZKOQJSKPAPLK-UHFFFAOYSA-N	288.243	4.181	50	50	CIGA	
Cc1cccc(C)c1NC(=O)[C@@H](Cl)c1ccccc1	1649102	JFSFZYZETCRLQK-AWEZNQCLSA-N	273.763	4.222	50	50	CIGA	
CCOC(=O)c1c(N=C=S)sc2c1CCCCCC2	6402047	JWULXKRZRPIJJT-UHFFFAOYSA-N	295.429	4.318	50	50	CIGA	
N#C/C(=C\Nc1ccccc1Cl)c1nc2ccccc2o1	333689	HYUSUTSRHPEAEW-ZHACJKMWSA-N	295.729	4.458	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]2[C@H]2C[C@@H]12	248171970	SNDPJEZNBCPOFS-DLAUKSHLSA-N	264.485	4.299	50	50	CIGA	
O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCCCC1	511099	HSUZMWPSVCUTLT-RQZCQDPDSA-N	299.201	4.024	50	50	CIGA	
O=C(NNc1ccccc1)Nc1c(Cl)cccc1Cl	2142482	PDYUNJSEYYKSRC-UHFFFAOYSA-N	296.157	4.142	50	50	CIGA	
N#CSCCCCCOc1ccc(Cl)cc1	2880321	MTFCXQJEGJYQEC-UHFFFAOYSA-N	255.770	4.103	50	50	CIGA	
Cc1cc(OCCCCSC#N)ccc1Cl	5697813	KYRYVNHVCQRTHM-UHFFFAOYSA-N	255.770	4.022	50	50	CIGA	
CCCN(C(=O)[C@H](F)Cl)[C@@H](C)c1cc2ccccc2o1	2325897839	KIRZVVKFAQTVJN-HZMBPMFUSA-N	297.757	4.267	50	50	CIGA	
CCc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	12392994	UKVFNZGALBQADD-WJDWOHSUSA-N	278.311	4.221	50	50	CIGA	
COc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1	401123	KXWPBMPZTGBCLC-ZSOIEALJSA-N	269.731	4.413	50	50	CIGA	
ClCC(CCl)SSC(CCl)CCl	2173266	KWSCOINKEUDBLY-UHFFFAOYSA-N	288.092	4.060	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2ccccc2Cl)o1	406448	YBVCHSDARRXGPU-UHFFFAOYSA-N	254.676	4.031	50	50	CIGA	
N#C/C(=C/c1ccc(Cl)s1)c1ccc(C(=O)O)cc1	4810743	NIMBDQYLNSRJBC-XFFZJAGNSA-N	289.743	4.164	50	50	CIGA	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1O	117613	XOHAKQXNSOLHRZ-MDWZMJQESA-N	285.730	4.118	50	50	CIGA	
CC(C)[C@H]1CC[C@@H](C)C[C@@]12O[C@H](CCl)CS2	4775508	BLLNAFYATKPPPN-LPWJVIDDSA-N	262.846	4.146	50	50	CIGA	
O=C(CCCCCl)c1ccc(Br)cc1	2392789	UNIORYRWTPWEAI-UHFFFAOYSA-N	275.573	4.041	50	50	CIGA	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)o1	437805	JUMOLYUZQXKNAX-CPNJWEJPSA-N	298.386	4.040	50	50	CIGA	
N#C/C(=C(/O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	100285175	VOHQZECFBKIQQJ-QINSGFPZSA-N	295.729	4.166	50	50	CIGA	
CCN(Cc1ccccc1)c1ccc(SC#N)cc1	402445	ISFGBUJGOHTLFM-UHFFFAOYSA-N	268.385	4.286	50	50	CIGA	
S=C=Nc1cc(Cl)c(Br)c(Cl)c1	15444563	LPPRFSRJFKEVIK-UHFFFAOYSA-N	282.977	4.490	50	50	CIGA	
COc1ccc([C@@](C#N)(CCCCl)C(C)C)cc1OC	2317304	VDQLTWSIHIWIFQ-MRXNPFEDSA-N	295.810	4.140	50	50	CIGA	in-vitro
N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	4503636	DLQRXFJDEIGQFF-QPEQYQDCSA-N	283.714	4.133	50	50	CIGA	
O=C(Nc1ccc(Cl)cc1)[C@H](Cl)c1ccccc1	16477093	RNDDHXNXUQNPBC-CYBMUJFWSA-N	280.154	4.259	50	50	CIGA	
C[C@H]1CC[C@@H](C)N1C(=O)CCCC[C@H]1CCSS1	225387572	SWCFAUYNLKVOCJ-XQQFMLRXSA-N	287.494	4.100	50	50	CIGA	
CC(=O)c1ccc(/C(C#N)=C/c2cccs2)s1	3049575	YAQUGAUCPPPMPP-JXMROGBWSA-N	259.355	4.076	50	50	CIGA	
CCCCOc1cccc(CC)c1N(CC)C(=O)CCl	71772554	UBHNCDZXUQTDCB-UHFFFAOYSA-N	297.826	4.020	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1ccc(O)c(F)c1F	261494226	SFFNWPATVNCMJL-UHFFFAOYSA-N	260.356	4.054	50	50	CIGA	
Cc1cc(C=C(C#N)C#N)c(C)n1C1CCCCC1	447452	QAKLSUODJWMGFJ-UHFFFAOYSA-N	253.349	4.041	50	50	CIGA	
CC1(C)[C@@H]2C[C@H]3[C@@](O[Si](C)(C)C)([C@@H]1C2)[C@]3(C)Cl	216453302	MMXUETNRVWJWHM-LZFBMIIGSA-N	272.892	4.270	50	50	CIGA	
C=CCCCCCCCCC(=O)N/N=C/c1ccco1	1751153	RGGFASPKKONLML-SAPNQHFASA-N	276.380	4.037	50	50	CIGA	
Cc1cc(Br)cc(Cl)c1N=C=S	15444548	BMTOGEQRCYUMJQ-UHFFFAOYSA-N	262.559	4.145	50	50	CIGA	
Cc1nc2c(C)cccc2c(Cl)c1CCCl	336629	HREKRRSBKFRWTN-UHFFFAOYSA-N	254.160	4.286	50	50	CIGA	
O=P(Nc1ccccc1)(c1ccccc1)c1ccccc1	64041	UAYBIIYJBOWVRY-UHFFFAOYSA-N	293.306	4.028	50	50	CIGA	biogenic
O=C(Nc1ccccc1Cl)[C@@H](Cl)c1ccccc1	3159408	MBMMFQBNQAPHHZ-ZDUSSCGKSA-N	280.154	4.259	50	50	CIGA	
N#C/C(=C\c1cccc(Cl)c1)c1nc2ccccc2[nH]1	4726088	IVJRDSFTQIYHQL-XYOKQWHBSA-N	279.730	4.280	50	50	CIGA	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cccc(C)c2)C1	256997	HTZWHEJOSBWDDW-QFPXGYFVSA-N	282.387	4.013	50	50	CIGA	
Cc1ccc(COc2ccc(C=C(C#N)C#N)cc2)cc1	390478	LTVBHFCTTVAQFT-UHFFFAOYSA-N	274.323	4.005	50	50	CIGA	
Br[C@@H]1CC2c3ccccc3C1c1ccccc12	71775023	XHTDDOKTKFIKEQ-HWOWSKLDSA-N	285.184	4.431	50	50	CIGA	
O=C(Cl)c1cccc(OCc2ccc(F)cc2Cl)c1	40451492	KXYBJJOIBVUQFC-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCc1cc2ncc(C#N)cc2o1	169794231	RFSBZBGGTCCJSY-UHFFFAOYSA-N	288.423	4.221	50	50	CIGA	in-vitro
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1C	13111265	HAEYRZUDYKJQAA-NVNXTCNLSA-N	270.763	4.360	50	50	CIGA	
Cc1cc2nc(/C(C#N)=C/c3cccs3)[nH]c2cc1C	4809779	LDROANUFVLXCQH-XYOKQWHBSA-N	279.368	4.305	50	50	CIGA	
CCN(CCCl)Cc1ccc(Cl)c(Cl)c1	71058598	JPNABAUGQOSXGL-UHFFFAOYSA-N	266.599	4.054	50	50	CIGA	
Cc1ccc2nc(-c3ccc(N=C=O)cc3)sc2c1	2565826	DKMGYFQSCKPSEQ-UHFFFAOYSA-N	266.325	4.239	50	50	CIGA	
CC(C)(CCl)C(=O)Nc1cc(Cl)cc(Cl)c1	2569412	CWKAMLZYTCXHFC-UHFFFAOYSA-N	280.582	4.197	50	50	CIGA	
CC1(C)Cc2c(ccc3ccccc23)C(CCl)=N1	210134	MIONPLXIIXIDQD-UHFFFAOYSA-N	257.764	4.202	50	50	CIGA	
CCSc1sc(SC#N)cc1SC#N	2895818	QGKYHNRIEASIQN-UHFFFAOYSA-N	258.418	4.006	50	50	CIGA	
Cc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	4113341	KJAUJGXJTILJQM-UHFFFAOYSA-N	286.419	4.317	50	50	CIGA	
CCCCCCCCC/C=C/C[C@@H]1CC(=O)OC1=O	8585887	UYCICMIUKYEYEU-PLSXKVAHSA-N	266.381	4.163	50	50	CIGA	
C[C@@H](Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1	3266456	BSYZSMKURUVCRQ-LLVKDONJSA-N	275.735	4.045	50	50	CIGA	in-vitro
CCCCCCC/C(C)=N/NC(=O)c1ccccc1	102314128	UDTNBAJKWQOUPE-SAPNQHFASA-N	260.381	4.153	50	50	CIGA	
N#CC(C#N)=Cc1c2ccccc2cc2ccccc12	36190	RDMANBWYQHJIFZ-UHFFFAOYSA-N	254.292	4.424	50	50	CIGA	
Cc1cc(OCCOCCCl)c(C(C)C)cc1Cl	71771236	RDUDFDFODLXSAZ-UHFFFAOYSA-N	291.218	4.406	50	50	CIGA	
CC1=CC[C@@]23CCCCCCCCC[C@@]2(C1)C(=O)OC3=O	101047882	OSIHQJSVRPTYTA-QZTJIDSGSA-N	290.403	4.307	50	50	CIGA	
CC/C(C)=N/NC(=O)c1sc2ccccc2c1Cl	175542	HEFSDJGCFXIEGB-OVCLIPMQSA-N	280.780	4.070	50	50	CIGA	
Clc1ccc([C@H](Br)CBr)cc1	100190736	LBLPNCDPGCZTRP-MRVPVSSYSA-N	298.405	4.171	50	50	CIGA	in-vitro
CCOc1cc(C(=O)Cl)ccc1OCc1ccccc1	40451537	CXLYQAHEEZHWFU-UHFFFAOYSA-N	290.746	4.043	50	50	CIGA	
CCCCCC(=O)NN=C1c2ccccc2-c2ccccc21	2826199	UEGXETXUGCQXFJ-UHFFFAOYSA-N	292.382	4.116	50	50	CIGA	
N#C/C(=C\c1c(Cl)cccc1Cl)c1ccccn1	4547664	BZYWZSKVQGKCJK-CSKARUKUSA-N	275.138	4.453	50	50	CIGA	
N#C/C(=C1/C=CC(=NO)C(Cl)=C1Cl)c1ccccc1	257346488	KDHDVBPJWGLFSB-RVOOOTTKSA-N	291.137	4.053	50	50	CIGA	
FC(F)(F)Oc1cc(Cl)cc(CBr)c1	12359236	HMVSKKRMOPJKLU-UHFFFAOYSA-N	289.478	4.134	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2ccc(Cl)cc2)o1	406063	JBGIPJHZBZVUKW-UHFFFAOYSA-N	254.676	4.031	50	50	CIGA	
O=C(CCl)c1c(Cl)cc(Cl)cc1OC(F)F	263625271	YGEHUODKXWKPFO-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
C/C(=C\CC[C@@H](C)O)CO[Si](C)(C)C(C)(C)C	169832244	HPTKGTBOSQNNLE-CNELAYHGSA-N	258.478	4.116	50	50	CIGA	
O=C(Cl)c1ccc(Oc2ccc(C(=O)Cl)cc2)cc1	32098719	OSUWBBMPVXVSOA-UHFFFAOYSA-N	295.121	4.237	50	50	CIGA	in-vitro
N#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(F)c1	4739837	OUPWYEZGLXGOCJ-QINSGFPZSA-N	296.345	4.473	50	50	CIGA	
O=[N+]([O-])c1ccc2c(c1)[C@H](Br)c1ccccc1-2	2042784	MQMLOKJKGOPCKW-CYBMUJFWSA-N	290.116	4.060	50	50	CIGA	
CCCCCC(=O)N/N=C/c1c(Cl)cccc1Cl	2885774	HEZLIIRDJMLJAY-CXUHLZMHSA-N	287.190	4.024	50	50	CIGA	
CC(C)(C)OC(=O)n1ccc2ccc(CCl)cc21	95616355	WEESPQCUYZPFSJ-UHFFFAOYSA-N	265.740	4.163	50	50	CIGA	
CCOc1ccc2nc(Cl)c(CCl)cc2c1	11985102	JTGFBNJZNGEGIV-UHFFFAOYSA-N	256.132	4.026	50	50	CIGA	
CCCCC[C@H](C)C(=O)OC(=O)[C@@H](C)CCCCC	100290409	RWNXHDBPCPMSIB-KBPBESRZSA-N	270.413	4.489	50	50	CIGA	
CCOc1ccccc1NC(=O)[C@H](Cl)c1ccccc1	3276882	DXPVWTFFXLMQRH-OAHLLOKOSA-N	289.762	4.004	50	50	CIGA	
CCCCCCCCCC[C@H](Br)C(=O)OC	2556307	FKUJACXGZVGADB-LBPRGKRZSA-N	293.245	4.454	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCCc1ccc([N+](=O)[O-])cc1F	261493661	GROZAFCITVPRLF-UHFFFAOYSA-N	299.418	4.298	50	50	CIGA	
O=C(Cl)c1ccc(OCc2ccc(Cl)cc2)cc1	40451448	MGSCDDOPAIQSFP-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
Cc1nc2ccc(F)cc2c(Cl)c1CCCl	336635	VENGHQRTHAHFAY-UHFFFAOYSA-N	258.123	4.117	50	50	CIGA	
FC(F)(F)Oc1ccc(CBr)cc1Cl	2382251	YTXRMMJPEBWDPE-UHFFFAOYSA-N	289.478	4.134	50	50	CIGA	
O=C1c2ccccc2[C@H](C(Cl)=C(Cl)Cl)[C@@H]1Cl	3080715	QEJHEAITLJQAKW-YUMQZZPRSA-N	295.980	4.459	50	50	CIGA	
CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cl	40451394	DPIJNYBOYLZOCI-OAHLLOKOSA-N	274.747	4.276	50	50	CIGA	
Cc1cc(CBr)c(C)cc1CBr	2525318	MUSYLRHTIZVVCB-UHFFFAOYSA-N	292.014	4.093	50	50	CIGA	
Cc1ccc(/C=N/NC(=O)c2csc(C(C)C)c2)s1	2743905	MSILFPWEBURJQP-VIZOYTHASA-N	292.429	4.005	50	50	CIGA	
CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1	4947024	ICMCSFNYFHZGMG-SDNWHVSQSA-N	289.338	4.026	50	50	CIGA	
CN1C(=O)c2ccccc2[C@@H](Cl)c2cc(Cl)ccc21	2172338	LUKZLTGVQSDRDN-CQSZACIVSA-N	292.165	4.258	50	50	CIGA	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(F)cc3)nc2c1	3902140	QESDKRHLWVDIRS-UKTHLTGXSA-N	277.302	4.075	50	50	CIGA	
ClCCCSc1ccc(Br)cc1	2172929	BYTQFUCEFWXUPG-UHFFFAOYSA-N	265.603	4.170	50	50	CIGA	
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Cl)cc1	4735195	YFEVNYQOMHIJHG-LDTXJDIMSA-N	298.773	4.159	50	50	CIGA	
N#C/C(=C\c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1	437534	UGBODBXYSHGXHZ-UKTHLTGXSA-N	289.294	4.140	50	50	CIGA	
COc1ccc2nc(Cl)c(CCCCl)cc2c1	32099350	YTYKURZXNARJCD-UHFFFAOYSA-N	270.159	4.068	50	50	CIGA	
C[C@H](Br)c1ccccc1CBr	100684223	ZDIIQBBHSCTBSA-ZETCQYMHSA-N	277.987	4.037	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCCCCBr	169978460	YORLKVKBZRVNMZ-UHFFFAOYSA-N	267.283	4.183	50	50	CIGA	in-vitro
CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O	5256	MZOPWQKISXCCTP-UHFFFAOYSA-N	282.387	4.418	50	50	CIGA	endogenous,in-man
O=[N+]([O-])c1ccc2c(c1)-c1ccccc1[C@H]2Br	2165589	PXCXOASDSANYOW-CYBMUJFWSA-N	290.116	4.060	50	50	CIGA	
ClCC[C@@H](Br)c1ccc(Cl)cc1	136383829	JYFDEUATKCTIDE-SECBINFHSA-N	267.981	4.405	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1ccc(F)c([N+](=O)[O-])c1	261494526	ZSZOXGCHQFHTRH-UHFFFAOYSA-N	271.364	4.118	50	50	CIGA	
COc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	410117	YHMJEUFPFLEKOX-MHWRWJLKSA-N	279.339	4.076	50	50	CIGA	
N#C/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl	3075423	FQJAQNVIQMWXTO-NSCUHMNNSA-N	251.327	4.085	50	50	CIGA	
CC[P@@+]1(c2ccccc2)CC[C@@H](C)c2ccccc21	100696790	TZVLTNLNFBQIMZ-BEFAXECRSA-N	269.348	4.182	50	50	CIGA	
O=C(CCl)Nc1ccc(Oc2ccc(Cl)cc2)cc1	163093	LQBGPTCOVFQOIC-UHFFFAOYSA-N	296.153	4.310	50	50	CIGA	
O=C(Cl)c1cccc(OCc2c(F)cccc2Cl)c1	40451575	SBPODVSNMAYSPJ-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
Cl[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1Cl	42201	LJRRZUZPCONNBQ-QDIHITRGSA-N	275.178	4.492	50	50	CIGA	
CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	580311	WWNCYRNBXBNZBB-RVDMUPIBSA-N	294.310	4.058	50	50	CIGA	
CCN(CCBr)Cc1cccc2ccccc12	2039083	NQXKEZOQGPYBND-UHFFFAOYSA-N	292.220	4.057	50	50	CIGA	
CC1(C)CCC(Br)=C(CBr)C1	168214717	YMYLRPHPDYKLJX-UHFFFAOYSA-N	282.019	4.240	50	50	CIGA	
COc1cccc(/C(C#N)=C\C=C\c2ccccc2)c1	4531493	XDYIHBMJQYBVSC-UWEUVYFBSA-N	261.324	4.316	50	50	CIGA	
ClCc1cc(-c2ccc(Cl)c(Cl)c2)on1	5670930	OQWZFTJYWRGNRY-UHFFFAOYSA-N	262.523	4.387	50	50	CIGA	
FC(F)(F)c1ccc(Cl)c(CBr)c1	2560121	BWOOBQYXRVOJSZ-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	in-vitro
N#C/C(=C/c1c[nH]c2ccccc12)c1ccc(C#N)cc1	582367	YCBAYJHQYCKAPS-DHDCSXOGSA-N	269.307	4.104	50	50	CIGA	
COc1cccc(N/C=C(/C#N)c2ccc(Cl)cc2)c1	1743646	JSYRDLDBJZBSAA-QBFSEMIESA-N	284.746	4.325	50	50	CIGA	
CCc1cccc2c(C(=O)Cl)cc(-c3cccnc3)nc12	40457205	ZOKRMUBLUWGSDS-UHFFFAOYSA-N	296.757	4.238	50	50	CIGA	
CSc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1	615256	WBJSAVKMVPGVKU-ZROIWOOFSA-N	296.351	4.381	50	50	CIGA	
CN(C)c1ccc2c(c1)[C@H](Br)c1ccccc1-2	4558779	UZJWPZLDRIJVMT-OAHLLOKOSA-N	288.188	4.217	50	50	CIGA	
O=C(O)c1cc(S(F)(F)(F)(F)F)ccc1F	97949960	HQONRARZDMQSRY-UHFFFAOYSA-N	266.162	4.181	50	50	CIGA	
CC[C@@H](C)Sc1ccc(NC(=O)[C@H](F)Cl)c(C)c1	2325898415	BDHCCLHSIIAXJC-SKDRFNHKSA-N	289.803	4.359	50	50	CIGA	
CCCC/C(=N\NC(=O)c1cccc(C)c1)c1ccccc1	4950230	IUYYVOOJPIMVDG-CZIZESTLSA-N	294.398	4.319	50	50	CIGA	
N#C/C(=C/c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1	12363436	MXWMYJFESVXESI-YFHOEESVSA-N	290.731	4.374	50	50	CIGA	
O=C(Cl)c1ccccc1OCc1cccc(Cl)c1	40451462	DMBDEJFXGHBJKU-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
CCc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	16161333	RQOJWPXJBIQXJO-PTNGSMBKSA-N	273.339	4.189	50	50	CIGA	
COC(=O)[C@H](F)CCCCCO[Si](C)(C)C(C)(C)C	169806575	FYJMNVMKZNEKFC-GFCCVEGCSA-N	292.467	4.080	50	50	CIGA	
FC(F)(F)Sc1ccc(CBr)cc1	153635	VAYGJBCOCRVROJ-UHFFFAOYSA-N	271.101	4.193	50	50	CIGA	
Cc1cccc(/C(C#N)=C/c2ccc(N(C)C)cc2)c1	401146	MSDUYQJFOLOFDE-SFQUDFHCSA-N	262.356	4.125	50	50	CIGA	
COc1ccccc1/C=C/C=C(/C#N)c1ccc(F)cc1	401061	IMQBXBLWUCIPAC-ZGCWVLQWSA-N	279.314	4.455	50	50	CIGA	
Cl[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Cl	42202	LJRRZUZPCONNBQ-CKUJCDMFSA-N	275.178	4.492	50	50	CIGA	
Cc1cccc(C)c1NC(=O)[C@H](Cl)c1ccccc1	4578771	JFSFZYZETCRLQK-CQSZACIVSA-N	273.763	4.222	50	50	CIGA	
Cc1cc2c(cc1C)N(C(=O)CCl)C(C)(C)C[C@@H]2C	506506	PAEFRLGIAHYTTG-LBPRGKRZSA-N	279.811	4.161	50	50	CIGA	
C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	59998700	HYNRWIUEZHNDMG-UHFFFAOYSA-N	289.338	4.124	50	50	CIGA	
ClCc1nc2ccccc2n1CCc1ccccc1	5635368	YNDWQQUPXDSZJH-UHFFFAOYSA-N	270.763	4.018	50	50	CIGA	
CC1(C)OB(/C=C/CO[Si](C)(C)C(C)(C)C)OC1(C)C	170162455	LUURLZJMKOVITO-ZHACJKMWSA-N	298.308	4.196	50	50	CIGA	
CCCCCCCC[C@@H](Br)C(=O)OCC	2046214	IOOXHTJCOQWOJW-LLVKDONJSA-N	279.218	4.064	50	50	CIGA	
FC(F)(F)c1cnc(C(Cl)Cl)c(Cl)c1	138849542	BQYJIDXRAQIUIZ-UHFFFAOYSA-N	264.461	4.230	50	50	CIGA	
BrCc1cccc(OCc2ccccc2)c1	1420748	ITJWNXBZSFIJTP-UHFFFAOYSA-N	277.161	4.161	50	50	CIGA	in-vitro
O=C(Cl)c1ccccc1OCc1c(F)cccc1Cl	40451569	DXMVGMQMFSDVRJ-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CC=C[C@@]12CCCCC2=O	169831964	DHCSVGICXQCXMF-GDBMZVCRSA-N	280.484	4.466	50	50	CIGA	
O=C(Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1	5713942	YFCONVZSRNZPOG-UHFFFAOYSA-N	274.625	4.344	50	50	CIGA	
CCCCCCCCCC[C@H](Br)C(=O)O	1724288	HXKXBCBZXXQPPD-NSHDSACASA-N	279.218	4.365	50	50	CIGA	
Cc1ccc(C)c(OCCCCCBr)c1	44125275	QFKNHLRTRJXRMD-UHFFFAOYSA-N	271.198	4.247	50	50	CIGA	
CC[C@H](c1cc(Cl)cc(Cl)c1)N(C)C(=O)CCl	1875367656	ANXDELCUXJQVHR-LLVKDONJSA-N	294.609	4.142	50	50	CIGA	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	495858	LQKLMLDWVMTZPW-LCYFTJDESA-N	284.702	4.312	50	50	CIGA	
CCCCC[C@H](C)C(=O)OC(=O)[C@H](C)CCCCC	100290407	RWNXHDBPCPMSIB-OKILXGFUSA-N	270.413	4.489	50	50	CIGA	
O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1	137675715	AGKOJSPARVGXPI-UHFFFAOYSA-N	294.157	4.160	50	50	CIGA	
FC(F)Oc1c(Cl)ccc(Cl)c1CCl	263623199	FORDHKPEJIKWAW-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
O=C(CCl)c1cc(Cl)c(OC(F)F)c(Cl)c1	263624384	PYMVKCPUUUSEPT-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@H]2CC[C@]1(C)C(=O)C2	257357513	OKNUVSLYMOPCHS-MAZHCROVSA-N	282.500	4.404	50	50	CIGA	
CC1(C)CC(=O)CC[C@H]1O[Si](C)(C)C(C)(C)C	253533904	VTOKHDNDXNAPBN-GFCCVEGCSA-N	256.462	4.156	50	50	CIGA	
CCCCOP(=O)(OCCCC)/C(C#N)=C(/C)O	100291096	ZCFQLYVHSVOOTQ-QXMHVHEDSA-N	275.285	4.126	50	50	CIGA	
Cc1cc(Cl)c(CBr)c(Cl)c1	263624885	UWRICABMAPHCCG-UHFFFAOYSA-N	253.954	4.197	50	50	CIGA	
FC(F)(F)Sc1cccc(CBr)c1	2560235	MPZVFRHSCOOMNG-UHFFFAOYSA-N	271.101	4.193	50	50	CIGA	in-vitro
O=P(Cc1ccccc1)(c1ccccc1)c1ccccc1	301385	NXGAOFONOFYCNG-UHFFFAOYSA-N	292.318	4.201	50	50	CIGA	biogenic
CC(C)(C)c1ccc(N=C=S)c(Br)c1	4313169	FKPUFPMYTDXRCH-UHFFFAOYSA-N	270.195	4.481	50	50	CIGA	
ClC1=C[C@H]2C[C@@H]([C@@H]1Cl)[C@@H]1C[C@@H]3[C@H]([C@@H]21)C3(Cl)Cl	245312859	YBIOOWRLJAZNJQ-LQVZHZGGSA-N	298.040	4.422	50	50	CIGA	
CC(C)[C@@]12C[C@@H]1C(C)(C)[C@@]1(O[Si](C)(C)C)C[C@H]21	169836601	ZFJCBBPOZGVUCD-RJZRQDKASA-N	252.474	4.299	50	50	CIGA	
C[C@@H](Br)c1ccccc1C(F)(F)F	2168351	NRHZXDVOUGKSPA-ZCFIWIBFSA-N	253.061	4.161	50	50	CIGA	in-vitro
Cc1ccsc1/C=C(\C#N)c1nc(C2CC2)cs1	13014850	SJQVNCWDSMFJOQ-IZZDOVSWSA-N	272.398	4.455	50	50	CIGA	
Cc1cc(OCc2ccc(C=C(C#N)C#N)o2)ccc1Cl	2774914	SZKRSQOZNYIIBH-UHFFFAOYSA-N	298.729	4.251	50	50	CIGA	
ClC(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	100015698	LZOUTMTXULWVSU-UHFFFAOYSA-N	285.212	4.334	50	50	CIGA	
C=C(Br)CCO[Si](C)(C)C(C)(C)C	169830727	YGWCNFWCDRWNJD-UHFFFAOYSA-N	265.267	4.307	50	50	CIGA	
N#CSCCCCCCOc1cccc(Cl)c1	2875170	GXLGBIFVIWQOJE-UHFFFAOYSA-N	269.797	4.493	50	50	CIGA	
COc1ccc(/C(C#N)=C\C=C\c2ccccc2OC)cc1	4531494	BSLWPXLZBSNTPX-IURGNXBSSA-N	291.350	4.324	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1	263640012	STXAWCTYUYPPNT-UHFFFAOYSA-N	299.255	4.198	50	50	CIGA	
Clc1ccc(CBr)c2ccccc12	1565467	DJFAAOZRYCRATC-UHFFFAOYSA-N	255.542	4.388	50	50	CIGA	
Cc1cccc(/C(C#N)=C\c2ccc(Br)o2)c1	4821485	QXMKTZWWSIAJIF-WQLSENKSSA-N	288.144	4.415	50	50	CIGA	
C[Si](C)(CCCC#N)O[Si](C)(C)CCCC#N	170154787	WDWQNNPLLMFDRG-UHFFFAOYSA-N	268.509	4.021	50	50	CIGA	in-vitro
CCc1ccccc1NC(=O)C(C#N)=C1CCCCCC1	127308	BZTASJFRUHEECM-UHFFFAOYSA-N	282.387	4.362	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@@]12CCCCC2=O	169831967	DHCSVGICXQCXMF-GOEBONIOSA-N	280.484	4.466	50	50	CIGA	
O=C(NN(c1ccccc1)c1ccccc1)c1cccs1	271668	CGHALKQOLZRPLL-UHFFFAOYSA-N	294.379	4.231	50	50	CIGA	
C/C(C=C(C#N)C#N)=C\c1ccc(C(C)(C)C)cc1	25725856	OIASAVWSBWJWBR-UKTHLTGXSA-N	250.345	4.361	50	50	CIGA	in-vitro
CC(C)(C)[Si](C)(C)OCc1cnc2ccoc2c1	169794210	CNBRWQURLQCTGJ-UHFFFAOYSA-N	263.413	4.350	50	50	CIGA	in-vitro
N#C/C(=C/c1cccc(Cl)c1)c1ccc(C#N)cc1	582253	CWKLVOIGXMBNEI-NVNXTCNLSA-N	264.715	4.276	50	50	CIGA	
O=C(CCl)c1cc(Cl)c(OC(F)F)cc1Cl	263625231	XXVMOOMRTOJKDS-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1	16425216	QADNXWLNXWEOAP-DDHXKYOOSA-N	294.285	4.354	50	50	CIGA	
ClC1=C[C@H]2C[C@@H]([C@H]1Cl)[C@@H]1C[C@@H]3[C@H]([C@H]21)C3(Cl)Cl	252695311	YBIOOWRLJAZNJQ-NWSIEOHRSA-N	298.040	4.422	50	50	CIGA	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1cccc(Cl)c1	448682	RAYOHTRHUGUQEN-UHFFFAOYSA-N	281.746	4.178	50	50	CIGA	
Cc1ccccc1P(=O)(CC(C)C)c1ccccc1C	444893	AJOLSJSSQVZFOC-UHFFFAOYSA-N	286.355	4.273	50	50	CIGA	
O=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)Cl	458109	IMWUFOUPFGCHQE-UHFFFAOYSA-N	295.169	4.172	50	50	CIGA	
S=C=Nc1ccc(Br)c(Cl)c1Cl	15444553	WBGAXNJGLJECIJ-UHFFFAOYSA-N	282.977	4.490	50	50	CIGA	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1cccc(F)c1	4739843	PFAVNQUDHZHHDN-ATVHPVEESA-N	292.357	4.490	50	50	CIGA	
ClCCOc1cc(Cl)c(Cl)cc1Cl	32146775	QRAXLUVIRXAFDT-UHFFFAOYSA-N	259.947	4.264	50	50	CIGA	
Cc1ccc(-c2cc(C(=O)Cl)c3cccc(C)c3n2)o1	6318405	YUOREWZHOQQZTQ-UHFFFAOYSA-N	285.730	4.491	50	50	CIGA	
CCCCCc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1	5308975	SRJMENFNFIUKMV-XMHGGMMESA-N	298.386	4.166	50	50	CIGA	
CC(C)(C)c1ccc(OCCCBr)cc1	1871250	ICMBGLLJDBJDQT-UHFFFAOYSA-N	271.198	4.148	50	50	CIGA	
BrCC[S+](c1ccccc1)c1ccccc1	59042594	CPUOTDPFSSLRJO-UHFFFAOYSA-N	294.237	4.118	50	50	CIGA	in-vitro
FC(F)(F)Oc1ccc(N=C=S)c(Br)c1	15444670	FREVEYHDZHNTGJ-UHFFFAOYSA-N	298.083	4.082	50	50	CIGA	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	75436	RTDWPLYDMXBIEL-MDWZMJQESA-N	284.702	4.312	50	50	CIGA	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1ccccc1F	5028060	ZUFAAHBQEPGNPM-SSZFMOIBSA-N	292.357	4.490	50	50	CIGA	
Fc1cc(Cl)c(Cl)cc1CBr	263623151	FDESMLATLFQIIC-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
FC(F)(F)[C@H](Br)c1ccc(Cl)cc1	58143577	ITNDUQJYMQWYAI-SSDOTTSWSA-N	273.479	4.338	50	50	CIGA	
COC(OC)c1ccc(O[Si](C)(C)C(C)(C)C)cc1	195835152	DGWQQAQYHUNLGD-UHFFFAOYSA-N	282.456	4.362	50	50	CIGA	in-vitro
CC(C)[C@@]12C[C@@H]1C(C)(C)[C@]1(O[Si](C)(C)C)C[C@@H]21	257359245	ZFJCBBPOZGVUCD-DHMWGJHJSA-N	252.474	4.299	50	50	CIGA	
C/C(=C\CCC1OCCO1)CO[Si](C)(C)C(C)(C)C	169833583	GXKPSXPTSDCLIE-MDWZMJQESA-N	286.488	4.108	50	50	CIGA	
C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(C=O)s1	170019071	RSSNFOKOPVUOMH-VIFPVBQESA-N	271.458	4.038	50	50	CIGA	
C#Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1F	952959893	VCVSDGXCTIHEPP-UHFFFAOYSA-N	250.389	4.191	50	50	CIGA	
Cc1onc(-c2ccc(Cl)cc2)c1CBr	86012892	XNDFGMNICCDLGJ-UHFFFAOYSA-N	286.556	4.198	50	50	CIGA	in-vitro
FS(F)(F)(F)(F)c1ccc2nccnc2c1	103865842	LMAHWDNCSMTECH-UHFFFAOYSA-N	256.199	4.287	50	50	CIGA	
Fc1cc(Cl)c(CBr)c(Cl)c1	263624950	VMCKBMKAAMUGNZ-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
Fc1c(Cl)cc(C(F)(F)F)cc1CBr	2382182	SPNVJHWULHTZHG-UHFFFAOYSA-N	291.469	4.393	50	50	CIGA	
N#CSc1ccc(NC(=O)c2cc3ccccc3o2)cc1	11666746	AOFHIZFZSWCRIM-UHFFFAOYSA-N	294.335	4.258	50	50	CIGA	
Fc1cc(Cl)cc(Cl)c1CBr	263622759	AQRXGVFLWPOSQD-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
C[C@H](Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	3281069	UWAQSZNPRHXKKT-BYPYZUCNSA-N	286.973	4.213	50	50	CIGA	
Cn1cccc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	5064449	PYXBHEIILSZBGG-XFFZJAGNSA-N	277.154	4.396	50	50	CIGA	
FC(F)Oc1cc(CCl)cc(Cl)c1Cl	263623713	JYVVHVJPYYFZKD-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
C[C@@H]1C[C@@H]2[C@H](C=C1[C@]1(O)CCCC[C@H]1Cl)C2(C)C	71786674	NWNPNDPALGKKGQ-RSQMQNDGSA-N	268.828	4.137	50	50	CIGA	
COc1ccc(N[C@@H]2CCC[C@@H](Cl)[C@@H]2C)c(C)c1	43199352	HQYJRYHUORMGIN-NJZAAPMLSA-N	267.800	4.212	50	50	CIGA	
CC(C)(C)[Si](C)(C)C(Br)Br	170154289	XINIZQRUNWPXNM-UHFFFAOYSA-N	288.099	4.150	50	50	CIGA	
CN1C(=O)c2ccccc2[C@H](Cl)c2cc(Cl)ccc21	2172337	LUKZLTGVQSDRDN-AWEZNQCLSA-N	292.165	4.258	50	50	CIGA	
O=C(CCl)c1c(Cl)ccc(Cl)c1OC(F)F	263625418	ZUACXFXSAFQXAP-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
N#C/C(=C\c1ccc[nH]1)Sc1nc2ccccc2s1	1079748	JWLXWCKZQPZSPM-DHZHZOJOSA-N	283.381	4.281	50	50	CIGA	
FC(F)Oc1cc(Cl)cc(Cl)c1CCl	263622703	ACJFIBJNSFABMR-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
Clc1ccc(OCCCBr)c(Cl)c1	1694635	ULFFEDBFOCOYOH-UHFFFAOYSA-N	283.980	4.157	50	50	CIGA	
N#C/C(=C/Nc1ccccc1O)c1ccc(Cl)cc1	1743663	GRNRVVBAAGLOLZ-BENRWUELSA-N	270.719	4.022	50	50	CIGA	
ClC1=C[C@H]2C[C@@H]([C@@H]1Cl)[C@@H]1C[C@@H]3[C@@H]([C@@H]21)C3(Cl)Cl	226919971	YBIOOWRLJAZNJQ-KFACXCKNSA-N	298.040	4.422	50	50	CIGA	
COC(=O)CCCCCCO[Si](C)(C)C(C)(C)C	196203001	SZQNWRCZHPDCGA-UHFFFAOYSA-N	274.477	4.132	50	50	CIGA	
BrCCCCOc1cccc2ccccc12	22780338	ZBAUZCCUGCBNMC-UHFFFAOYSA-N	279.177	4.394	50	50	CIGA	
CCOc1ccccc1NC(=O)[C@@H](Cl)c1ccccc1	3276884	DXPVWTFFXLMQRH-HNNXBMFYSA-N	289.762	4.004	50	50	CIGA	
O=C(CCl)N1c2ccccc2C=Cc2ccccc21	112441	KRNSRCBAMKWWLM-UHFFFAOYSA-N	269.731	4.074	50	50	CIGA	
Cc1cc(CBr)cc(Cl)c1Cl	263623546	IKGWFLSNMJWAJE-UHFFFAOYSA-N	253.954	4.197	50	50	CIGA	
O=C(CBr)c1ccc2oc3ccccc3c2c1	4798278	RDWCRZMXSYYAPF-UHFFFAOYSA-N	289.128	4.164	50	50	CIGA	
C#CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1	2848264	ZITHTXBJZUCHNT-VBKFSLOCSA-N	293.753	4.416	50	50	CIGA	
N#CSCCCCCOc1ccccc1Cl	2880376	SLGGOGMOMHIRAQ-UHFFFAOYSA-N	255.770	4.103	50	50	CIGA	
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C	2039992	ODBCKCWTWALFKM-UHFFFAOYSA-N	286.412	4.040	50	50	CIGA	
CCCCCCCCC(=O)N/N=C/c1ccsc1C	2900090	CDSMNPXMXSDTQL-FOWTUZBSSA-N	280.437	4.257	50	50	CIGA	
CCOc1ccccc1/C=C(/C#N)c1ccc(C#N)cc1	16394013	SLGXLNBAEDOSKB-BOPFTXTBSA-N	274.323	4.021	50	50	CIGA	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1ccccn1	4547677	JMKLOSKLIKKXPN-YRNVUSSQSA-N	275.138	4.453	50	50	CIGA	
FC(F)(F)c1ccc(Br)c(N=C=S)c1	31829447	XPKODFKZRHFVTC-UHFFFAOYSA-N	282.084	4.202	50	50	CIGA	
O=C(N=C=S)OCC1c2ccccc2-c2ccccc21	2575695	DHMYULZVFHHEHE-UHFFFAOYSA-N	281.336	4.038	50	50	CIGA	in-vitro
COc1ccccc1/C(C#N)=C\C=C\c1ccccc1	4531495	YWKSETUAQDZJEN-CRWKAAGYSA-N	261.324	4.316	50	50	CIGA	
O[C@]1(c2ccccc2C(F)(F)F)CCCC[C@H]1Cl	44125623	PERZXZXQNVAZBP-NEPJUHHUSA-N	278.701	4.074	50	50	CIGA	
C=CCCC[P+](C)(c1ccccc1)c1ccccc1	100696740	TYHYNWWWNMJLSV-UHFFFAOYSA-N	269.348	4.251	50	50	CIGA	
O=C(Cl)c1ccccc1OCc1ccc(Cl)cc1	200618822	HELMBLZDPJHZQC-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
C[C@@H]1C(=O)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3CC[C@H]1[C@H]23	169833777	DMFLIISZNAELGE-DEPYFDJDSA-N	294.511	4.258	50	50	CIGA	
COC(=O)CCCCCCCCCCCBr	5719867	QNXOHINFQALBQN-UHFFFAOYSA-N	293.245	4.455	50	50	CIGA	
Cc1cc(Cl)cc(Br)c1N=C=S	15443872	IUYSWGWHPUQPTB-UHFFFAOYSA-N	262.559	4.145	50	50	CIGA	
O=C(Cl)c1ccc(OCc2ccc(F)cc2Cl)cc1	40451491	XXXKXVDLILPKKS-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
Cc1c(Cl)cc(Cl)cc1CBr	263623679	JQQHBIMZQVCUQH-UHFFFAOYSA-N	253.954	4.197	50	50	CIGA	
CCc1cccc(C)c1NC(=O)[C@H](Cl)c1ccccc1	5674438	OOUORCJIBQFGRL-OAHLLOKOSA-N	287.790	4.476	50	50	CIGA	
CCCCCCCCCC[Si](OC)(OC)OC	169746964	KQAHMVLQCSALSX-UHFFFAOYSA-N	262.466	4.005	50	50	CIGA	in-vitro
CSc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	4149640	WWKDAMGCEWPKAZ-JLHYYAGUSA-N	291.379	4.349	50	50	CIGA	
Cc1ccc(/C=C(/C#N)c2ccc(Br)cc2)o1	4821166	QSKRMUILCQQEPA-WQLSENKSSA-N	288.144	4.415	50	50	CIGA	
C=C(C[C@H](O)C(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C	169834679	NTPIOZATDRVJFD-KBPBESRZSA-N	272.505	4.360	50	50	CIGA	
N#C/C(=C\c1ccc2cccnc2c1)c1nc2ccccc2[nH]1	4171495	UPEDJBRWTYOBRY-XNTDXEJSSA-N	296.333	4.175	50	50	CIGA	
COc1cc(CCl)ccc1OCc1ccccc1	1678407	RWYQBTIHSCUXJR-UHFFFAOYSA-N	262.736	4.013	50	50	CIGA	biogenic
CC(/C=C/c1ccccc1)=N\NC(=O)c1cccc(Cl)c1	4596834	LKZBHNVMISQRTC-LHBLNFFHSA-N	298.773	4.159	50	50	CIGA	
FC(F)(CBr)c1cc(Cl)ccc1Cl	95147704	IMHIVRKQUPVYFB-UHFFFAOYSA-N	289.934	4.480	50	50	CIGA	
O=C(Cl)c1ccc(OCc2c(F)cccc2Cl)cc1	40451541	FOJZJXGEWNIRHY-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
CC[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C(=O)CCl	1875367657	ANXDELCUXJQVHR-NSHDSACASA-N	294.609	4.142	50	50	CIGA	
Clc1ccc(OCCCCCBr)cc1	2566736	XJLIDPAXSFPBFE-UHFFFAOYSA-N	277.589	4.284	50	50	CIGA	
CCC(CC)[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21	253470708	AJLSDXUGIVUGED-KRWDZBQOSA-N	292.382	4.446	50	50	CIGA	
Cn1c(/C(C#N)=C\c2cccc(Cl)c2)nc2ccccc21	12374254	ZNVVVJMFLQCBKL-LCYFTJDESA-N	293.757	4.291	50	50	CIGA	
CC(C)(C)OC(=O)CCCCCCCBr	39128112	HGJYTBCLFXAZMO-UHFFFAOYSA-N	279.218	4.064	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12CC[C@@H](O)C2	169837504	VOZGCXJIOQGVEH-IPYPFGDCSA-N	270.489	4.092	50	50	CIGA	
FC(F)Oc1ccc(Cl)c(Cl)c1CCl	263624755	TXZIMIOFEPJTBH-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
CCc1cccc(C)c1NC(=O)[C@@H](Cl)c1ccccc1	5674442	OOUORCJIBQFGRL-HNNXBMFYSA-N	287.790	4.476	50	50	CIGA	
Cc1cccc(/C(C#N)=C\c2cc3c(cc2Cl)OCO3)c1	4857934	MUUFTRULSIATIP-NSIKDUERSA-N	297.741	4.441	50	50	CIGA	
C=C(C[C@H](O)C(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C	169834675	NTPIOZATDRVJFD-KGLIPLIRSA-N	272.505	4.360	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cc(F)c([N+](=O)[O-])c(F)c1	261493442	BDOZLEZPBLRPEF-UHFFFAOYSA-N	289.354	4.257	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCc1cc2ncc(O)cc2o1	169794222	PVBHQEAUBNFSDB-UHFFFAOYSA-N	279.412	4.055	50	50	CIGA	in-vitro
CC1=CC[C@]23CCCCCCCCC[C@@]2(C1)C(=O)OC3=O	101047879	OSIHQJSVRPTYTA-ZWKOTPCHSA-N	290.403	4.307	50	50	CIGA	
O=C(O)c1ccccc1SSc1ccccc1	332451	ZKQOJMBQFLYPQB-UHFFFAOYSA-N	262.355	4.184	50	50	CIGA	
N#C/C(=C\c1cccc2ccccc12)c1ccccn1	4347859	LFWISBONUKNTDB-FOWTUZBSSA-N	256.308	4.299	50	50	CIGA	
CCOC(=O)[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1	498051125	VFEJEBVELPDVHI-BETUJISGSA-N	286.488	4.130	50	50	CIGA	
N#CC(C(=O)Nc1cccc2ccccc12)=C1CCCC1	448497	ZAAFLNDUZIXSLW-UHFFFAOYSA-N	276.339	4.172	50	50	CIGA	
Cn1cccc1/C=C(/C#N)c1ccc2ccccc2c1	4840152	KEWPWDYTRXWXGC-ATVHPVEESA-N	258.324	4.242	50	50	CIGA	
Cn1nc(CCl)cc1-c1cccnc1Oc1ccccc1	63772339	IILNIMSWFVXAHY-UHFFFAOYSA-N	299.761	4.013	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H]2C[C@@H]2[C@H]2C[C@H]12	169828018	WUYXJOHLAIMJDP-BJJPWKGXSA-N	250.458	4.219	50	50	CIGA	
ClCc1csc(-c2ccc(Br)cc2)n1	19737260	IPQIHPFSKRRXPT-UHFFFAOYSA-N	288.597	4.311	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	35237	GGYZGUZNSJIEAT-UHFFFAOYSA-N	288.228	4.396	50	50	CIGA	
CSc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	16319845	GPMJWAVLOZARCH-UVTDQMKNSA-N	296.351	4.381	50	50	CIGA	
C[C@H](CCl)C(C#N)(c1ccccc1)c1ccccc1	1760651	PEHXKUSWSJTMRC-CQSZACIVSA-N	269.775	4.371	50	50	CIGA	in-vitro
FC(F)(F)Sc1ccccc1CBr	2560234	ZSBCQBRVNBLWAW-UHFFFAOYSA-N	271.101	4.193	50	50	CIGA	
O=C(CCl)c1cc(Cl)cc(Cl)c1OC(F)F	263624452	QOZPPZDYISURQI-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
FC(F)(F)c1cc(Cl)ccc1CBr	2527763	LFFCKOROEHFKQA-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	in-vitro
Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3F)nc2c1	4713332	TZVUMZBRDIKGPI-UKTHLTGXSA-N	277.302	4.075	50	50	CIGA	
N#C/C(=C/c1ccccc1Cl)c1ccc(C#N)cc1	16394021	LWYQDHFMBSSWNR-DHDCSXOGSA-N	264.715	4.276	50	50	CIGA	
C=C1C[C@@]2(C)CC[C@H]1C(=O)[C@H]2O[Si](C)(C)C(C)(C)C	257358357	SZKBWQNNUWOWOS-XNRPHZJLSA-N	280.484	4.322	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1F	261493881	LGTUGZYJHGUBHX-UHFFFAOYSA-N	271.364	4.118	50	50	CIGA	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccccn1	4547652	YKNYPTWILVGMFY-YRNVUSSQSA-N	275.138	4.453	50	50	CIGA	
O=C(Cl)c1cccc(OCc2ccccc2Cl)c1	40451447	BWGBAVYUUAYSLZ-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
CCOc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	4454030	PCONULAFZDIFLU-UVTDQMKNSA-N	289.338	4.026	50	50	CIGA	
FC(F)Oc1cc(Cl)cc(CCl)c1Cl	263624377	PWTLQMYWJFJBBN-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cccc2c1C(=O)CC2	584618522	KTWABKRZEHGTDS-UHFFFAOYSA-N	262.425	4.200	50	50	CIGA	
O=[N+]([O-])c1ccc(Oc2ccc(N=C=S)cc2)cc1	1821	SVMGVZLUIWGYPH-UHFFFAOYSA-N	272.285	4.121	50	50	CIGA	in-man
C[C@H]1C(=O)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3CC[C@H]1[C@H]23	169833774	DMFLIISZNAELGE-JEWKUQAESA-N	294.511	4.258	50	50	CIGA	
BrCCCCCCCCO[C@H]1CCCCO1	2146692	JCRBYQZIJFWGOO-CYBMUJFWSA-N	293.245	4.265	50	50	CIGA	in-vitro
C/C(=C\CC[C@H](C)O)CO[Si](C)(C)C(C)(C)C	169832242	HPTKGTBOSQNNLE-SRXBQZRASA-N	258.478	4.116	50	50	CIGA	
O=C(Cl)c1cc2cccc(Br)c2s1	263623195	FNEHTZMCHNATBL-UHFFFAOYSA-N	275.554	4.043	50	50	CIGA	
O=C(Cl)c1csc(-c2ccc(C(F)(F)F)cc2)n1	4287644	UTJDFPDNFUKZIS-UHFFFAOYSA-N	291.681	4.208	50	50	CIGA	
FC(F)(F)Oc1cccc(Cl)c1CBr	238536146	COHYTMOYGPWHHN-UHFFFAOYSA-N	289.478	4.134	50	50	CIGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCCCC1	510979	HPCWCAGUFRYERA-RQZCQDPDSA-N	299.201	4.024	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cccc([N+](=O)[O-])c1F	261494485	YSRYJGKAYJRVQG-UHFFFAOYSA-N	271.364	4.118	50	50	CIGA	
FC(F)(F)c1cc(Cl)nc(SCCCl)c1	43179106	PXUYWDYLZFNVDX-UHFFFAOYSA-N	276.110	4.085	50	50	CIGA	
O=C(CCl)c1cc(OC(F)F)cc(Cl)c1Cl	263625243	YAJZAUDURNTUSE-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
Cc1cc(O[Si](C)(C)C)ccc1O[Si](C)(C)C	169746709	IPYOHMJSEPFQSQ-UHFFFAOYSA-N	268.505	4.422	50	50	CIGA	
COc1ccc(OC)c(/C=C(/C#N)c2ccc(Cl)cc2)c1	388880	NVOUAJXPRGRKKD-ZROIWOOFSA-N	299.757	4.421	50	50	CIGA	
COc1ccc(/C=C/C=C(/C#N)c2ccc(F)cc2)cc1	1057574	BPQNOUQCVAHSEU-CYTILCLQSA-N	279.314	4.455	50	50	CIGA	
Cc1cccc(C)c1OCCCCCBr	22780393	GLAGQWXHCLUKNX-UHFFFAOYSA-N	271.198	4.247	50	50	CIGA	
CC1(C)[C@@H]2C[C@@H]3[C@](C)(Cl)[C@]3(O[Si](C)(C)C)[C@@H]1C2	216453355	MMXUETNRVWJWHM-AXMVNOCNSA-N	272.892	4.270	50	50	CIGA	
O=C(Cl)O[C@H](Cl)c1ccccc1C(F)(F)F	4529503	KQELEQGMABOYIM-ZETCQYMHSA-N	273.037	4.318	50	50	CIGA	
CN(C)c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1	17159548	JYSGNKFGNNTQNO-PTNGSMBKSA-N	282.774	4.470	50	50	CIGA	
O[C@@]1(c2ccccc2C(F)(F)F)CCCC[C@@H]1Cl	44125611	PERZXZXQNVAZBP-NWDGAFQWSA-N	278.701	4.074	50	50	CIGA	
COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	53913	JAPMLODSGOYOHE-NTEUORMPSA-N	299.757	4.421	50	50	CIGA	
O=C1CCCCCCCCCC[C@@H]1Br	2010947	YGXQOFXPYXFZFY-NSHDSACASA-N	261.203	4.234	50	50	CIGA	in-vitro
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	75440	RTDWPLYDMXBIEL-JYRVWZFOSA-N	284.702	4.312	50	50	CIGA	
O=C(NN=C1CCCC1)c1sc2ccccc2c1Cl	334783	SSMUZTAHBRYHGI-UHFFFAOYSA-N	292.791	4.215	50	50	CIGA	
COc1ccc(CCl)cc1OCc1ccccc1	1719174	WVWFKLUFYXQFHO-UHFFFAOYSA-N	262.736	4.013	50	50	CIGA	biogenic
O=[N+]([O-])c1ccc2c(c1)-c1ccccc1[C@@H]2Br	1716262	PXCXOASDSANYOW-ZDUSSCGKSA-N	290.116	4.060	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CBr)C1	606303172	LWKQKLVVDFSUIX-AOOOYVTPSA-N	279.294	4.182	50	50	CIGA	
CCc1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1	448709	YBMYWTFFIJIKPJ-UHFFFAOYSA-N	275.355	4.087	50	50	CIGA	
OCCCCCCCCCCCCBr	2047662	ASIDMJNTHJYVQJ-UHFFFAOYSA-N	265.235	4.275	50	50	CIGA	in-vivo
N#C/C(=C\c1ccco1)c1nc(-c2ccccc2)cs1	4020307	SSRQBWIPDFIOQZ-UKTHLTGXSA-N	278.336	4.467	50	50	CIGA	
O=C(Cl)c1cccc(OCc2cccc(Cl)c2)c1	40451467	LKBYYJJQHIUMPH-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
O=C(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1	40451546	AGXAJOHSPMEURE-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
[C-]#[N+][C@@H](c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1	100000485	GGEVCMLDVLELSH-QGZVFWFLSA-N	299.395	4.004	50	50	CIGA	in-vitro
C[C@H](Br)c1ccccc1C(F)(F)F	2168350	NRHZXDVOUGKSPA-LURJTMIESA-N	253.061	4.161	50	50	CIGA	in-vitro
COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1	12420214	VXRHURWDVQKETO-UVTDQMKNSA-N	269.731	4.413	50	50	CIGA	
O=C1c2ccccc2[C@@H](C(Cl)=C(Cl)Cl)[C@@H]1Cl	3080713	QEJHEAITLJQAKW-SFYZADRCSA-N	295.980	4.459	50	50	CIGA	
Cc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1C	4811056	ITUXLQWQEVIODT-XNTDXEJSSA-N	273.339	4.244	50	50	CIGA	
O=C(CCl)c1c(Cl)ccc(OC(F)F)c1Cl	263624254	OTBFXSIRDONDBC-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
N#C/C(=C\c1ccc2c(c1)OCO2)c1ccccc1Cl	401141	WSHYMOXWSMESML-KPKJPENVSA-N	283.714	4.133	50	50	CIGA	
COC(=O)CCCCCCCCCCBr	1718714	HFNPVFKUZYCDIB-UHFFFAOYSA-N	279.218	4.065	50	50	CIGA	in-vitro
COc1ccc(/C=C(\C#N)c2cccs2)cc1Cl	8781880	VYBFYVODTKVJJW-YRNVUSSQSA-N	275.760	4.474	50	50	CIGA	
N#C/C=C\c1ccccc1-c1ccccc1/C=C\C#N	252495781	OZYQHRNTUUBROW-OZDSWYPASA-N	256.308	4.427	50	50	CIGA	
CSc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1	4821453	XJFRBHWZKWGHPO-GDNBJRDFSA-N	295.363	4.171	50	50	CIGA	
FC(F)(F)c1ccc(CCl)c(C(F)(F)F)c1	2575063	DPKQSESRNWBUFZ-UHFFFAOYSA-N	262.580	4.463	50	50	CIGA	
Cc1ccc(/C(C#N)=C\c2cc(C)n(C)c2C)cc1	4501684	ZBODWKJLFNNSLL-YVLHZVERSA-N	250.345	4.015	50	50	CIGA	
Cc1cc(C(=O)O)cc(S(F)(F)(F)(F)F)c1	97949985	DHRPCCNJMXXYMQ-UHFFFAOYSA-N	262.199	4.351	50	50	CIGA	
CC1=C(C#N)[C@@H](C2CCCCC2)C2=C(CC(C)(C)CC2=O)N1	408681	FRFNSTLQGZFSFK-QGZVFWFLSA-N	298.430	4.227	50	50	CIGA	
O=C(Cl)c1cc(Cl)ccc1OCc1ccccc1F	40451547	KTJLYFBBCDQPJS-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
BrCc1cccc(Oc2ccccc2)c1	1436033	UJUNUASMYSTBSK-UHFFFAOYSA-N	263.134	4.374	50	50	CIGA	in-vitro
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl	2510210	IZQGELJKDARDMZ-UHFFFAOYSA-N	290.533	4.336	50	50	CIGA	in-vitro
Cc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1	6681968	LMHQSAZLTVLUOO-XNTDXEJSSA-N	273.339	4.244	50	50	CIGA	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCl	1253968175	KTZMRCSMVNBPAC-CYBMUJFWSA-N	287.790	4.112	50	50	CIGA	
O=C(CCl)N1c2ccccc2Sc2ccccc21	507778	NVRFGQJNKQLUPU-UHFFFAOYSA-N	275.760	4.055	50	50	CIGA	
C#CCOc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1	2850994	JUVDEWNWZCXFOM-WJDWOHSUSA-N	293.753	4.416	50	50	CIGA	
C=CCCCCCCCCC(=O)N/N=C/c1ccccc1	1741078	SKZMDFJOKXNIBH-KNTRCKAVSA-N	286.419	4.444	50	50	CIGA	
C[C@H](Cl)OC(=O)Sc1ccc(Cl)cc1	3080901	ROCLDKMGAXQVHQ-ZCFIWIBFSA-N	251.134	4.154	50	50	CIGA	
ClCc1csc(C23CC4CC(CC(C4)C2)C3)n1	4614376	ADUVVOVMHYJPLH-UHFFFAOYSA-N	267.825	4.350	50	50	CIGA	
C/C(=N\NC(=O)c1cccs1)c1ccc2ccccc2c1	5024832	DJYKJOQULWTKMR-LDADJPATSA-N	294.379	4.055	50	50	CIGA	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2cccc(C)c2)C1	4551667	HTZWHEJOSBWDDW-UHHPSXQGSA-N	282.387	4.013	50	50	CIGA	
N#C/C(=C1/C=CC(=NO)C(Cl)=C1)c1ccc(Cl)cc1	254047084	KASFVGQOBYGUEY-WOBBRCIPSA-N	291.137	4.140	50	50	CIGA	
FC(F)(F)c1ccc(CCl)c(Br)c1	2243172	FFTAVZITFBFVEC-UHFFFAOYSA-N	273.479	4.207	50	50	CIGA	biogenic,in-vitro
CC(=O)Nc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1	13467614	JCUOFOOLBKWBKD-GZTJUZNOSA-N	276.339	4.018	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12CC[C@H](O)C2	169837502	VOZGCXJIOQGVEH-KCQAQPDRSA-N	270.489	4.092	50	50	CIGA	
Fc1cc(F)c2sc(CBr)cc2c1	255189553	QPYUJBATJXQZLF-UHFFFAOYSA-N	263.106	4.074	50	50	CIGA	
COc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)cc1	6245050	RIGRAYGPBGPWCR-UHFFFAOYSA-N	297.741	4.289	50	50	CIGA	
CCc1cc(Br)cc(CC)c1N=C=S	15444480	AHSBEJJMBBGQLP-UHFFFAOYSA-N	270.195	4.308	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1	324303	JLSXRWXIGUYGRU-UHFFFAOYSA-N	299.127	4.140	50	50	CIGA	
COc1ccccc1/C=C/C=C(/C#N)c1ccccc1F	401052	GCWAYDSJJYOIKT-KEBRMTTGSA-N	279.314	4.455	50	50	CIGA	
Cc1ccc2nc(-c3ccc(C)o3)cc(C(=O)Cl)c2c1	6279229	BUFVZOSCMZVNFP-UHFFFAOYSA-N	285.730	4.491	50	50	CIGA	
CCCN(C(=O)[C@@H](F)Cl)[C@@H](C)c1cc2ccccc2o1	2325897840	KIRZVVKFAQTVJN-IINYFYTJSA-N	297.757	4.267	50	50	CIGA	
N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccccc1	1699051	FYLYJFHTUXMPDE-UHFFFAOYSA-N	288.394	4.260	50	50	CIGA	
FC(F)(F)c1cc(Br)cc(N=C=S)c1	31829448	PYUHPMXARCWIAW-UHFFFAOYSA-N	282.084	4.202	50	50	CIGA	
CCC(CC)=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1	4507536	WCYFWHLLUALMDZ-JTQLQIEISA-N	298.839	4.113	50	50	CIGA	
CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	25667527	WWNCYRNBXBNZBB-PTNGSMBKSA-N	294.310	4.058	50	50	CIGA	
N#C/C(=C/c1ccc(Br)o1)c1ccc(F)cc1	5069152	WXJJANUKOYFMDO-YFHOEESVSA-N	292.107	4.245	50	50	CIGA	
C[C@@H](Br)c1cccc(C(F)(F)F)c1	2566209	AJBWDFPJLDDEPQ-ZCFIWIBFSA-N	253.061	4.161	50	50	CIGA	in-vitro
C[C@H](Br)c1ccc(OC(F)(F)F)cc1	36894592	RNXABUQTPSAAJW-LURJTMIESA-N	269.060	4.041	50	50	CIGA	
CCn1c2ccccc2c2cc(C=C(C#N)C#N)ccc21	1872735	GPDAEYPCJRBSRB-UHFFFAOYSA-N	271.323	4.245	50	50	CIGA	
CCN1/C(=C/C=C(\C)C=O)Sc2c1ccc1c2CCCC1	4595360	BCPDUTURQZVXDE-AUUIUALZSA-N	299.439	4.484	50	50	CIGA	
O=C(O)CCCCCCCCCCCN=C=S	117167918	DTIPKHFBFKTCDK-UHFFFAOYSA-N	257.399	4.075	50	50	CIGA	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCl	1253968179	KTZMRCSMVNBPAC-ZDUSSCGKSA-N	287.790	4.112	50	50	CIGA	
N#C/C(=C/c1ccc(Br)o1)c1cccc(F)c1	4739835	MWKPXSMBRILOKI-YFHOEESVSA-N	292.107	4.245	50	50	CIGA	
COC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	524545	HQGXICWFKSGEMX-RVDMUPIBSA-N	287.318	4.073	50	50	CIGA	
Cc1ccc(-c2c(C(=O)Cl)csc2C)cc1	40451423	JAXFTBDXJCIKJQ-UHFFFAOYSA-N	250.750	4.411	50	50	CIGA	
FC(F)c1cccc(Br)c1CBr	238701950	WZMMEBJQPPDAQJ-UHFFFAOYSA-N	299.940	4.282	50	50	CIGA	
CCCCCC(=O)N/N=C/c1cccc(Cl)c1Cl	2885786	SBGHADYKAYJRKE-CXUHLZMHSA-N	287.190	4.024	50	50	CIGA	
Cl[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1Cl	100663886	LJRRZUZPCONNBQ-STONLHKKSA-N	275.178	4.492	50	50	CIGA	
BrCCOc1cccc(Oc2ccccc2)c1	44122934	VWXNMSXQEGSUEP-UHFFFAOYSA-N	293.160	4.253	50	50	CIGA	
CCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1	195834965	ZJJMIOGRUQQIQZ-UHFFFAOYSA-N	280.440	4.247	50	50	CIGA	
CCC1CCC(C(=O)OC(=O)C2CCC(CC)CC2)CC1	100541911	UHRGGAFSKGLANQ-UHFFFAOYSA-N	294.435	4.489	50	50	CIGA	
N#C/C(=C\c1ccc(F)cc1)c1nc(C2CC2)cs1	4598774	KIAREXDRTGYLBO-KPKJPENVSA-N	270.332	4.224	50	50	CIGA	
Cc1ccc2c(C(=O)Cl)cc(-c3ccccn3)nc2c1C	40451314	KFDVGYIGIKFEOX-UHFFFAOYSA-N	296.757	4.293	50	50	CIGA	
c1ccc(CP(c2ccccc2)c2ccccc2)cc1	2560474	UZCPNEBHTFYJNY-UHFFFAOYSA-N	276.319	4.320	50	50	CIGA	
O=C(Cl)c1ccc(C(F)(F)F)cc1C(F)(F)F	4240946	TZXHEDOCQVTEPT-UHFFFAOYSA-N	276.563	4.103	50	50	CIGA	
N#C[C@@H]1[C@H]2c3ccccc3[C@H]1[C@@H](Cl)c1ccccc12	230116299	XFVZKLUNJLTVOB-TWMKSMIVSA-N	265.743	4.349	50	50	CIGA	
ClC1=C[C@H]2C[C@@H]([C@@H]1Cl)[C@@H]1C[C@@H]3[C@@H]([C@H]21)C3(Cl)Cl	245312858	YBIOOWRLJAZNJQ-IIGDCBFQSA-N	298.040	4.422	50	50	CIGA	
Cc1ccsc1/C=N/NC(=O)c1csc(C(C)C)c1	2744196	GCPXTVIELZEWPX-VIZOYTHASA-N	292.429	4.005	50	50	CIGA	
N#C/C(=C\c1cccs1)c1nc(C2CC2)cs1	4020498	CKIPPKOUNIAYNH-UXBLZVDNSA-N	258.371	4.146	50	50	CIGA	
C/C(=C/CC[C@H](C)O)CO[Si](C)(C)C(C)(C)C	1501069165	HPTKGTBOSQNNLE-SUIFULHWSA-N	258.478	4.116	50	50	CIGA	
Cc1cc(C(=O)CCl)c(C)n1-c1ccc(Cl)cc1	2522286	OYEPFHWXRWTABW-UHFFFAOYSA-N	282.170	4.169	50	50	CIGA	
N#CC(C(=O)Nc1cccc(Cl)c1)=C1CCCCCC1	127311	FYLIWJXPPRDGON-UHFFFAOYSA-N	288.778	4.453	50	50	CIGA	
N#Cc1ccc(SSc2ccc(C#N)cc2)cc1	1670425	BCUVQZBVGSXWCG-UHFFFAOYSA-N	268.366	4.229	50	50	CIGA	in-vitro
CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)Cl	40451408	QZQPBPWAAZSNBB-UHFFFAOYSA-N	274.747	4.276	50	50	CIGA	
C[C@H](Br)c1ncc(C(F)(F)F)cc1Cl	261494816	JJIXLOBUTIKNDB-BYPYZUCNSA-N	288.494	4.210	50	50	CIGA	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	2549009	WPHAWEBWLHWWHQ-JYRVWZFOSA-N	284.702	4.312	50	50	CIGA	
N#C/C(=C\C=C\c1ccccc1)c1ccc(C#N)cc1	582271	LRUVGIQDMPPLDU-FLGOTCTISA-N	256.308	4.179	50	50	CIGA	
C=C[C@H](CCC(=C)C)[C@@H](COC(=O)CCl)C(C)C	43198909	QPAATQXUINFGAB-KGLIPLIRSA-N	272.816	4.199	50	50	CIGA	
ClCC[C@H](Br)c1ccc(Cl)cc1	136383881	JYFDEUATKCTIDE-VIFPVBQESA-N	267.981	4.405	50	50	CIGA	
Cc1ccc2[nH]c(/C(C#N)=C/c3sccc3C)nc2c1	4701015	CSTUSOMEHXUHRU-XYOKQWHBSA-N	279.368	4.305	50	50	CIGA	
CC(C)(C)c1ccc(OCCCCSC#N)cc1	2880336	LFNMAHLWPGFOQJ-UHFFFAOYSA-N	263.406	4.357	50	50	CIGA	
C/C(CC(C)C)=N\NC(=O)Nc1cccc(Cl)c1C	4829286	XOYYXEZJUICCJX-LICLKQGHSA-N	281.787	4.192	50	50	CIGA	
N#C/C(=C/c1ccc(C(=O)O)cc1)c1ccc(Cl)cc1	16319833	DXHTXKXGTDSRLY-ZROIWOOFSA-N	283.714	4.102	50	50	CIGA	
CC[P@@+]1(c2ccccc2)CCC(C)(C)c2ccccc21	100696737	DJILMBDTEKVHGI-FQEVSTJZSA-N	283.375	4.356	50	50	CIGA	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	5481357	OQRUTNDVPVVZJF-SSZFMOIBSA-N	296.414	4.199	50	50	CIGA	
N#CC(C#N)=Cc1c[nH]c2c(OCc3ccccc3)cccc12	406450	OYFVDTIXGBZMKN-UHFFFAOYSA-N	299.333	4.177	50	50	CIGA	
C=C[C@@H](CCC(=C)C)[C@@H](COC(=O)CCl)C(C)C	43198911	QPAATQXUINFGAB-KBPBESRZSA-N	272.816	4.199	50	50	CIGA	
C=C(C)P(=O)(O[C@H](C)CCl)O[C@H](C)CCl	1691060	PJGXGWAVWGEORR-RKDXNWHRSA-N	275.112	4.001	50	50	CIGA	
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1N=C=S	2536570	NGAMAYRKUNYTSQ-UHFFFAOYSA-N	295.770	4.075	50	50	CIGA	
CC[P@@+]1(c2ccccc2)CC[C@H](C)c2ccccc21	100696780	TZVLTNLNFBQIMZ-KXBFYZLASA-N	269.348	4.182	50	50	CIGA	
COc1ccc(N[C@@H]2CCC[C@@H](Cl)[C@H]2C)c(C)c1	257356371	HQYJRYHUORMGIN-UXIGCNINSA-N	267.800	4.212	50	50	CIGA	
Cc1cc(Cl)c(Cl)cc1CBr	263623045	DDWQIIXBAAQFMN-UHFFFAOYSA-N	253.954	4.197	50	50	CIGA	
O[C@@]1(c2ccccc2C(F)(F)F)CCCC[C@H]1Cl	44125619	PERZXZXQNVAZBP-VXGBXAGGSA-N	278.701	4.074	50	50	CIGA	
COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1	75429	VXRHURWDVQKETO-GXDHUFHOSA-N	269.731	4.413	50	50	CIGA	
FC(F)(F)c1cc(CBr)ccc1Cl	2382223	LZLIPLUATRVXSB-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	in-vitro
C[C@@H](Cl)OC(=O)Sc1ccc(Cl)cc1	3080902	ROCLDKMGAXQVHQ-LURJTMIESA-N	251.134	4.154	50	50	CIGA	
O=C(Nc1ccccc1Cl)[C@H](Cl)c1ccccc1	3159409	MBMMFQBNQAPHHZ-CYBMUJFWSA-N	280.154	4.259	50	50	CIGA	
Cc1ccc2c(C(=O)Cl)cc(-c3cccnc3)nc2c1C	40451307	WTLAXYQUYJMVLK-UHFFFAOYSA-N	296.757	4.293	50	50	CIGA	
ClCCN1c2ccccc2CCc2ccccc21	71772425	MHSREYQATGQGJD-UHFFFAOYSA-N	257.764	4.162	50	50	CIGA	
CCN(Cc1cccc2ccccc12)C[C@H](C)Cl	96026339	ZFIKZOZOGSYRCI-ZDUSSCGKSA-N	261.796	4.289	50	50	CIGA	
Fc1ccc(-c2ccc(CBr)cc2)cc1	85223724	BBPHEOAKLBGRSZ-UHFFFAOYSA-N	265.125	4.388	50	50	CIGA	
CC(C)c1ccc(N=C=S)c(Br)c1	164925	HEMKZBSGCAZNJG-UHFFFAOYSA-N	256.168	4.307	50	50	CIGA	
O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)c1ccccc1	16477096	RNDDHXNXUQNPBC-ZDUSSCGKSA-N	280.154	4.259	50	50	CIGA	
BrCCCCCCCCO[C@@H]1CCCCO1	2146694	JCRBYQZIJFWGOO-ZDUSSCGKSA-N	293.245	4.265	50	50	CIGA	in-vitro
O=C=NC(c1ccccc1)(c1ccccc1)c1ccccc1	4582860	ZZEZBJYXRZZMMS-UHFFFAOYSA-N	285.346	4.314	50	50	CIGA	
BrCc1ccccc1Oc1ccccc1	2379208	YQRIQBOWLXRKKG-UHFFFAOYSA-N	263.134	4.374	50	50	CIGA	
COc1ccc([C@](C#N)(CCCCl)C(C)C)cc1OC	2317305	VDQLTWSIHIWIFQ-INIZCTEOSA-N	295.810	4.140	50	50	CIGA	in-vitro
C=C(C[C@@H](O)C(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C	169834678	NTPIOZATDRVJFD-UONOGXRCSA-N	272.505	4.360	50	50	CIGA	
O=C(CCl)c1ccc(OC(F)F)c(Cl)c1Cl	263624532	RIHYOFARJDYBNO-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	16677417	PMLHWNZNYVLUQO-UVTDQMKNSA-N	296.757	4.194	50	50	CIGA	
COc1ccccc1Nc1ccc(N=C=S)cc1	19093555	VNYQEDMRGWHBSX-UHFFFAOYSA-N	256.330	4.173	50	50	CIGA	
CN(C)c1ccc2c(c1)[C@@H](Br)c1ccccc1-2	1681530	UZJWPZLDRIJVMT-HNNXBMFYSA-N	288.188	4.217	50	50	CIGA	
Cc1ccc(C)c(NC(=O)[C@@H](Cl)c2ccccc2)c1	3267875	UUODHHRXDZDTHO-HNNXBMFYSA-N	273.763	4.222	50	50	CIGA	
Clc1cccc2sc(CBr)cc12	255188485	KEBFHJZNOSZBLQ-UHFFFAOYSA-N	261.571	4.450	50	50	CIGA	
CN(C)c1ccc(/C=C(\C#N)c2cccc(Cl)c2)cc1	401147	QMQIRPOOHNVHLU-XNTDXEJSSA-N	282.774	4.470	50	50	CIGA	
FC(F)(F)c1ccc(N=C=S)c(Br)c1	2513226	UMSVAXACZNPHEM-UHFFFAOYSA-N	282.084	4.202	50	50	CIGA	
O=C(c1ccccc1)[C@H](Br)c1ccccc1	2140794	ZFFBIQMNKOJDJE-CYBMUJFWSA-N	275.145	4.006	50	50	CIGA	
O=C(c1ccccc1)c1cc(Cl)ccc1N=C=S	4342569	RKOZSWONNDQHJC-UHFFFAOYSA-N	273.744	4.305	50	50	CIGA	
CC(C)=CCC/C(C)=C/C=N/NC(=O)Nc1ccccc1	2831286	BOHNECNSJAULRT-PYEASBQRSA-N	285.391	4.487	50	50	CIGA	
N#C/C(=C\c1ccc[nH]1)c1ccc(Cl)c(Cl)c1	35823228	IJJHHDLGGYDXGD-UXBLZVDNSA-N	263.127	4.386	50	50	CIGA	
O=C(Cl)c1cc(F)c(Cl)c(Cl)c1Cl	34236942	WXAUBUZVERZUSH-UHFFFAOYSA-N	261.894	4.165	50	50	CIGA	in-vitro
ClCc1cc2ccc(Br)cc2nc1Cl	11985116	DAUUESKNGFEHEH-UHFFFAOYSA-N	290.975	4.390	50	50	CIGA	
CC1(C)Cc2ccccc2/C(=C(/C#N)c2ccccc2)N1	4696921	IVLFOVCEMYFLTE-ISLYRVAYSA-N	274.367	4.003	50	50	CIGA	
C=C[C@H](CCC(=C)C)[C@H](COC(=O)CCl)C(C)C	43198908	QPAATQXUINFGAB-ZIAGYGMSSA-N	272.816	4.199	50	50	CIGA	
O=C(SSC(=O)c1ccccc1)c1ccccc1	1555356	YYWLHHUMIIIZDH-UHFFFAOYSA-N	274.366	4.049	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCc1cc2ncc(C=O)cc2o1	169794216	JJPOLIUDVHQDPX-UHFFFAOYSA-N	291.423	4.162	50	50	CIGA	in-vitro
Fc1c(Cl)ccc(CBr)c1Cl	263624951	VMEBJUNCDLEXSC-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
COc1ccc(OC)c(/C=C(\C#N)c2ccc(Cl)cc2)c1	15684504	NVOUAJXPRGRKKD-NTEUORMPSA-N	299.757	4.421	50	50	CIGA	
C[C@H](CCl)OC(=O)Nc1c(Cl)cccc1Cl	2167852	NBZRHOTWDHLBJY-ZCFIWIBFSA-N	282.554	4.169	50	50	CIGA	
Clc1cccc(C(Br)Br)c1	1562146	GXTJYNIKOLTVNC-UHFFFAOYSA-N	284.378	4.128	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2ccccc2Br)o1	4541927	OBCJEFHJTRAZII-UHFFFAOYSA-N	299.127	4.140	50	50	CIGA	
O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1	85851007	QDBOAKPEXMMQFO-UHFFFAOYSA-N	279.122	4.112	50	50	CIGA	in-vitro
O=C(CCl)c1cc(OC(F)F)c(Cl)cc1Cl	263624529	RHUGEAXSTWKHRF-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
CCOCCCCCCCCCBr	161758177	PJCZDYKOSLNTLF-UHFFFAOYSA-N	251.208	4.149	50	50	CIGA	
CCc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1	141102	JFXILJRJKSZOKF-SFQUDFHCSA-N	290.366	4.103	50	50	CIGA	
O=C(CCl)c1c(Cl)c(Cl)nc(Cl)c1Cl	2173373	RFSJXMKBSYVFEG-UHFFFAOYSA-N	293.364	4.117	50	50	CIGA	
Cc1cccc(Cl)c1OCc1ccc(C=C(C#N)C#N)o1	2778561	SKMNPVQWGMHBGO-UHFFFAOYSA-N	298.729	4.251	50	50	CIGA	
Cc1ccc(SSc2ccc(C)cc2N)c(N)c1	91297481	WLVKUHMLYPMLJY-UHFFFAOYSA-N	276.430	4.267	50	50	CIGA	
ClCCC[S+](c1ccccc1)c1ccccc1	4329291	RRSCKNNTJGOTAD-UHFFFAOYSA-N	263.813	4.352	50	50	CIGA	
COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC	12371161	JAPMLODSGOYOHE-ZROIWOOFSA-N	299.757	4.421	50	50	CIGA	
O=C(c1ccccc1)N(Nc1ccccc1)c1ccccc1	44619	NAVYNGCXUPZVQM-UHFFFAOYSA-N	288.350	4.361	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12CC[C@@H](O)C2	169837507	VOZGCXJIOQGVEH-VNHYZAJKSA-N	270.489	4.092	50	50	CIGA	
N#C/C(=C\c1cnc(C2CCCCC2)s1)c1ccncn1	1875259980	COPBWVSUJYWXAL-MDWZMJQESA-N	296.399	4.045	50	50	CIGA	
FC(F)Oc1c(Cl)ccc(CCl)c1Cl	263625343	YYNVHSLHCSVAFO-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
N#C/C(=C/c1ccc(C#N)cc1)c1ccc(Cl)cc1	2847120	DZUGAAWYSGCPPI-DHDCSXOGSA-N	264.715	4.276	50	50	CIGA	
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCl	38410205	UWKSFZMISAANMN-UHFFFAOYSA-N	275.657	4.408	50	50	CIGA	
O=C(CCl)c1ccc(Cl)c(OC(F)F)c1Cl	263623051	DGCGGWJSHFRGJD-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
COCCn1c(C)cc(/C=C(\C#N)c2ccc(C)cc2)c1C	12363032	GLMCQXCDJSRQIV-XDHOZWIPSA-N	294.398	4.124	50	50	CIGA	
FC(F)(F)c1ccc(C(F)(F)F)c(N=C=S)c1	15444471	LIDXGQJPAJBFKJ-UHFFFAOYSA-N	271.185	4.459	50	50	CIGA	
CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O	100009089	UYCICMIUKYEYEU-VNDWYCCKSA-N	266.381	4.163	50	50	CIGA	
C#Cc1cccc(NCc2ccc(OCCCCl)cc2)c1	225515101	ZLSKIOLBZDUIEX-UHFFFAOYSA-N	299.801	4.288	50	50	CIGA	
Cc1c([C@@H](C)Br)cccc1C(F)(F)F	716368160	YZOALJQLEZVOIM-SSDOTTSWSA-N	267.088	4.470	50	50	CIGA	
N#CCc1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-]	101651211	YINMUFZCLLETTI-UHFFFAOYSA-N	288.197	4.318	50	50	CIGA	
COC(=O)CCC(C)(C)CCO[Si](C)(C)C(C)(C)C	169794280	JTBWVHJAYLVEJC-UHFFFAOYSA-N	288.504	4.378	50	50	CIGA	
Clc1ccc(CBr)c(CBr)c1	100165661	MUTSJBZAMXKKFL-UHFFFAOYSA-N	298.405	4.130	50	50	CIGA	
FC(F)Oc1c(Cl)cc(CCl)cc1Cl	263623549	IKKDZYXPJXYTLQ-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
O=C(CCl)c1cc(Cl)cc(OC(F)F)c1Cl	263624044	MYBYNEIEOOFVKH-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
Cc1cc(C)c(/C=C(/C#N)C(=O)C(C)(C)C)c(C)c1	6825426	RYGXIILOGUAJNJ-ZROIWOOFSA-N	255.361	4.134	50	50	CIGA	
CC(C)(C)C1CCC(=C(C#N)C(=O)N2CCCCC2)CC1	1459217	LAKGCRYVKCMFKN-UHFFFAOYSA-N	288.435	4.055	50	50	CIGA	
CCC(CC)=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1	375038	ULISXMOSHHNIDQ-UHFFFAOYSA-N	296.292	4.284	50	50	CIGA	
CC(=C/c1ccccc1)/C=N/NC(=O)c1ccccc1Cl	4292336	FWXSFFMQKVQAIS-MDWFKHSNSA-N	298.773	4.159	50	50	CIGA	
CSC1=C(C#N)C2(CCCCC2)C2=C(CCC2)N1	100090615	YFEFZHHGRHNSPE-UHFFFAOYSA-N	260.406	4.076	50	50	CIGA	
N#C/C(=C\Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1	144211	AIEACVIMASOVOQ-ZHACJKMWSA-N	294.745	4.193	50	50	CIGA	
O=C(NN=C1CCCCC1)c1ccc(Cl)c(Cl)c1	273721	YRIKFNSTYIMRCE-UHFFFAOYSA-N	285.174	4.043	50	50	CIGA	
Cc1cccc(C)c1N(C)C(=O)[C@H](Cl)c1ccccc1	2167168	RSOJQBKBRINVOQ-OAHLLOKOSA-N	287.790	4.246	50	50	CIGA	
C[C@@H](CCl)C(C#N)(c1ccccc1)c1ccccc1	2035268	PEHXKUSWSJTMRC-AWEZNQCLSA-N	269.775	4.371	50	50	CIGA	in-vitro
COc1cccc(-c2cc(C(=O)Cl)c3ccccc3n2)c1	6248602	JAYVAQQJRIZFKU-UHFFFAOYSA-N	297.741	4.289	50	50	CIGA	
FC(F)Oc1ccc(Cl)c(CCl)c1Cl	263624531	RIEYHZXKERPGTJ-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
O=[N+]([O-])c1ccc(Sc2ccccc2)c(CCl)c1	332485	OXKHZQUQICOEOY-UHFFFAOYSA-N	279.748	4.485	50	50	CIGA	
O=C(CCl)c1c(Cl)cc(OC(F)F)cc1Cl	263623320	GNCPQINDPXTMTF-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	53910	FOORLSCUARJPCY-LCYFTJDESA-N	284.702	4.312	50	50	CIGA	
ClCCOCn1c2ccccc2c2ccccc21	3110240	WWPJYCDBYJLJBT-UHFFFAOYSA-N	259.736	4.007	50	50	CIGA	
Cc1cccc(NC(=O)[C@@H](Cl)c2ccccc2)c1C	37009062	CQCPMTWRYFHGLB-HNNXBMFYSA-N	273.763	4.222	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(F)c1F	261494113	QEFCVLSBAHDCEH-UHFFFAOYSA-N	289.354	4.257	50	50	CIGA	
C=CCOc1cccc(/C=C(/C#N)c2cccc(C#N)c2)c1	4867360	WPSQNQZIEMNLSB-ZDLGFXPLSA-N	286.334	4.187	50	50	CIGA	
O=C(Nc1ccc(C2CC2)cc1C(F)(F)F)[C@H](F)Cl	2325898468	FBZNTSSUARESKG-JTQLQIEISA-N	295.663	4.056	50	50	CIGA	
COc1ccc(/C(C#N)=C\C=C\c2ccccc2)cc1	4531492	GQJQOXKMNJCVNQ-WIXUPIFPSA-N	261.324	4.316	50	50	CIGA	
N#C/C(=C\c1ccc2ccccc2c1)c1ccccn1	4547663	XUMHYMPANVFDHD-SFQUDFHCSA-N	256.308	4.299	50	50	CIGA	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1	4531491	OAQBXVILDLLPSB-FAIWILQLSA-N	276.295	4.215	50	50	CIGA	
Cc1cc2c(cc1C)N(C(=O)CCl)C(C)(C)C[C@H]2C	506505	PAEFRLGIAHYTTG-GFCCVEGCSA-N	279.811	4.161	50	50	CIGA	
CCCN(C(=O)[C@@H](F)Cl)[C@H](C)c1cc2ccccc2o1	2325897841	KIRZVVKFAQTVJN-QMTHXVAHSA-N	297.757	4.267	50	50	CIGA	
Cc1c(Cl)cccc1-c1ccc(C(=O)Cl)o1	2578560	LPFXQJLNECCLMJ-UHFFFAOYSA-N	255.100	4.287	50	50	CIGA	
BrCc1ccc2ccccc2c1Br	1627142	DQTOCXIHYIQHCK-UHFFFAOYSA-N	299.993	4.497	50	50	CIGA	
COc1ccc(/C=C/C=C(/C#N)c2cccc(F)c2)cc1	2879022	ACOCULYDOOSQHO-HYLYESJESA-N	279.314	4.455	50	50	CIGA	
O=C(CCl)c1cc(Cl)c(Cl)cc1OC(F)F	263624029	MULXWAMCRSIGRR-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
FC(F)Oc1cc(CCl)c(Cl)cc1Cl	263625147	XEBZNVVFHIRQTA-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
O=C(Cl)c1cccnc1Sc1ccc(Cl)cc1	2170044	NGZIPUKLQDTFOS-UHFFFAOYSA-N	284.167	4.265	50	50	CIGA	
CCCCCCCCCC(=O)N/N=C/c1ccccc1	102301123	LUKOTOAIRDLXKW-OBGWFSINSA-N	274.408	4.277	50	50	CIGA	
COc1ccc(/C(C#N)=C\c2ccc(Cl)cc2)cc1	4826498	ATCNORQEZFVCAK-UVTDQMKNSA-N	269.731	4.413	50	50	CIGA	
C/C(CC1CCCCCCCCCCC1)=N\NC(N)=O	4991642	JLWNYJDAAIDFQA-NBVRZTHBSA-N	281.444	4.342	50	50	CIGA	
CCc1cc(Br)cc(C)c1N=C=S	40571423	APZCAOAVAOAXCP-UHFFFAOYSA-N	256.168	4.054	50	50	CIGA	
Fc1c(CBr)ccc(Cl)c1Cl	263623023	CXAFUAFGQPJKGK-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
BrCc1ccc(Br)c2ccccc12	63336343	FHXASJKBBLIBAQ-UHFFFAOYSA-N	299.993	4.497	50	50	CIGA	in-vitro
C[C@@H]1CC[C@@H](C)N1C(=O)CCCC[C@@H]1CCSS1	135244117	SWCFAUYNLKVOCJ-JHJVBQTASA-N	287.494	4.100	50	50	CIGA	
Cc1csc(/C(C#N)=C/c2ccccc2Cl)n1	5059195	OYKUVTBTVBRVPE-IZZDOVSWSA-N	260.749	4.169	50	50	CIGA	
CCc1ccccc1N/C=C(\C#N)c1nc2ccccc2[nH]1	13004657	YCAYDHLHJJDTGY-WYMLVPIESA-N	288.354	4.102	50	50	CIGA	
ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl	100019951	YFIIENAGGCUHIQ-UHFFFAOYSA-N	285.212	4.334	50	50	CIGA	in-vitro
Cc1cccc(P(c2ccccc2)c2cccc(C)c2)c1	101018533	KQWVREMBQSAIGY-UHFFFAOYSA-N	290.346	4.062	50	50	CIGA	
O=C(c1ccccc1)[C@@H](Br)c1ccccc1	2140791	ZFFBIQMNKOJDJE-ZDUSSCGKSA-N	275.145	4.006	50	50	CIGA	
CCCCCOP(=O)(c1ccccc1)c1ccccc1	2963824	ZTQKRYGDWXXIMR-UHFFFAOYSA-N	288.327	4.122	50	50	CIGA	biogenic
COC(=O)[C@@H](F)CCCCCO[Si](C)(C)C(C)(C)C	169806573	FYJMNVMKZNEKFC-LBPRGKRZSA-N	292.467	4.080	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1ccc(Br)nc1	201999424	XROHQDPMQWCYAV-UHFFFAOYSA-N	288.261	4.228	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]2[C@H]2C[C@@H]12	248171975	SNDPJEZNBCPOFS-YPYWCSBCSA-N	264.485	4.299	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCCc1ccccc1C#N	1775973467	RKMAKLKWJDYGHQ-UHFFFAOYSA-N	261.441	4.123	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@H]2CC[C@H]1C(=O)C2	257355891	DIEVTFPQFBXVMR-HUBLWGQQSA-N	268.473	4.014	50	50	CIGA	
Cc1ccc2nc(C)c(CCCl)c(Cl)c2c1	336630	ZHKUDCITNUFTPI-UHFFFAOYSA-N	254.160	4.286	50	50	CIGA	
CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1	2575144	HSLFISVKRDQEBY-UHFFFAOYSA-N	260.374	4.140	50	50	CIGA	
CC[P@+]1(c2ccccc2)CCC(C)(C)c2ccccc21	100696733	DJILMBDTEKVHGI-HXUWFJFHSA-N	283.375	4.356	50	50	CIGA	
C[Si](C)(C)Oc1ccc(O[Si](C)(C)C)cc1	169899167	DVLYYIZODAWMML-UHFFFAOYSA-N	254.478	4.114	50	50	CIGA	
C[C@@H](Br)c1ccc(OC(F)(F)F)cc1	36894593	RNXABUQTPSAAJW-ZCFIWIBFSA-N	269.060	4.041	50	50	CIGA	
CCN(CCCl)C1c2ccccc2-c2ccccc21	72162129	FUHDRMQAYJUTHB-UHFFFAOYSA-N	271.791	4.317	50	50	CIGA	
Fc1ccc(C(Br)c2ccc(F)cc2)cc1	1847549	HXDAZUSPEXGQSS-UHFFFAOYSA-N	283.115	4.449	50	50	CIGA	in-vitro
O=C1c2ccccc2[C@H](C(Cl)=C(Cl)Cl)[C@H]1Cl	3080714	QEJHEAITLJQAKW-JGVFFNPUSA-N	295.980	4.459	50	50	CIGA	
CCCCCCCCCI	1686992	OGSJMFCWOUHXHN-UHFFFAOYSA-N	254.155	4.172	50	50	CIGA	in-vitro
O=C(Cl)c1cc(-c2ccccc2)nc2ccccc12	2585637	AFHGMYUEOXZDBM-UHFFFAOYSA-N	267.715	4.281	50	50	CIGA	
FC(F)(F)c1cccc(CBr)c1Cl	2382221	ZPHUUSQDKIEPDN-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	in-vitro
CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@H](CC1=O)C2(C)C	169834790	ZQHXZZPCUHMYIL-OUCADQQQSA-N	268.473	4.012	50	50	CIGA	
O=P(Cl)(Cl)OP(=O)(Cl)Cl	257354868	CNTIXUGILVWVHR-UHFFFAOYSA-N	251.757	4.174	50	50	CIGA	
FC(F)(F)c1cc(CCl)ccc1Br	89064990	MVQAOAPRDSGKGK-UHFFFAOYSA-N	273.479	4.207	50	50	CIGA	
CCOC(=O)/C(C#N)=C/c1cc(-c2ccc(C)cc2)cs1	4541776	JAYNGXRZJGOSKG-RIYZIHGNSA-N	297.379	4.194	50	50	CIGA	
CC/C(=N\NC(=O)OC(C)(C)C)c1ccc(Cl)s1	6828941	ITBFMWVEWGHXRE-RIYZIHGNSA-N	288.800	4.040	50	50	CIGA	
CC1(C)[C@H]2CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]21	169832520	PPZFETOXISQZJN-DMDPSCGWSA-N	268.473	4.012	50	50	CIGA	
Cc1ccc2nc(/C(C#N)=C/C=C/c3ccccc3)[nH]c2c1	617853	VOUIWFLBRSYUNC-ZCPHBQKFSA-N	285.350	4.492	50	50	CIGA	
COc1cccc(/C=C(\C#N)c2ccc(C(C)=O)s2)c1	1403218	FNINFSCCAFFLKK-MDWZMJQESA-N	283.352	4.023	50	50	CIGA	
O=C(CCl)c1c(OC(F)F)ccc(Cl)c1Cl	263624336	PLDXIOGVFSSDLY-UHFFFAOYSA-N	289.492	4.016	50	50	CIGA	
Clc1ccc([C@@H](Br)CBr)cc1	100190740	LBLPNCDPGCZTRP-QMMMGPOBSA-N	298.405	4.171	50	50	CIGA	in-vitro
FC(F)(F)[C@@H](Br)c1ccccc1Cl	71792066	LNUYNHQUISZQEW-ZETCQYMHSA-N	273.479	4.338	50	50	CIGA	
CCOC(=O)CCCCCCCCCBr	44082631	VWHLKJQERLYMNA-UHFFFAOYSA-N	279.218	4.065	50	50	CIGA	in-vitro
CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21	216444499	WUYXJOHLAIMJDP-QMVSFRDZSA-N	250.458	4.219	50	50	CIGA	
CCOC(=O)c1cc(-c2ccccc2)sc1N=C=S	2522256	CPFCEMRIQOSVSA-UHFFFAOYSA-N	289.381	4.326	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21	230118386	WUYXJOHLAIMJDP-HTOAHKCRSA-N	250.458	4.219	50	50	CIGA	
O=[N+]([O-])c1ccc(S[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2Cl)cc1	150254706	ZGDCSEUAGPTHBJ-RBJBARPLSA-N	283.780	4.093	50	50	CIGA	
Fc1ccc(CBr)c(Cl)c1Cl	263625287	YKSCSHDPHBEIIB-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
N#C/C(=C\c1ccccc1)c1nc2ccccc2s1	4247266	UUPWGOWJOMCZDQ-JLHYYAGUSA-N	262.337	4.360	50	50	CIGA	
CC(C)[C@H]1CC[C@@H](C)C[C@]12O[C@@H](CCl)CS2	254823890	BLLNAFYATKPPPN-YVECIDJPSA-N	262.846	4.146	50	50	CIGA	
O=C(CBr)c1ccc(Oc2ccccc2)cc1	12370494	RAXTYMXDSNWNJS-UHFFFAOYSA-N	291.144	4.057	50	50	CIGA	
FC(F)(F)c1ccc(C(F)(F)CBr)cc1	95147703	ZAEQXWHHJYBETJ-UHFFFAOYSA-N	289.041	4.192	50	50	CIGA	
Fc1cc(CBr)cc(Cl)c1Cl	263623071	DKZQRVSSZLNUJE-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
Clc1ccc(Cl)c([C@@H](Cl)Cn2ccnc2)c1	5313943	YIXRRFINKBVGAN-NSHDSACASA-N	275.566	4.170	50	50	CIGA	
COC(=O)c1sc2cc(N=C=S)ccc2c1Cl	6490475	UFJNHNZQPYPODQ-UHFFFAOYSA-N	283.761	4.076	50	50	CIGA	
CC(C)[C@H]1CC[C@](C)(O[Si](C)(C)C(C)(C)C)C1=O	169830065	CPGPCWJLQXVCLK-DOMZBBRYSA-N	270.489	4.402	50	50	CIGA	
CC(C)(C)c1ccc(C(=O)N/N=C/[C@@H]2CC=CCC2)cc1	4989633	XPDOUZZWFXOJRA-NFECSFHCSA-N	284.403	4.056	50	50	CIGA	
N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	229302	DLQRXFJDEIGQFF-NTUHNPAUSA-N	283.714	4.133	50	50	CIGA	
BrCCCCCCCCBr	1700202	DKEGCUDAFWNSSO-UHFFFAOYSA-N	272.024	4.117	50	50	CIGA	in-vitro
N#C/C(=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	12367902	CZBMGIKERDKGRJ-LCYFTJDESA-N	284.702	4.312	50	50	CIGA	
CC(C)(C)c1ccccc1OCCCBr	2826137	XFEMNDNCOYAUEZ-UHFFFAOYSA-N	271.198	4.148	50	50	CIGA	
FC(F)(F)c1cc(CBr)c2ccccc2n1	66322694	BJLFVKZZBSPRLS-UHFFFAOYSA-N	290.082	4.149	50	50	CIGA	
C=C1C[C@@]2(C)CC[C@H]1C(=O)[C@@H]2O[Si](C)(C)C(C)(C)C	169832457	SZKBWQNNUWOWOS-IVMMDQJWSA-N	280.484	4.322	50	50	CIGA	
Fc1ccc(-c2ccc(OCCCl)cc2)c(F)c1	2584138	PJXPCBDPDBKEDG-UHFFFAOYSA-N	268.690	4.249	50	50	CIGA	
O=[N+]([O-])c1ccc2c(c1)[C@@H](Br)c1ccccc1-2	1724467	MQMLOKJKGOPCKW-ZDUSSCGKSA-N	290.116	4.060	50	50	CIGA	
[C-]#[N+][C@H](c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1	100000484	GGEVCMLDVLELSH-KRWDZBQOSA-N	299.395	4.004	50	50	CIGA	in-vitro
Cn1cccc1/C=C(/C#N)c1nc(-c2cccs2)cs1	3864948	IXKFWJNFTKCSQK-FLIBITNWSA-N	297.408	4.274	50	50	CIGA	
ClCCc1cc2ccc(Cl)cc2nc1Cl	11985640	UCRSISKIOWPLSD-UHFFFAOYSA-N	260.551	4.323	50	50	CIGA	
O=C(Cl)c1cccc(OCc2ccc(Cl)cc2)c1	40451543	HXDGGMGPOWDCHX-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
CC(C)c1cccc(C(C)C)c1NC(=O)CCl	3246531	SQSUDYRMZQRNEX-UHFFFAOYSA-N	253.773	4.111	50	50	CIGA	
C[C@@H]1O[C@@]2(CCCC2=O)CC[C@H]1O[Si](C)(C)C(C)(C)C	169833959	SMNVONMLWDCTPK-ZENOOKHLSA-N	298.499	4.068	50	50	CIGA	
Fc1cc(Cl)c(CBr)cc1Cl	263624210	OJVPHAGDVFREOA-UHFFFAOYSA-N	257.917	4.027	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H]2C[C@@H]2[C@H]2C[C@@H]12	248177784	WUYXJOHLAIMJDP-ITGHMWBKSA-N	250.458	4.219	50	50	CIGA	
Fc1ccc(-n2c(CCl)csc2=S)c(F)c1F	3131336	PFJFLLXZAOSLTJ-UHFFFAOYSA-N	295.738	4.424	50	50	CIGA	
O=C(Nc1cccc(Cl)c1)[C@@H](Cl)c1ccccc1	5901562	XPEDFKOZRMEQGM-ZDUSSCGKSA-N	280.154	4.259	50	50	CIGA	
Cc1cc(CBr)c(Cl)cc1Cl	263624311	PFKQJQFLMAHFFV-UHFFFAOYSA-N	253.954	4.197	50	50	CIGA	
FC(F)(F)Oc1cc(Br)ccc1N=C=S	164847	VXHDHMUZXWITDG-UHFFFAOYSA-N	298.083	4.082	50	50	CIGA	
O=C(CCl)Nc1ccc(Sc2ccc(F)cc2)cc1	3110936	DWYKZZHFZODZGT-UHFFFAOYSA-N	295.766	4.154	50	50	CIGA	
O=C(Cl)c1ccc(OCc2ccccc2Cl)cc1	40451436	KZUWGBQDZRAHKH-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
CC(C)(CCl)C(=O)Nc1ccc(Cl)cc1Cl	3104469	URLVXZQIYFAKAQ-UHFFFAOYSA-N	280.582	4.197	50	50	CIGA	
FC(F)Oc1cc(Cl)c(CCl)cc1Cl	263624753	TXQVNMCHNSHCAI-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1ccc(O)c(Cl)c1	261493620	GAYAQXRSYSQZSO-UHFFFAOYSA-N	258.821	4.430	50	50	CIGA	
O=[N+]([O-])c1ccc(Sc2ccc(N=C=S)cc2)cc1	2528161	XQXCSNLNVVAJRO-UHFFFAOYSA-N	288.353	4.480	50	50	CIGA	in-vitro
ClCCCNc1c2c(nc3ccccc13)CCCC2	4995662	OYLFPGJHECCVFH-UHFFFAOYSA-N	274.795	4.154	50	50	CIGA	
C/C(=C/CC[C@@H](C)O)CO[Si](C)(C)C(C)(C)C	1501069164	HPTKGTBOSQNNLE-KIWPFMIBSA-N	258.478	4.116	50	50	CIGA	
CCN(CCCl)Cc1ccc(Cl)cc1Cl	71058615	BNGNWNJAVWRODP-UHFFFAOYSA-N	266.599	4.054	50	50	CIGA	
C[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1	100696602	NRHXWHDYBFXACD-UHFFFAOYSA-N	291.354	4.485	50	50	CIGA	
Cc1cc(C)c([PH](=O)c2c(C)cc(C)cc2C)c(C)c1	114061276	ONFFYMOUWHPIBW-UHFFFAOYSA-N	286.355	4.048	50	50	CIGA	
O=C(Nc1cccc(Cl)c1)[C@H](Cl)c1ccccc1	5901893	XPEDFKOZRMEQGM-CYBMUJFWSA-N	280.154	4.259	50	50	CIGA	
Cc1ccc(C)c(NC(=O)[C@H](Cl)c2ccccc2)c1	3267873	UUODHHRXDZDTHO-OAHLLOKOSA-N	273.763	4.222	50	50	CIGA	
CC(=C/c1ccccc1)/C=N/NC(=O)c1cccc(Cl)c1	43761010	NBLULMXGPMFYDU-TZLNKHHCSA-N	298.773	4.159	50	50	CIGA	
FC(F)(F)c1cc(N=C=S)cc(C(F)(F)F)c1	164749	FXOSSGVJGGNASE-UHFFFAOYSA-N	271.185	4.459	50	50	CIGA	in-vitro
Clc1ccc2scc(CBr)c2c1	162017	FKQSFVITUNJLCY-UHFFFAOYSA-N	261.571	4.450	50	50	CIGA	in-vitro
C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(C=O)s1	170019076	RSSNFOKOPVUOMH-SECBINFHSA-N	271.458	4.038	50	50	CIGA	
CC(C)(C)[Si](C)(C)OCCc1ccc(O)cc1F	261493669	GUWZQAUTHFFBCQ-UHFFFAOYSA-N	270.420	4.096	50	50	CIGA	
Cc1nc(-c2ccccc2)sc1CBr	159073	JIYKQPNREFZLCN-UHFFFAOYSA-N	268.179	4.013	50	50	CIGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCCCC1	511115	RGLVQTTVYUOFEG-RQZCQDPDSA-N	299.201	4.024	50	50	CIGA	
FC(F)(F)[C@@H](Br)c1ccc(Cl)cc1	58143571	ITNDUQJYMQWYAI-ZETCQYMHSA-N	273.479	4.338	50	50	CIGA	
N#CCc1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-]	101651205	PXHIIPXQJANHFL-UHFFFAOYSA-N	288.197	4.318	50	50	CIGA	
CC(C)(C)c1ccc(C(=O)N/N=C/[C@H]2CC=CCC2)cc1	4989632	XPDOUZZWFXOJRA-ITRAFESCSA-N	284.403	4.056	50	50	CIGA	
Cc1ccc(F)c(NC(=O)[C@@H](Cl)c2ccccc2)c1	2750843	ASLJQQDSCGHKDF-AWEZNQCLSA-N	277.726	4.053	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@H]1C(=O)C2	257355892	DIEVTFPQFBXVMR-SLEUVZQESA-N	268.473	4.014	50	50	CIGA	
Cc1ccc(NC(=O)[C@H](Cl)c2ccccc2)c(C)c1	37009055	MEYUVFBRTDPBRA-OAHLLOKOSA-N	273.763	4.222	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCC2=CC(=O)C[C@]21C	169838072	QEUTYVFYLQQPMY-DZGCQCFKSA-N	266.457	4.076	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1CC1(Cl)Cl	169829444	OMYKVMBNJKSOGU-QMMMGPOBSA-N	255.261	4.202	50	50	CIGA	
N#CC(C(=O)Nc1cccc(C(F)(F)F)c1)=C1CCCC1	6828865	OXJRSESDYCXHKS-UHFFFAOYSA-N	294.276	4.038	50	50	CIGA	
FC(F)(F)c1cccc(Cl)c1CBr	71790038	FSQANOAIVKWIEU-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	
CCO[Si](CCCCCC(C)C)(OCC)OCC	169976006	HXOGQBSDPSMHJK-UHFFFAOYSA-N	276.493	4.251	50	50	CIGA	
CC(C)[C@@]12C[C@@H]1C(C)(C)[C@]1(O[Si](C)(C)C)C[C@H]21	169836605	ZFJCBBPOZGVUCD-UXOAXIEHSA-N	252.474	4.299	50	50	CIGA	
CC(C)(C)C(CCBr)CCBr	101093208	PVAPSWVCWOOMNG-UHFFFAOYSA-N	286.051	4.219	50	50	CIGA	
COc1ccc(N[C@@H]2CCC[C@H](Cl)[C@H]2C)c(C)c1	257356370	HQYJRYHUORMGIN-OSAQELSMSA-N	267.800	4.212	50	50	CIGA	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)c1cccnc1	13818325	TYXIVBJQPBWBHO-UUILKARUSA-N	275.138	4.453	50	50	CIGA	in-vitro
CC1(C)CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C	253533906	VTOKHDNDXNAPBN-LBPRGKRZSA-N	256.462	4.156	50	50	CIGA	
CC1=C(C#N)[C@H](C2CCCCC2)C2=C(CC(C)(C)CC2=O)N1	408682	FRFNSTLQGZFSFK-KRWDZBQOSA-N	298.430	4.227	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC1CC(CBr)C1	606303176	LWKQKLVVDFSUIX-UHFFFAOYSA-N	279.294	4.182	50	50	CIGA	
O=P(Cl)(Oc1ccccc1)Oc1ccccc1	78413790	BHIIGRBMZRSDRI-UHFFFAOYSA-N	268.636	4.491	50	50	CIGA	
CCCN(C(=O)[C@H](F)Cl)[C@H](C)c1cc2ccccc2o1	2325897842	KIRZVVKFAQTVJN-YGRLFVJLSA-N	297.757	4.267	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@]1(C)C[C@H]2C(=O)C[C@H]3CC[C@@H]1[C@H]32	169833810	BJHPNJLQEWZETQ-OOKGIHQLSA-N	294.511	4.402	50	50	CIGA	
C[C@@H](Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl	3281070	UWAQSZNPRHXKKT-SCSAIBSYSA-N	286.973	4.213	50	50	CIGA	
O=C(Cl)c1ccccc1OCc1ccccc1Cl	40451446	ORNVNSOZZFOQRL-UHFFFAOYSA-N	281.138	4.298	50	50	CIGA	
BrCc1ccccc1OCc1ccccc1	1436035	YMLAVJJQEPGJAP-UHFFFAOYSA-N	277.161	4.161	50	50	CIGA	in-vitro
CC[P@+]1(c2ccccc2)CC[C@H](C)c2ccccc21	100696776	TZVLTNLNFBQIMZ-HNAYVOBHSA-N	269.348	4.182	50	50	CIGA	
CCCCCC1CCC([C@@H]2CC=C(B(O)O)CC2)CC1	169934336	NSKYCIWGCMDXSO-UYSNPLJNSA-N	278.245	4.112	50	50	CIGA	
Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](F)Cl	2325897787	IXKBQRHWBKOAJP-GFCCVEGCSA-N	289.803	4.110	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C(=O)C2	169831458	OKNUVSLYMOPCHS-APHBMKBZSA-N	282.500	4.404	50	50	CIGA	
Br[C@H]1CC2c3ccccc3C1c1ccccc12	1668615	XHTDDOKTKFIKEQ-PCKAHOCUSA-N	285.184	4.431	50	50	CIGA	
Clc1ccc(Cl)c([C@H](Cl)Cn2ccnc2)c1	5313937	YIXRRFINKBVGAN-LLVKDONJSA-N	275.566	4.170	50	50	CIGA	
CCN(CCCl)C(c1ccccc1)c1ccccc1	95832208	IPUGOMKPFNNWCS-UHFFFAOYSA-N	273.807	4.337	50	50	CIGA	
N#CSCCCCCOc1cccc(Cl)c1	2880313	CRMOIXBJUAYCFG-UHFFFAOYSA-N	255.770	4.103	50	50	CIGA	
CCCCCCCCCCCC[C@H]1CC(=O)OC1=O	95876210	YAXXOCZAXKLLCV-AWEZNQCLSA-N	268.397	4.387	50	50	CIGA	in-vitro
N#C/C(=C(/O)c1cccc(F)c1)c1nc2ccccc2s1	100534448	FZHYPTZVJHBULK-QINSGFPZSA-N	296.326	4.385	50	50	CIGA	
CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	43947391	GELSOTNVVKOYAW-UHFFFAOYSA-N	291.354	4.000	50	50	CIGA	in-vitro
Cc1cccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1	5028017	VARVHBWCQZOWBM-GDNBJRDFSA-N	273.339	4.244	50	50	CIGA	
O=C(Nc1cc(Cl)ccc1O)c1ccccc1CCl	152695	RJLDFNIDYBRLQN-UHFFFAOYSA-N	296.153	4.037	50	50	CIGA	
O=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CCCCC1	4530244	ZDWIXPHSMDOVDF-UHFFFAOYSA-N	288.435	4.029	50	50	CIGA	
Cc1cc(C(F)(F)F)cc(CBr)c1F	575727552	QARMMECXFNZZNT-UHFFFAOYSA-N	271.051	4.048	50	50	CIGA	
O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2140804	WAKMMQSMEDJRRI-UHFFFAOYSA-N	276.563	4.103	50	50	CIGA	in-vitro
FC(F)Oc1cc(Cl)c(CCl)c(Cl)c1	263624291	PAHURIIVLPHUTO-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
CC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@H]1O	169832227	CIJDBEYINGOUQM-NWANDNLSSA-N	284.516	4.362	50	50	CIGA	
N#CSCCCCCCOc1ccccc1Cl	2880389	XIBNXLBYLUPSIG-UHFFFAOYSA-N	269.797	4.493	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cccc(F)c1[N+](=O)[O-]	261493517	CQTLQQMYAJDNMM-UHFFFAOYSA-N	271.364	4.118	50	50	CIGA	
C[C@H](Br)c1cccc(C(F)(F)F)c1	55345627	AJBWDFPJLDDEPQ-LURJTMIESA-N	253.061	4.161	50	50	CIGA	in-vitro
CC(C)[C@H]1CC[C@@H](C)C[C@]12O[C@H](CCl)CS2	254823889	BLLNAFYATKPPPN-FDYHWXHSSA-N	262.846	4.146	50	50	CIGA	
O=C(O)CCCCCCCCCCCBr	1637721	YYKBWYBUCFHYPR-UHFFFAOYSA-N	279.218	4.367	50	50	CIGA	biogenic,in-vivo
CCCCC[C@@H](C)C(=O)OC(=O)[C@H](C)CCCCC	100290411	RWNXHDBPCPMSIB-ZIAGYGMSSA-N	270.413	4.489	50	50	CIGA	
Fc1cc(CBr)ccc1OCc1ccccc1	66054697	YCHITSDJFZQYMX-UHFFFAOYSA-N	295.151	4.300	50	50	CIGA	
COc1c(Cl)cc(Cl)c(CBr)c1F	725239942	KKODQNPVBNZJED-UHFFFAOYSA-N	287.943	4.036	50	50	CIGA	
CC[C@H](C)Sc1ccc(NC(=O)[C@H](F)Cl)c(C)c1	2325898413	BDHCCLHSIIAXJC-CABZTGNLSA-N	289.803	4.359	50	50	CIGA	
CC[C@H](C)Sc1ccc(NC(=O)[C@@H](F)Cl)c(C)c1	2325898414	BDHCCLHSIIAXJC-JOYOIKCWSA-N	289.803	4.359	50	50	CIGA	
FC(F)(F)c1cc(Cl)cc(CBr)c1	2527772	DWXPOGQMJSSFCZ-UHFFFAOYSA-N	273.479	4.254	50	50	CIGA	
N#C/C(=C\c1ccc(F)cc1)c1nc2ccccc2s1	4291772	FOZUSBHYTRVVMA-FMIVXFBMSA-N	280.327	4.500	50	50	CIGA	
CCOC(=O)CCCCCCCCCCBr	1668636	RGWOAXNKJWTDFA-UHFFFAOYSA-N	293.245	4.455	50	50	CIGA	in-vitro
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1	277922	BWJBHUUBGJLMMX-SFHVURJKSA-N	298.345	4.058	50	50	CIGA	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1	58547	JPZDEUZACTYRAF-SFHVURJKSA-N	298.345	4.058	50	50	CIGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CC1(Cl)Cl	169829446	OMYKVMBNJKSOGU-MRVPVSSYSA-N	255.261	4.202	50	50	CIGA	
C[C@H](Cl)C(=O)N1c2ccccc2Sc2ccccc21	163600	NFDHJLPQTVVBOU-JTQLQIEISA-N	289.787	4.443	50	50	CIGA	
O=C(O)c1cc(F)cc(S(F)(F)(F)(F)F)c1	97949964	WQRFQFPUMUJGOL-UHFFFAOYSA-N	266.162	4.181	50	50	CIGA	
FC(F)(CBr)c1ccc(Cl)cc1Cl	1534067582	RQLIXENBUXVZGE-UHFFFAOYSA-N	289.934	4.480	50	50	CIGA	
CCO[Si](C[C@@H](C)CC(C)(C)C)(OCC)OCC	169806496	UWZSHGZRSZICIW-ZDUSSCGKSA-N	276.493	4.107	50	50	CIGA	
Cc1ccc(N)c(SSc2cc(C)ccc2N)c1	18194542	RAQHRJVDSRBFNH-UHFFFAOYSA-N	276.430	4.267	50	50	CIGA	
Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Cl)c2c1	40451305	JNTRWWNGTLZHSC-UHFFFAOYSA-N	296.757	4.293	50	50	CIGA	
CC(C)(c1ccccc1)c1ccc(OCC(=O)Cl)cc1	26470286	BSDHAJCIHFXUIR-UHFFFAOYSA-N	288.774	4.157	50	50	CIGA	
FC(F)(F)Oc1ccc(Br)cc1CCl	95496017	CBJUTDFJHJUDSM-UHFFFAOYSA-N	289.478	4.087	50	50	CIGA	in-vitro
C=CCN1/C(=C/C=C/C=C(C#N)C#N)C=Cc2ccccc21	685944289	BGYZGWWTCSKHFK-OBQYLLBLSA-N	285.350	4.119	50	50	CIGA	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)cs1	6510290	SLPHAYPMWJGPLB-XBXARRHUSA-N	298.205	4.033	50	50	CIGA	
N#CSc1cccc(C(F)(F)F)c1Br	221288650	XPRDEYTYUMRBPF-UHFFFAOYSA-N	282.084	4.041	50	50	CIGA	
ClCc1cc2cc(Br)ccc2nc1Cl	11985119	ICFHBEBSACQCJB-UHFFFAOYSA-N	290.975	4.390	50	50	CIGA	
CC[P@+]1(c2ccccc2)CC[C@@H](C)c2ccccc21	100696786	TZVLTNLNFBQIMZ-DNVCBOLYSA-N	269.348	4.182	50	50	CIGA	
FC(F)Oc1cc(Cl)c(Cl)c(CCl)c1	263623575	IQJYVKDQHIUOPX-UHFFFAOYSA-N	261.482	4.334	50	50	CIGA	
COc1ccc(Nc2ccc(N=C=S)cc2)cc1	19093553	RTIKESPGXBFRGY-UHFFFAOYSA-N	256.330	4.173	50	50	CIGA	
Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)o1	6279000	LHFBENHCOAVYAR-UHFFFAOYSA-N	271.703	4.182	50	50	CIGA	
CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(Cl)cc1	3573699	FGJAKFNQQLQEQK-MDWFKHSNSA-N	298.773	4.159	50	50	CIGA	
COc1ccc(/C(C#N)=C\c2cccc(Cl)c2)cc1	4546436	CQJMTOOEWQBWPO-ZROIWOOFSA-N	269.731	4.413	50	50	CIGA	
C/C(=C\CCO)CCCO[Si](C)(C)C(C)(C)C	169832099	ULZQGBYTRUVBDL-UKTHLTGXSA-N	258.478	4.117	50	50	CIGA	
O=C(Cl)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2510724	TVVPYLZQEFOTGP-UHFFFAOYSA-N	290.590	4.032	50	50	CIGA	
Cc1oc(-c2ccc(OC(F)(F)F)cc2)cc1N=C=O	255187398	DGRZSFIYNJHMOK-UHFFFAOYSA-N	283.205	4.121	50	50	CIGA	
C[C@@H](CCl)OC(=O)Nc1c(Cl)cccc1Cl	2167850	NBZRHOTWDHLBJY-LURJTMIESA-N	282.554	4.169	50	50	CIGA	
COC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1C	1857777591	NJZCELPGGBPFEL-UHFFFAOYSA-N	280.440	4.166	50	50	CIGA	
O=C(Cl)CCCCCCCCCCC(=O)Cl	85659445	CNXXEPWXNDFGIG-UHFFFAOYSA-N	267.196	4.418	50	50	CIGA	in-vitro
N#C/C(=C\C=C\c1ccccc1)c1nc2ccccc2[nH]1	6209317	MPJYLKYBQGTGAZ-UJHPFZFGSA-N	271.323	4.183	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]2[C@H]2C[C@H]21	248171972	SNDPJEZNBCPOFS-LJJRGKOZSA-N	264.485	4.299	50	50	CIGA	
CCC(CC)[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21	253470709	AJLSDXUGIVUGED-QGZVFWFLSA-N	292.382	4.446	50	50	CIGA	
BrCCCCCCOCc1ccccc1	2392142	UHDZRWPKYMHVNV-UHFFFAOYSA-N	271.198	4.159	50	50	CIGA	in-vitro
CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1	196901373	LCRGCKGCZUAUDG-UHFFFAOYSA-N	254.377	4.022	50	50	CIGA	
BrCCOC(c1ccccc1)c1ccccc1	1673546	HYARBELXZXURQQ-UHFFFAOYSA-N	291.188	4.188	50	50	CIGA	
C[Si](C)(C)OC=C(O[Si](C)(C)C)O[Si](C)(C)C	169743110	FCZGHPGTZRTDNN-UHFFFAOYSA-N	292.600	4.340	50	50	CIGA	
Cc1cccc2cc(-c3ccccc3)c(/C=C/C=O)n12	2028954	FORDTXVNEPOENH-IZZDOVSWSA-N	261.324	4.127	50	50	CIGA	
O=C1c2ccccc2[C@@H](C(Cl)=C(Cl)Cl)[C@H]1Cl	3080712	QEJHEAITLJQAKW-HTQZYQBOSA-N	295.980	4.459	50	50	CIGA	
CCc1ccc2nc(-c3cccnc3)cc(C(=O)Cl)c2c1	40457190	PKBKOHDPZGMEJY-UHFFFAOYSA-N	296.757	4.238	50	50	CIGA	
O=C(Cl)N1c2ccccc2CCc2ccccc21	336099	COHHZMJBMIHLGF-UHFFFAOYSA-N	257.720	4.282	50	50	CIGA	in-vitro
N#C/C(=C\c1ccc(O)cc1)c1nc2ccccc2s1	12652561	PPQCPESDMTYAOT-FMIVXFBMSA-N	278.336	4.066	50	50	CIGA	
Cc1ccc(F)c(NC(=O)[C@H](Cl)c2ccccc2)c1	2750842	ASLJQQDSCGHKDF-CQSZACIVSA-N	277.726	4.053	50	50	CIGA	
CN(C)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1	336533	JYSGNKFGNNTQNO-RVDMUPIBSA-N	282.774	4.470	50	50	CIGA	
Cc1nc2c(F)cccc2c(Cl)c1CCCl	336632	KXULKDXMGYRLLV-UHFFFAOYSA-N	258.123	4.117	50	50	CIGA	
CCCCCCCCCC[C@@H](Br)C(=O)O	1847860	HXKXBCBZXXQPPD-LLVKDONJSA-N	279.218	4.365	50	50	CIGA	
C=C[C@@H](CCC(=C)C)[C@H](COC(=O)CCl)C(C)C	43198910	QPAATQXUINFGAB-UONOGXRCSA-N	272.816	4.199	50	50	CIGA	
CC1=CC[C@@]23CCCCCCCCC[C@]2(C1)C(=O)OC3=O	101047888	OSIHQJSVRPTYTA-MSOLQXFVSA-N	290.403	4.307	50	50	CIGA	
COc1ccc(N[C@@H]2CCC[C@H](Cl)[C@@H]2C)c(C)c1	43199350	HQYJRYHUORMGIN-CORIIIEPSA-N	267.800	4.212	50	50	CIGA	
FC(F)(F)CCSSCCC(F)(F)F	114125679	DWNJNIHVBVWOMF-UHFFFAOYSA-N	258.252	4.273	50	50	CIGA	
FC(F)(F)Oc1cccc(Br)c1CCl	95496016	XKDXZKYLWFHYFX-UHFFFAOYSA-N	289.478	4.087	50	50	CIGA	
CCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1	169991930	VFEJEBVELPDVHI-UHFFFAOYSA-N	286.488	4.130	50	50	CIGA	
COc1ccc(/C=C(/C#N)c2ccc(C)cc2)cc1OC	14131003	YHMJEUFPFLEKOX-YBEGLDIGSA-N	279.339	4.076	50	50	CIGA	
N#CC(C#N)=Cc1ccc(-c2cccc(Cl)c2)o1	101222	PJVKECLACFHVHP-UHFFFAOYSA-N	254.676	4.031	50	50	CIGA	
CC(C)[C@@]12C[C@@H]1C(C)(C)[C@@]1(O[Si](C)(C)C)C[C@@H]21	257359246	ZFJCBBPOZGVUCD-PAPYEOQZSA-N	252.474	4.299	50	50	CIGA	
CC1=CC[C@]23CCCCCCCCC[C@]2(C1)C(=O)OC3=O	101047885	OSIHQJSVRPTYTA-ROUUACIJSA-N	290.403	4.307	50	50	CIGA	
N#Cc1ccccc1-c1ccc(CBr)cc1	1420574	LFFIEVAMVPCZNA-UHFFFAOYSA-N	272.145	4.120	50	50	CIGA	in-vitro
C[C@H]1CC[C@@H](C)N1C(=O)CCCC[C@@H]1CCSS1	135244076	SWCFAUYNLKVOCJ-FRRDWIJNSA-N	287.494	4.100	50	50	CIGA	
N#C/C(=C\c1ccc(O)c(Cl)c1)c1ccccc1	450204	DYKYFTOJVMCPIH-MDWZMJQESA-N	255.704	4.110	50	50	CIGA	
ClC1=C[C@H]2C[C@@H]([C@H]1Cl)[C@@H]1C[C@@H]3[C@H]([C@@H]21)C3(Cl)Cl	252695312	YBIOOWRLJAZNJQ-QPFFPSQFSA-N	298.040	4.422	50	50	CIGA	
N#C/C(=C\c1cccs1)c1nc2ccccc2s1	4291979	PEKXLUSHRAEUAI-CSKARUKUSA-N	268.366	4.422	50	50	CIGA	
CCCCCCCC[C@H](Br)C(=O)OCC	1589691	IOOXHTJCOQWOJW-NSHDSACASA-N	279.218	4.064	50	50	CIGA	
FC(F)(F)c1ccc(N=C=S)c(C(F)(F)F)c1	2513228	XLGDIBPVRZAYLD-UHFFFAOYSA-N	271.185	4.459	50	50	CIGA	
Cc1ccc2c(C(=O)Cl)cc(-c3ccncc3)nc2c1C	40451300	MCFBMUOBVSIKDG-UHFFFAOYSA-N	296.757	4.293	50	50	CIGA	
Cc1c([C@H](C)Br)cccc1C(F)(F)F	716368169	YZOALJQLEZVOIM-ZETCQYMHSA-N	267.088	4.470	50	50	CIGA	
CCc1ccc2nc(-c3ccncc3)cc(C(=O)Cl)c2c1	40457189	JYAXUDJDKPEAQE-UHFFFAOYSA-N	296.757	4.238	50	50	CIGA	
CC(C)(C)[Si](C)(C)Oc1cc(F)c(O)c(F)c1	261493634	GFUWGGBYTYXUSC-UHFFFAOYSA-N	260.356	4.054	50	50	CIGA	
CCN(CCCl)Cc1csc2cc(C)ccc12	330047	OFZWBFFAAJAEDM-UHFFFAOYSA-N	267.825	4.270	50	50	CIGA	
COc1ccc(Sc2ccccc2C(=O)Cl)cc1	2024159	PEEMACOLSMXEPW-UHFFFAOYSA-N	278.760	4.225	50	50	CIGA	
OC/C=C/CCCCCCCCCBr	3070142	NYXIGXGYLVONRQ-CSKARUKUSA-N	263.219	4.051	50	50	CIGA	
O=C1CCCCCCCCCC[C@H]1Br	4578639	YGXQOFXPYXFZFY-LLVKDONJSA-N	261.203	4.234	50	50	CIGA	in-vitro
C[C@@H]1O[C@]2(CCCC2=O)CC[C@H]1O[Si](C)(C)C(C)(C)C	169833957	SMNVONMLWDCTPK-WOSRLPQWSA-N	298.499	4.068	50	50	CIGA	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)c1cccnc1	5183	TYXIVBJQPBWBHO-QCDXTXTGSA-N	275.138	4.453	50	50	CIGA	
Fc1cc(Br)cc(C(Cl)Cl)c1	100034791	HEKPKYAZKHKWPY-UHFFFAOYSA-N	257.917	4.064	50	50	CIGA	in-vitro
C=CC[P+](C(=C)C)(c1ccccc1)c1ccccc1	100819906	WDRSKGZGTFHXKX-UHFFFAOYSA-N	267.332	4.375	50	50	CIGA	
CC(=O)Nc1ccc(/C=C(/C#N)c2ccc(C)cc2)cc1	4582636	JCUOFOOLBKWBKD-BOPFTXTBSA-N	276.339	4.018	50	50	CIGA	
BrCCCNc1cccc2ccccc12	96027879	WGZKDIUSFWFSMG-UHFFFAOYSA-N	264.166	4.037	50	50	CIGA	
CCCCCCCCCC[C@@H](Br)C(=O)OC	100074517	FKUJACXGZVGADB-GFCCVEGCSA-N	293.245	4.454	50	50	CIGA	
N#C/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2169138	XZINYAZSRZTYPY-OWOJBTEDSA-N	265.156	4.261	50	50	CIGA	
CCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1	2756025	QNBIZGNNIHZVIX-SFQUDFHCSA-N	280.799	4.151	50	50	CIGA	
O=C(Cl)c1cc(Cl)ccc1OCc1cccc(F)c1	40451565	UWLBDQQFCLTQCS-UHFFFAOYSA-N	299.128	4.437	50	50	CIGA	
CC1(C)[C@H]2C[C@H]1[C@]1(O[Si](C)(C)C)[C@@H](C2)[C@]1(C)Cl	216453251	MMXUETNRVWJWHM-WTNWGCMGSA-N	272.892	4.270	50	50	CIGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CC=C[C@]12CCCCC2=O	169831970	DHCSVGICXQCXMF-ZBFHGGJFSA-N	280.484	4.466	50	50	CIGA	
FC(F)(F)Oc1ccc(Br)c(N=C=S)c1	1848351077	UVFPORQVZLNTIC-UHFFFAOYSA-N	298.083	4.082	50	50	CIGA