smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#CSCCCCOc1ccc(Cl)c2ccccc12	5776894	SVCRDQAMPJUKOZ-UHFFFAOYSA-N	291.803	4.866	50	50	CJGA	
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CCl	3128023	BQYJDDLBAJDRAB-GUUKOKDOSA-N	268.787	4.769	50	50	CJGA	
C=C[C@](C)(CCC=C(C)C)[C@@H](O)[C@@H](C)O[Si](C)(C)C	169834116	PASHADBPNZHTKO-OWCLPIDISA-N	284.516	4.526	50	50	CJGA	
CCCCCCCCCCCCCNC(=O)CCl	101013961	VSSSQUXPFVKJTP-UHFFFAOYSA-N	275.864	4.652	50	50	CJGA	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3Cl)nc2c1	6645854	UWIMJMZZEGWLPE-UKTHLTGXSA-N	293.757	4.589	50	50	CJGA	
CC(C)(C)N(CCCl)Cc1csc2ccc(F)cc12	332290	APWSTYNPBIBUOX-UHFFFAOYSA-N	299.842	4.880	50	50	CJGA	
Cc1ccc(/C(C#N)=C\c2cccc(Br)c2)cc1	4546398	YTMBVWACAUANON-DHDCSXOGSA-N	298.183	4.822	50	50	CJGA	
Cc1cccc(-c2cc(C(=O)Cl)c3cccc(C)c3n2)c1	6317479	VNGOTNMGFDPXKR-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
CC(C)(C)[Si](C)(C)OCCCCCCN=[N+]=[N-]	725384575	HUTNMDKPWZLZBY-UHFFFAOYSA-N	257.454	4.879	50	50	CJGA	
O=C1C[C@@H]2CCCCCCC[C@]3(C2)[C@@H](Cl)[C@H](Cl)[C@@H]13	101141381	GVRWFFZPQYBVMB-INMIOYRUSA-N	289.246	4.541	50	50	CJGA	
C[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1/C=C(\C#N)c1cccc(Cl)c1	254840153	FJXDKTYLHAMRTI-UBBVMYQYSA-N	269.775	4.705	50	50	CJGA	
Cl[C@H]1c2ccccc2[C@H]2c3ccccc3[C@H]1[C@@H]2Cl	104002560	UMSPATZKRSJLKZ-LVQVYYBASA-N	275.178	4.817	50	50	CJGA	
O=C/C(=C\c1ccccc1)Sc1ccc(Cl)cc1	5733238	SELDECTZQWVRBQ-XNTDXEJSSA-N	274.772	4.672	50	50	CJGA	
ClCCNc1ccc(/N=N/c2ccccc2)cc1	18089164	OCRATRLZPRXKNK-ISLYRVAYSA-N	259.740	4.753	50	50	CJGA	
C=C1C[C@H]2[C@@H](C[C@H]1O[Si](C)(C)C(C)(C)C)C2(C)C	169832518	OOCWQNZLUHDQBO-BFHYXJOUSA-N	266.501	4.999	50	50	CJGA	
ClCc1ccc2c(c1)CCc1cc(CCl)ccc1-2	106867399	FDVROWHPPDYJIK-UHFFFAOYSA-N	277.194	4.930	50	50	CJGA	
Cl[C@H](c1ccccc1)[C@H](Cl)c1ccccc1	1671538	FJEFRYPSCFFXEX-ZIAGYGMSSA-N	251.156	4.947	50	50	CJGA	
Clc1ccc([C@@H](CBr)c2ccccc2)cc1	95081729	FRKAZTNDYFKKMW-AWEZNQCLSA-N	295.607	4.867	50	50	CJGA	in-vitro
CCc1ccc2nc(-c3ccccc3)cc(C(=O)Cl)c2c1	40457193	YJZLWHNXIYHWMZ-UHFFFAOYSA-N	295.769	4.843	50	50	CJGA	
Cc1onc(-c2c(Cl)cccc2Cl)c1CCl	166800	PPUGTWAPVDDBEW-UHFFFAOYSA-N	276.550	4.696	50	50	CJGA	
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CCl	3128021	BQYJDDLBAJDRAB-RRMSZZPISA-N	268.787	4.769	50	50	CJGA	
CCCCCCCCCCI	2038948	SKIDNYUZJPMKFC-UHFFFAOYSA-N	268.182	4.562	50	50	CJGA	in-vitro
CC(C)(C)[Si](C)(C)O[C@@H]1CCOc2ccccc21	196652437	YTVNAPSTIULIIC-CQSZACIVSA-N	264.441	4.532	50	50	CJGA	in-vitro
C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C(\C#N)c1cccc(Cl)c1	104126932	FJXDKTYLHAMRTI-SYPZCTAFSA-N	269.775	4.705	50	50	CJGA	
COc1ccccc1/C=C/C=C(/C#N)c1ccc(C)cc1	25757858	KXOWYTNLCKUWKI-FJJFEQPVSA-N	275.351	4.624	50	50	CJGA	
C=C[C@](C)(CCC=C(C)C)[C@H](O)[C@H](C)O[Si](C)(C)C	169834119	PASHADBPNZHTKO-ARFHVFGLSA-N	284.516	4.526	50	50	CJGA	
C=C(Br)CCCO[Si](C)(C)C(C)(C)C	169835247	PLMOXLATFRDJTN-UHFFFAOYSA-N	279.294	4.697	50	50	CJGA	
Cc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1	53912	ATIJGBKTWPTUHN-GDNBJRDFSA-N	253.732	4.713	50	50	CJGA	
O=C(Cl)c1sc2cccc(Cl)c2c1Cl	5945421	FABCCQHAVXFNMK-UHFFFAOYSA-N	265.548	4.587	50	50	CJGA	
[C-]#[N+]/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	64696532	MKUVGSJPVXTADZ-JYRVWZFOSA-N	282.387	4.771	50	50	CJGA	in-vitro
COc1ccccc1SSc1ccccc1OC	5734424	USHOSLIEBCEAIY-UHFFFAOYSA-N	278.398	4.503	50	50	CJGA	
O=C(CBr)c1cc2ccccc2c2ccccc12	1561628	ANKLVWPFCLGBJX-UHFFFAOYSA-N	299.167	4.571	50	50	CJGA	
Cc1ccc(/C(C#N)=C\C=C\c2ccccc2[N+](=O)[O-])cc1	25758337	UPYKHGUZZKOQBB-JTKCLTRGSA-N	290.322	4.524	50	50	CJGA	
CN(C)c1ccc(/C=C/C=C(/C#N)c2cccc(F)c2)cc1	2875771	MAGMPWTWOZZHJW-CZMAMTTRSA-N	292.357	4.512	50	50	CJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3ccc(C)c(C)c3n2)o1	40457211	LYMZIIWAWCYCMF-UHFFFAOYSA-N	299.757	4.799	50	50	CJGA	
CCCCN(CCCC)c1ccc(SC#N)cc1	1587756	JHUYUCCFYIPFIS-UHFFFAOYSA-N	262.422	4.666	50	50	CJGA	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccccc1	468060	IOEKVZZJRRMLOZ-XNTDXEJSSA-N	283.758	4.803	50	50	CJGA	
O=C1C[C@@H]2CCCCCCC[C@]3(C2)[C@H](Cl)[C@H](Cl)[C@@H]13	101141384	GVRWFFZPQYBVMB-URWOTSEESA-N	289.246	4.541	50	50	CJGA	
COc1ccc(SSc2ccc(OC)cc2)cc1	156700	PZQGLCGLPMWYBT-UHFFFAOYSA-N	278.398	4.503	50	50	CJGA	in-vitro
C/C(=C/CCBr)CO[Si](C)(C)C(C)(C)C	196496615	HVTFXKDYNKRKQW-FLIBITNWSA-N	293.321	4.740	50	50	CJGA	
N#CCCCCCCCCCCCBr	39398411	REWUNQPQBYXSQB-UHFFFAOYSA-N	260.219	4.806	50	50	CJGA	in-vitro
C=CC[C@H]1C(=O)CCCC[C@@H]1O[Si](C)(C)C(C)(C)C	169836428	WKKSYESCDMHUOC-ZFWWWQNUSA-N	282.500	4.712	50	50	CJGA	
C[C@@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@H]2O[Si](C)(C)C(C)(C)C	257355897	DJNXIYYHRPMMJY-XDQVBPFNSA-N	296.527	4.648	50	50	CJGA	
N#C/C(=C\c1ccco1)Sc1nc2ccccc2s1	1050425	UOZULYVTECBXNM-DHZHZOJOSA-N	284.365	4.546	50	50	CJGA	
BrCCCCCCCCc1ccccc1	2572550	XGBMCFCZEKCCDJ-UHFFFAOYSA-N	269.226	4.965	50	50	CJGA	in-vitro
N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc2ccccc2c1	4857501	KZLMIKQDOGKRSX-NVMNQCDNSA-N	299.329	4.633	50	50	CJGA	
CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)CC1	169833259	QYTXXDOJXLXPCX-GOEBONIOSA-N	296.527	4.816	50	50	CJGA	
C/C(=C/CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO	1501069168	KHJYKPMIZISDCZ-MKRLJBPISA-N	286.532	4.753	50	50	CJGA	
CCCCCCCC(=O)OC(=O)CCCCCCC	86022575	RAFYDKXYXRZODZ-UHFFFAOYSA-N	270.413	4.777	50	50	CJGA	in-vitro
CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(Cl)c1	202752069	ITJSVABIMVPBDO-UHFFFAOYSA-N	287.819	4.632	50	50	CJGA	
COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1C	16319712	RPNIDUFTMCKJHA-GDNBJRDFSA-N	283.758	4.721	50	50	CJGA	
C=C1C[C@@H]2[C@H](C[C@H]1O[Si](C)(C)C(C)(C)C)C2(C)C	169838086	OOCWQNZLUHDQBO-HZSPNIEDSA-N	266.501	4.999	50	50	CJGA	
Fc1ccc(Oc2cccc(CBr)c2)cc1	2527970	JGFSTQUUDSBQCO-UHFFFAOYSA-N	281.124	4.513	50	50	CJGA	
COc1ccccc1/C(C#N)=C\c1cccc2ccccc12	4546982	NCHDIXJDNKZKBW-LGMDPLHJSA-N	285.346	4.913	50	50	CJGA	
Nc1cc(Br)cc(S(F)(F)(F)(F)F)c1	97950028	HCROKBUNMALNHZ-UHFFFAOYSA-N	298.074	4.689	50	50	CJGA	
C=C(CO[Si](C)(C)C(C)(C)C)C[Si](C)(C)C	169830312	HBOWLPFJUGYOAC-UHFFFAOYSA-N	258.554	4.903	50	50	CJGA	
CCCCOP(=O)(OCCCC)/C(C#N)=C(\O)CC	103127366	IIOXAUBAOFRCAV-SEYXRHQNSA-N	289.312	4.516	50	50	CJGA	
O=C(Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1	2578570	BSRRSYCAENNRPG-UHFFFAOYSA-N	275.518	4.632	50	50	CJGA	
N#C/C(=C\c1cccs1)c1nc(-c2ccccc2)cs1	3995656	JNGCYEDRDDSFEQ-UKTHLTGXSA-N	294.404	4.936	50	50	CJGA	
COc1ccc2ccccc2c1/C=C(\C#N)c1ccccc1	4007028	NZRMNVVPUINCDO-GHRIWEEISA-N	285.346	4.913	50	50	CJGA	
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(CCl)c1	8729967	JDAFIFMYRSXODN-UHFFFAOYSA-N	298.125	4.779	50	50	CJGA	
C=C(C[C@H](O)C(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C	169834654	OKKOIVKTQWCHCM-GJZGRUSLSA-N	286.532	4.608	50	50	CJGA	
C=CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1	2846640	RRUJYPFTPQXGPH-VBKFSLOCSA-N	295.769	4.969	50	50	CJGA	
Cc1c(CCl)c(C)c(CCl)c(C)c1CCl	347719	PHQFMPNZCIHSPC-UHFFFAOYSA-N	265.611	4.828	50	50	CJGA	in-vitro
FC(F)c1cc(-c2cccc(CBr)c2)ccn1	725273463	FATYWRBHRJRRSK-UHFFFAOYSA-N	298.130	4.581	50	50	CJGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)CC[C@@]21C	169837008	XPZPQHJACBRMEE-RDJZCZTQSA-N	294.511	4.856	50	50	CJGA	
BrCc1c2ccccc2cc2ccccc12	2038322	KOWKPLCVFRHICH-UHFFFAOYSA-N	271.157	4.888	50	50	CJGA	
O=C1CCCCCCCCCCC=C[C@@H]1Br	309157415	TVRFYSKCLJDHDD-ZDUSSCGKSA-N	287.241	4.790	50	50	CJGA	
Cl[C@@H](c1ccccc1)[C@H](Cl)c1ccccc1	100064481	FJEFRYPSCFFXEX-OKILXGFUSA-N	251.156	4.947	50	50	CJGA	
O=C(Cl)c1ccccc1-c1ccc(C(F)(F)F)cc1	113749962	VFDVBQMLLPCXNP-UHFFFAOYSA-N	284.664	4.751	50	50	CJGA	
Cc1cccc(COc2ccc(Cl)cc2C(=O)Cl)c1	40451555	RJKNHAPSZKILKJ-UHFFFAOYSA-N	295.165	4.606	50	50	CJGA	
CN(C)c1ccc(/N=N/c2ccc(N=C=S)cc2)cc1	4244747	OSWZKAVBSQAVFI-ISLYRVAYSA-N	282.372	4.902	50	50	CJGA	in-vitro
Clc1ccc([C@H](CBr)c2ccccc2)cc1	95081728	FRKAZTNDYFKKMW-CQSZACIVSA-N	295.607	4.867	50	50	CJGA	in-vitro
CC(C)COc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1	12382343	MWTYDJAGBJWWMH-YVLHZVERSA-N	295.357	4.925	50	50	CJGA	
CC(C)C1=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)CC1=O	169830043	NREYAWUXYJWRNP-MRXNPFEDSA-N	282.500	4.570	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1Cl	201137396	CYJKPTWMWUFMTD-UHFFFAOYSA-N	288.822	4.676	50	50	CJGA	
Cc1ccc2c(C(=O)Cl)cc(-c3ccccc3)nc2c1C	40457180	GREBLKMRSGYHQQ-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
Cc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1	20357366	ATIJGBKTWPTUHN-XNTDXEJSSA-N	253.732	4.713	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1ccc(F)c(Cl)c1	261493884	LHQBVFNTKXLHOE-UHFFFAOYSA-N	260.812	4.863	50	50	CJGA	
O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl	22001912	IROWIXYGGPOJFJ-UHFFFAOYSA-N	278.349	4.679	50	50	CJGA	
C[C@@H](OC(=O)Cl)C1c2ccccc2-c2ccccc21	389585	SFRVOKMRHPQYGE-SNVBAGLBSA-N	272.731	4.563	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1ccc(Br)cc1	169743422	DLGZGLKSNRKLSM-UHFFFAOYSA-N	287.273	4.833	50	50	CJGA	in-vitro
CC(C)N(C(C)C)P(Cl)N(C(C)C)C(C)C	95719218	FEHUTHGOLLQBNW-UHFFFAOYSA-N	266.797	4.690	50	50	CJGA	
N#CC(C#N)=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	101244	UBVIGURNVLJNCD-UHFFFAOYSA-N	289.121	4.684	50	50	CJGA	
Cc1ccc(C)c(OCCCCCCBr)c1	44125404	BOJBKBIKTBIXID-UHFFFAOYSA-N	285.225	4.638	50	50	CJGA	
CC/C(=C(/C#N)c1ccccc1)c1ccc(OC)cc1	71772388	IBDVPBKNQSJCRQ-ISLYRVAYSA-N	263.340	4.540	50	50	CJGA	
O=C(Cl)c1ccc(S(F)(F)(F)(F)F)cc1	95676523	NNFDYUZNKYWPGP-UHFFFAOYSA-N	266.618	4.723	50	50	CJGA	
Cc1cc(C)cc(/C=C(\C#N)c2cc(C)cc(C)c2)c1	2023086	OEXWJFMJXMJEBW-YBFXNURJSA-N	261.368	4.984	50	50	CJGA	
N#C/C(=C\c1ccc(F)cc1)c1ccc(Cl)cc1	16159225	PXJDWVFBYVYGRZ-UKTHLTGXSA-N	257.695	4.543	50	50	CJGA	
C[C@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@H]2O[Si](C)(C)C(C)(C)C	257355898	DJNXIYYHRPMMJY-ZOBORPQBSA-N	296.527	4.648	50	50	CJGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCOc2ccccc21	196652448	YTVNAPSTIULIIC-AWEZNQCLSA-N	264.441	4.532	50	50	CJGA	in-vitro
Cc1ccc(C)c(-c2cc(C(=O)Cl)c3ccccc3n2)c1	6272436	PLRPMBXWWFXNFY-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
CCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1	59826801	LFSNEDFIYMJULD-QGOAFFKASA-N	294.826	4.541	50	50	CJGA	
N#C/C(=C/c1ccc(F)cc1)c1ccc(Cl)cc1	2548302	PXJDWVFBYVYGRZ-LCYFTJDESA-N	257.695	4.543	50	50	CJGA	
O=C/C(=C\c1ccc(Cl)cc1Cl)c1ccccc1	335653	IWFDDTWICOWYBK-MDWZMJQESA-N	277.150	4.733	50	50	CJGA	
CC(C)CN(CCCl)Cc1cccc2ccccc12	96026340	KGOARJXNEJPYME-UHFFFAOYSA-N	275.823	4.537	50	50	CJGA	
C/C(=C\CCBr)CO[Si](C)(C)C(C)(C)C	169837775	HVTFXKDYNKRKQW-DHZHZOJOSA-N	293.321	4.740	50	50	CJGA	
CCCCOC(=S)SSC(=S)OCCCC	1680789	QCAZHHXMIVSLMW-UHFFFAOYSA-N	298.520	4.571	50	50	CJGA	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)Cl)c2c1	6279256	KOWQZYNTYVSLJX-UHFFFAOYSA-N	281.742	4.589	50	50	CJGA	
C[C@@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C	169832567	DJNXIYYHRPMMJY-XUXIUFHCSA-N	296.527	4.648	50	50	CJGA	
CCC(C)(C)[C@H]1CCc2c(C(=O)Cl)csc2C1	40451420	AUCOGUFDHGLBFW-VIFPVBQESA-N	270.825	4.668	50	50	CJGA	
Cl[C@@H]1c2ccccc2[C@H]2c3ccccc3[C@H]1[C@H]2Cl	101020688	UMSPATZKRSJLKZ-FPCVCCKLSA-N	275.178	4.817	50	50	CJGA	
ClC[C@H]1CC2c3ccccc3C1c1ccccc12	1726635	UVWKXZMZFLZPQS-LBWKMTJJSA-N	254.760	4.523	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1cccc(F)c1Cl	261494495	YYQDXLZJEJMTIN-UHFFFAOYSA-N	260.812	4.863	50	50	CJGA	
Cc1c(CBr)cccc1-c1ccccc1	137174895	UTCWKKQFHHVEPP-UHFFFAOYSA-N	261.162	4.557	50	50	CJGA	
Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1Cl	3276889	WHCFRBNKSHSYEP-AWEZNQCLSA-N	294.181	4.567	50	50	CJGA	
Cc1cccc(-c2cc(C(=O)Cl)c3ccccc3n2)c1	6317491	KFJMMUKVLNOTDN-UHFFFAOYSA-N	281.742	4.589	50	50	CJGA	
CC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)C1=O	169832230	COTFAOQAVMCITM-GXTWGEPZSA-N	282.500	4.570	50	50	CJGA	
C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@H](CCl)O1)C(C)(C)CCC2	239274951	AZJNNJNKFBVVJR-DSRCVFDASA-N	298.854	4.520	50	50	CJGA	
F[C@H](Cl)C(F)(F)Sc1ccc(Cl)cc1	1655681	VQSRHBSKMJDEFM-ZETCQYMHSA-N	261.095	4.559	50	50	CJGA	
CS[C]1SS[C@H]2[C@@H]1c1ccccc1NC2(C)C	409415908	UQBGIVFHNRXDGW-QWRGUYRKSA-N	282.479	4.590	50	50	CJGA	
CCCCCCCCCCCC(=O)OCCCl	100021741	PPRUSMUBWUQYRY-UHFFFAOYSA-N	262.821	4.689	50	50	CJGA	in-vitro
BrCC=C1c2ccccc2C=Cc2ccccc21	3132225	MQSMPOHUPFYBKF-UHFFFAOYSA-N	297.195	4.997	50	50	CJGA	
CCCN(CCCl)C(c1ccccc1)c1ccccc1	33640686	CCSLWTDUWGZUJJ-UHFFFAOYSA-N	287.834	4.727	50	50	CJGA	
FC(F)(F)c1cccc2cc(CBr)sc12	255189923	SZVOBHAIRKRIOK-UHFFFAOYSA-N	295.123	4.815	50	50	CJGA	
C=C(C[C@@H](O)C(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C	169834651	OKKOIVKTQWCHCM-LSDHHAIUSA-N	286.532	4.608	50	50	CJGA	
CC(C)(C)c1cc(N=C=S)cc(C(C)(C)C)c1O	3096659	OUBVUBJIVPTRLO-UHFFFAOYSA-N	263.406	4.722	50	50	CJGA	
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CCl	3128024	BQYJDDLBAJDRAB-BASVNZDBSA-N	268.787	4.769	50	50	CJGA	
C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C	169743429	VMZOBROUFBEGAR-UHFFFAOYSA-N	298.544	4.768	50	50	CJGA	
Cl[C@@H]1[C@@H]2c3ccccc3[C@@H]1c1ccccc1[C@@H]2Cl	101020689	UMSPATZKRSJLKZ-WCVJEAGWSA-N	275.178	4.817	50	50	CJGA	
Cc1csc(/C(C#N)=C/c2ccc(-c3ccccc3)o2)n1	4539909	NARDRLRXCVPKRW-NTEUORMPSA-N	292.363	4.776	50	50	CJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)cc1C	6278400	LZRISFCHGXWGFP-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
COc1ccc(Cl)cc1/C=C(/C#N)c1cccc(F)c1	12393093	ZLDPCONWWXCZQG-QPEQYQDCSA-N	287.721	4.552	50	50	CJGA	
FC(F)(F)c1ccc(Oc2cccc(CCl)c2)nc1	115025824	HKECJZLWUZMCIC-UHFFFAOYSA-N	287.668	4.632	50	50	CJGA	in-vitro
O=P(CCl)(Oc1ccccc1)Oc1ccccc1	1603570	WGCJUPJNMGWDAU-UHFFFAOYSA-N	282.663	4.534	50	50	CJGA	biogenic
ClC(Cl)=C(Cl)[C@@H](Cl)c1ccccc1	3075485	CTQVNCOGRRAYTP-ZETCQYMHSA-N	255.959	4.852	50	50	CJGA	
CCCCCCCCc1ccc(C(=O)Cl)cc1	2168580	NEKGDYGTJYCIRI-UHFFFAOYSA-N	252.785	4.969	50	50	CJGA	biogenic
C[Si](C)(C)CCSCc1cccc(C(=O)Cl)c1	725245300	GPYFUVMYDQPOSZ-UHFFFAOYSA-N	286.900	4.637	50	50	CJGA	
Fc1ccc(C(c2ccc(F)cc2)C(Cl)Cl)cc1	1691708	DTWVWSKVQMPTOU-UHFFFAOYSA-N	287.136	4.900	50	50	CJGA	
Br[C@H](CCc1ccccc1)c1ccccc1	3132925	KXXKAPVCOQGZGB-OAHLLOKOSA-N	275.189	4.755	50	50	CJGA	
CCCCCCCCCC(=O)NN=C1CCC(C)CC1	100647736	MSCXNBMAKYFQDL-UHFFFAOYSA-N	280.456	4.809	50	50	CJGA	
FC(F)(F)c1ccc(-c2ccc(CCl)cc2)nc1	12370486	JTXHHQDYEHXWPC-UHFFFAOYSA-N	271.669	4.506	50	50	CJGA	
BrCCC(c1ccccc1)c1ccccc1	1698823	SLHSRCBFPHCSGL-UHFFFAOYSA-N	275.189	4.604	50	50	CJGA	in-vitro
C[C@H](c1ccccc1)[C@@H](Br)c1ccccc1	3136998	UHMUZEBOXCHNND-IUODEOHRSA-N	275.189	4.926	50	50	CJGA	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Cl)s3)nc2c1	4739795	ZNVZFSKFVNZLRQ-YFHOEESVSA-N	299.786	4.650	50	50	CJGA	
BrCCCCCOc1cccc2ccccc12	22780345	OMUZFQCMWADMPN-UHFFFAOYSA-N	293.204	4.784	50	50	CJGA	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccco3)n2)cc1	3995797	XXHLDDFDFMZVNP-NTEUORMPSA-N	292.363	4.776	50	50	CJGA	
CCCCCCCCCCCC(=O)N/N=C/c1ccco1	8385070	YNEWYFBJSALXAO-OBGWFSINSA-N	292.423	4.651	50	50	CJGA	
CCCCCCCCC/C(C)=N\NC(=O)c1ccccc1	100293979	AILZELMZWPREIL-MNDPQUGUSA-N	288.435	4.933	50	50	CJGA	
O=[P@](Cl)(Nc1ccccc1)Oc1ccccc1	85534257	ZUQYQPGYEFBITH-KRWDZBQOSA-N	267.652	4.524	50	50	CJGA	
CC(=O)c1ccc(/C(C#N)=C/c2ccc(Cl)cc2)s1	3049560	PROOMWZKOOEVDW-XYOKQWHBSA-N	287.771	4.668	50	50	CJGA	
Cc1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1Cl	3276888	WHCFRBNKSHSYEP-CQSZACIVSA-N	294.181	4.567	50	50	CJGA	
Cc1ccc(C(=O)C[C@H](Cl)c2ccc(C)cc2)cc1	3107125	XDXQAJLFANDRBI-INIZCTEOSA-N	272.775	4.856	50	50	CJGA	
FC(F)(F)c1ccc2sc(CBr)cc2c1	255189869	SQKCWFRSPZFRCR-UHFFFAOYSA-N	295.123	4.815	50	50	CJGA	
Cc1ccc([C@H](Cl)CC(=O)c2ccccc2)cc1	3107495	CUXVNDXUFSRXJT-OAHLLOKOSA-N	258.748	4.548	50	50	CJGA	
ClC(Cl)=C(Cl)[C@H](Cl)c1ccccc1	3075486	CTQVNCOGRRAYTP-SSDOTTSWSA-N	255.959	4.852	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1c(Cl)ccc(O)c1F	261493419	AQHPBCYPEZAJMN-UHFFFAOYSA-N	276.811	4.569	50	50	CJGA	
BrCCCCCCCCCBr	1691302	WGAXVZXBFBHLMC-UHFFFAOYSA-N	286.051	4.507	50	50	CJGA	
ClC[C@@H]1COC2(CCCCCCCCCCC2)O1	3141308	RHBAQLRMUDIJFL-CQSZACIVSA-N	274.832	4.642	50	50	CJGA	
Cc1c(Cl)cccc1NC(=O)[C@@H](Cl)c1ccccc1	37009048	FDPHXNADXOXIHU-AWEZNQCLSA-N	294.181	4.567	50	50	CJGA	
CCc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)cc1	6124356	PDJXZRUCYWAIPC-UHFFFAOYSA-N	295.769	4.843	50	50	CJGA	
Cc1cccc(C)c1OCCCCCCBr	2826139	IUODCAHNFOBKER-UHFFFAOYSA-N	285.225	4.638	50	50	CJGA	
Cc1cc(C)cc(OCCCCCCBr)c1	44125396	GGRYUQBRMWJBBH-UHFFFAOYSA-N	285.225	4.638	50	50	CJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)c(C)c1	6271793	AAVDSJVYHWBKPN-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
CC(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	3946921	TWIHSZAKIQLGOH-LFIBNONCSA-N	287.366	4.750	50	50	CJGA	
COc1ccccc1/C=C/C=C(/C#N)c1ccc(Cl)cc1	401057	IWODSXBMKPIEMS-ZGCWVLQWSA-N	295.769	4.969	50	50	CJGA	
CCCCCCCC(=O)N/N=C/c1cccc2ccccc12	2739916	IRXKACNWKCDHAW-HMMYKYKNSA-N	296.414	4.650	50	50	CJGA	
CC(C)(C)[C@H]1CCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1	169834950	IUYKFOPAMIQLLO-JSGCOSHPSA-N	284.516	4.792	50	50	CJGA	
O=C(CCCCl)c1ccc(Oc2ccccc2)cc1	2162164	FSZSCUJOLVNTIZ-UHFFFAOYSA-N	274.747	4.681	50	50	CJGA	
CC[C@H](C)N(CCCl)Cc1cccc2ccccc12	95742243	ISUKAYWNTCSYJV-AWEZNQCLSA-N	275.823	4.679	50	50	CJGA	
N#C/C(=C\c1ccco1)c1nc(-c2ccc(F)cc2)cs1	3997967	FKPQIBDANYVCJR-XYOKQWHBSA-N	296.326	4.606	50	50	CJGA	
Cc1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1	1646855	AVZZJPNRUVUVEE-UHFFFAOYSA-N	277.370	4.703	50	50	CJGA	
C=C(C)CN(CCCl)C(c1ccccc1)c1ccccc1	96026344	WKDAQOSDLBJQOL-UHFFFAOYSA-N	299.845	4.893	50	50	CJGA	
Cc1ccc(COc2ccc(Cl)cc2C(=O)Cl)cc1	40451550	VBFOIZFKLYQZBJ-UHFFFAOYSA-N	295.165	4.606	50	50	CJGA	
COc1ccc(/C=C/C=C(/C#N)c2ccc(Cl)cc2)cc1	2848297	FETJJWJRLDRGDW-CYTILCLQSA-N	295.769	4.969	50	50	CJGA	
Fc1ccc(N(CCCCl)c2cccc(F)c2)cc1	44125962	VIFGSELWORGUDU-UHFFFAOYSA-N	281.733	4.732	50	50	CJGA	
C=C1C[C@H]2[C@H](C[C@H]1O[Si](C)(C)C(C)(C)C)C2(C)C	169838083	OOCWQNZLUHDQBO-MELADBBJSA-N	266.501	4.999	50	50	CJGA	
N#C/C(=C/C=C/c1ccccc1)c1ccc(Cl)cc1	401053	DBLSUIBRQAEFNX-QSJINSDNSA-N	265.743	4.960	50	50	CJGA	
CC(C)(C)[Si](C)(C)OCCCCCCBr	169746859	PBKXRKYUUXKNSL-UHFFFAOYSA-N	295.337	4.964	50	50	CJGA	
COc1ccc(Cl)cc1/C=C(/C#N)c1ccc(F)cc1	12364111	QHUCEUFADJWDRL-JYRVWZFOSA-N	287.721	4.552	50	50	CJGA	
BrC[C@@H]1CC2c3ccccc3C1c1ccccc12	71786957	GOMXVNXPGIXWJB-OSSATUEASA-N	299.211	4.679	50	50	CJGA	
BrCCCCCCCc1ccccc1	2577022	ASLQYSAHLPRDAY-UHFFFAOYSA-N	255.199	4.575	50	50	CJGA	in-vitro
O=C(Cl)CCCCCCCCCCBr	5178580	QWHOIFRYXGBPRO-UHFFFAOYSA-N	283.637	4.658	50	50	CJGA	
C=C(C)[C@@H]1C=C[C@](C)(CO[Si](C)(C)C(C)(C)C)C(=O)C1	169829232	NPNZSSKILDLFBN-RHSMWYFYSA-N	294.511	4.736	50	50	CJGA	
CCCCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O	100014751	URVNZJUYUMEJFZ-VUSFMPOISA-N	294.435	4.943	50	50	CJGA	
COc1ccc(/C(C#N)=C\c2cccc3ccccc23)cc1	4546983	QQYKNNGTGNKHAF-AQTBWJFISA-N	285.346	4.913	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1ccccc1Br	195896121	AUAZNDJHTMXNSN-UHFFFAOYSA-N	287.273	4.833	50	50	CJGA	
CC(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C	169836714	LVXQPRHHZRAZHY-UHFFFAOYSA-N	258.478	4.548	50	50	CJGA	
Br[C@@H](CCc1ccccc1)c1ccccc1	3132924	KXXKAPVCOQGZGB-HNNXBMFYSA-N	275.189	4.755	50	50	CJGA	
O=C1C[C@@H]2CCCCCCC[C@]3(C2)[C@H](Cl)[C@@H](Cl)[C@@H]13	101141385	GVRWFFZPQYBVMB-XFZHLKPQSA-N	289.246	4.541	50	50	CJGA	
CCCOc1ccc(-c2cc(CCl)c(C)o2)cc1	32917000	JXVAPXYKOHTYQU-UHFFFAOYSA-N	264.752	4.783	50	50	CJGA	
Cc1ccsc1/C=C(\C#N)c1nc2ccccc2s1	4498286	VHEKHPGATFTCIT-DHZHZOJOSA-N	282.393	4.730	50	50	CJGA	
BrCCCCCCCOCc1ccccc1	204329443	BZMIZZYCYWAKIC-UHFFFAOYSA-N	285.225	4.549	50	50	CJGA	
Cc1ccc([C@@H](Cl)CC(=O)c2ccccc2)cc1	3107496	CUXVNDXUFSRXJT-HNNXBMFYSA-N	258.748	4.548	50	50	CJGA	
CC(C)(C)[Si](C)(C)OCCCC(=O)c1ccccc1	196066436	BNWSUULROVPLEH-UHFFFAOYSA-N	278.468	4.671	50	50	CJGA	
CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C=CC(=O)CC1	169833266	QYTXXDOJXLXPCX-ZBFHGGJFSA-N	296.527	4.816	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1cc(Cl)ccc1F	261494212	RZADWSBWXFIDOC-UHFFFAOYSA-N	260.812	4.863	50	50	CJGA	
C=CC[C@@H]1C(=O)CCCC[C@H]1O[Si](C)(C)C(C)(C)C	169836430	WKKSYESCDMHUOC-UKRRQHHQSA-N	282.500	4.712	50	50	CJGA	
Cl[C@@H](c1ccccc1)[C@@H](Cl)c1ccccc1	1671539	FJEFRYPSCFFXEX-KBPBESRZSA-N	251.156	4.947	50	50	CJGA	
S=C=Nc1ccc(SCc2ccccc2)cc1	2532486	FBSLMFIPUZMNNE-UHFFFAOYSA-N	257.383	4.713	50	50	CJGA	
FC(F)(F)c1cccc2sc(CBr)cc12	1848350330	QJUHRABXPIEJEG-UHFFFAOYSA-N	295.123	4.815	50	50	CJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)s1	6279109	KYQCZMFNTYBWOP-UHFFFAOYSA-N	287.771	4.651	50	50	CJGA	
C=CCCCCCCCCC(=O)N/N=C/c1cccs1	1738066	FEOINXAXEVHASU-SAPNQHFASA-N	292.448	4.505	50	50	CJGA	
N#C/C(=C/C=C/c1ccco1)c1nc2ccccc2s1	15836275	JCJHWSKPVYAGOB-OITAKYAHSA-N	278.336	4.510	50	50	CJGA	
Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)Cl	255190489	XNOUKQXVRMAPCJ-UHFFFAOYSA-N	288.652	4.653	50	50	CJGA	
O=C(Cl)N1c2ccccc2C=Cc2ccccc21	404102	APJYHXJGXDPGBA-UHFFFAOYSA-N	255.704	4.667	50	50	CJGA	in-vitro
Cc1c(Cl)cccc1NC(=O)[C@H](Cl)c1ccccc1	37009047	FDPHXNADXOXIHU-CQSZACIVSA-N	294.181	4.567	50	50	CJGA	
OCCCCCCCCCCCCCBr	1902008	FJBCXJNCEVECEC-UHFFFAOYSA-N	279.262	4.665	50	50	CJGA	in-vitro
C(=C/P(c1ccccc1)c1ccccc1)\c1ccccc1	1765081	UMFWLUTUYFDZNQ-WUKNDPDISA-N	288.330	4.790	50	50	CJGA	
SCCCCCCCCCCCBr	44018894	IKVISLWYYHGTTN-UHFFFAOYSA-N	267.276	4.822	50	50	CJGA	
O=C(CCCCCl)c1ccc2c(c1)Cc1ccccc1-2	3157014	SASPVLIQSCIJNQ-UHFFFAOYSA-N	284.786	4.850	50	50	CJGA	
Clc1cccc(Cl)c1OCCCCBr	36824626	YDRGVNPWMCASBA-UHFFFAOYSA-N	298.007	4.547	50	50	CJGA	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccc(Cl)c3)nc2c1	5028016	DHWWCXWWYQCWQF-JYRVWZFOSA-N	293.757	4.589	50	50	CJGA	
N#C/C(=C/c1cccc(Cl)c1)c1ccc(F)cc1	401127	YGTSRLLKIHYZKU-JYRVWZFOSA-N	257.695	4.543	50	50	CJGA	
F[C@@H](Cl)C(F)(F)Sc1ccc(Cl)cc1	2162115	VQSRHBSKMJDEFM-SSDOTTSWSA-N	261.095	4.559	50	50	CJGA	
CC(C)(C)c1cc(SC#N)cc(C(C)(C)C)c1O	22011608	DTXYORKWCOQPMN-UHFFFAOYSA-N	263.406	4.560	50	50	CJGA	
Cc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)o1	16348012	XGVPDRPWDYYCHQ-WDZFZDKYSA-N	278.138	4.959	50	50	CJGA	
Cc1cccc(-c2cc(C(=O)Cl)c3cc(C)ccc3n2)c1	6317466	OMGIMOLAGWKVOC-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
Cc1cccc2c(C(=O)Cl)cc(-c3ccccc3)nc12	6318422	PZOVHYYZLYRAPB-UHFFFAOYSA-N	281.742	4.589	50	50	CJGA	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc(C#N)cc1	16383006	VKXQGIYKMLIQEF-AUWJEWJLSA-N	299.160	4.929	50	50	CJGA	
CC(C)(C)[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1	169834952	YHGKPDHSRMYASZ-JSGCOSHPSA-N	284.516	4.792	50	50	CJGA	
CC(C)(C)c1ccc(OCCCCCBr)cc1	3130421	YIYDSZRQIKKMQH-UHFFFAOYSA-N	299.252	4.928	50	50	CJGA	
CC(C)[Si](OCc1cc(C=O)ccn1)(C(C)C)C(C)C	1857778614	AQZIFVCTJXKNSN-UHFFFAOYSA-N	293.483	4.586	50	50	CJGA	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1	5023728	VPFAXIJGKGUBIS-GXDHUFHOSA-N	276.364	4.669	50	50	CJGA	
Oc1ccc(S(F)(F)(F)(F)F)cc1Br	100488003	YPWCCOJAIASGTG-UHFFFAOYSA-N	299.058	4.812	50	50	CJGA	in-vitro
Cc1ccccc1N/C=C(/C#N)c1ccc(Cl)cc1	1743622	IMGXPUBJQLTQJM-KAMYIIQDSA-N	268.747	4.625	50	50	CJGA	
Cc1ccccc1/C=C(\C#N)c1nc2ccccc2s1	4071147	STCQZXOJIPLAJW-GXDHUFHOSA-N	276.364	4.669	50	50	CJGA	
ClCc1ccc(-c2ccc(CCl)cc2)cc1	1699468	INZDTEICWPZYJM-UHFFFAOYSA-N	251.156	4.831	50	50	CJGA	in-vitro
N#C/C(=C\c1cccc2ccccc12)c1ccc(C#N)cc1	2879598	MLCACUHBLYPROO-XDHOZWIPSA-N	280.330	4.776	50	50	CJGA	
N#C/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1	16159227	FANCAXJLECLTIF-UKTHLTGXSA-N	257.695	4.543	50	50	CJGA	
C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=O	38259026	YHCIKUXPWFLCFN-QHUUTLAPSA-N	296.410	4.838	50	50	CJGA	in-vitro
CCC(C)(C)[C@@H]1CCc2c(C(=O)Cl)csc2C1	40451419	AUCOGUFDHGLBFW-SECBINFHSA-N	270.825	4.668	50	50	CJGA	
Nc1ccc(Br)cc1S(F)(F)(F)(F)F	1772718376	ROEJHSDBNOYZAI-UHFFFAOYSA-N	298.074	4.689	50	50	CJGA	
BrC[C@H]1CC2c3ccccc3C1c1ccccc12	71786956	GOMXVNXPGIXWJB-LBWKMTJJSA-N	299.211	4.679	50	50	CJGA	
C[C@@H](c1ccccc1)[C@@H](Br)c1ccccc1	3136997	UHMUZEBOXCHNND-SWLSCSKDSA-N	275.189	4.926	50	50	CJGA	
N#C/C(=C/Nc1ccc(Cl)cc1)c1ccc(Cl)cc1	1384723	HGNUKZQPLWWRMX-BENRWUELSA-N	289.165	4.970	50	50	CJGA	
C=C(C[C@@H](O)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C	169834656	OKKOIVKTQWCHCM-HUUCEWRRSA-N	286.532	4.608	50	50	CJGA	
Cn1cc(/C=C(/C#N)c2ccc(Cl)cc2)c2ccccc21	16319603	VANBFXYLLVUXAG-UVTDQMKNSA-N	292.769	4.896	50	50	CJGA	
Cc1cc(C)cc(P(Cl)c2cc(C)cc(C)c2)c1	100009650	FCEBDAANWYNQMO-UHFFFAOYSA-N	276.747	4.507	50	50	CJGA	
C=C(C[C@H](O)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C	169834658	OKKOIVKTQWCHCM-CABCVRRESA-N	286.532	4.608	50	50	CJGA	
Clc1cc(Cl)c(CBr)cc1Cl	138082319	PHDKMRIKFBWJGE-UHFFFAOYSA-N	274.372	4.542	50	50	CJGA	
Cc1nc(-c2ccc(Cl)cc2)sc1CCl	168453	GZXHFIJLAGIXIN-UHFFFAOYSA-N	258.173	4.511	50	50	CJGA	
ClCc1c(CCl)c2c(c3c1CCCC3)CCCC2	100971633	HCZDUDHCWFXGAS-UHFFFAOYSA-N	283.242	4.922	50	50	CJGA	
CN(C)c1ccc(/C=C/C=C(/C#N)c2ccc(F)cc2)cc1	5050281	RHGAEHCNVSTNKA-XSPSOZAFSA-N	292.357	4.512	50	50	CJGA	
BrCc1ccc2ccc3ccccc3c2c1	71785241	HKFPQUHNDRGDOS-UHFFFAOYSA-N	271.157	4.888	50	50	CJGA	
Cc1cccc(/C(C#N)=C\c2cn(C)c3ccccc23)c1	4865774	QLPYPYOKPGOCMH-WJDWOHSUSA-N	272.351	4.551	50	50	CJGA	
Cc1ccc(/C(C#N)=C\c2cn(C)c3ccccc23)cc1	4478320	BXXHBPQGHBBZDJ-WJDWOHSUSA-N	272.351	4.551	50	50	CJGA	
CC(C)N(CCCl)C(c1ccccc1)c1ccccc1	95811147	UJJJUYVUSJVKPS-UHFFFAOYSA-N	287.834	4.725	50	50	CJGA	
C/C(=C\CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO	169832322	KHJYKPMIZISDCZ-MFYHJKBNSA-N	286.532	4.753	50	50	CJGA	
Cc1c(CCl)cc(CCl)c(C)c1CCl	3075481	ZWXFQYBSJMBRNK-UHFFFAOYSA-N	251.584	4.520	50	50	CJGA	
CC(=O)CCC(C)(C)CCO[Si](C)(C)C(C)(C)C	169794279	YQBHEZUCDJPMOP-UHFFFAOYSA-N	272.505	4.794	50	50	CJGA	
C[C@@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C(\C#N)c1cccc(Cl)c1	104126930	FJXDKTYLHAMRTI-MNGODQPXSA-N	269.775	4.705	50	50	CJGA	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccco3)o2)cc1	406184	AXTZXUZYRRMXLO-RVDMUPIBSA-N	275.307	4.912	50	50	CJGA	
C[C@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C	169832564	DJNXIYYHRPMMJY-RFGFWPKPSA-N	296.527	4.648	50	50	CJGA	
COc1cccc(/C(C#N)=C\c2cccc3ccccc23)c1	4546981	XHTYGDLPCTYZKO-PDGQHHTCSA-N	285.346	4.913	50	50	CJGA	
CCCCCCCCCCCI	2037954	FKUQOQPBCHJHAP-UHFFFAOYSA-N	282.209	4.952	50	50	CJGA	in-vitro
Cc1ccccc1-c1cc(C(=O)Cl)c2ccccc2n1	6319185	YHRHRVSOOAHNFQ-UHFFFAOYSA-N	281.742	4.589	50	50	CJGA	
CC(C)N(C(C)C)P(=O)(Cl)N(C(C)C)C(C)C	101020926	GGQXXRDGDXVTFJ-UHFFFAOYSA-N	282.796	4.571	50	50	CJGA	
O=C(Cl)c1sc2cc(Cl)ccc2c1Cl	2573142	JCTLRFNZVZCAHR-UHFFFAOYSA-N	265.548	4.587	50	50	CJGA	biogenic
Cc1ccc(-c2cc(C(=O)Cl)c3cc(C)ccc3n2)cc1	6277519	XINBKQXTKABPQW-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
Cc1cc2nc(/C(C#N)=C/C=C/c3ccccc3)[nH]c2cc1C	4811175	ZNGBQNFBPGZXRW-PNTUOKEUSA-N	299.377	4.800	50	50	CJGA	
C=CC[C@@H]1C(=O)CCCC[C@@H]1O[Si](C)(C)C(C)(C)C	169836434	WKKSYESCDMHUOC-HIFRSBDPSA-N	282.500	4.712	50	50	CJGA	
Fc1ccccc1SSc1ccccc1F	19616011	BSLPHWROVJBMHX-UHFFFAOYSA-N	254.326	4.764	50	50	CJGA	in-vitro
CCCCCCCCCC(=O)N/N=C/c1ccc(C)cc1	102301130	RNFDTYQJQWMVJL-XDJHFCHBSA-N	288.435	4.586	50	50	CJGA	
COc1cccc(/C=C(\C#N)c2ccccc2)c1OC(C)C	309970	BSHBLXZUBUWNAF-SFQUDFHCSA-N	293.366	4.547	50	50	CJGA	
CCC(C)(C)OOC1(OOC(C)(C)CC)CCCCC1	2387340	IMYCVFRTNVMHAD-UHFFFAOYSA-N	288.428	4.920	50	50	CJGA	
Fc1ccccc1Oc1cccc(CBr)c1	2527969	FWAHWPGVFDHNCH-UHFFFAOYSA-N	281.124	4.513	50	50	CJGA	
CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C=CC(=O)CC1	169833263	QYTXXDOJXLXPCX-GDBMZVCRSA-N	296.527	4.816	50	50	CJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)cc1	6277589	UFPHGLNPZXQTDF-UHFFFAOYSA-N	281.742	4.589	50	50	CJGA	
C[C@@H](c1ccccc1)[C@H](Br)c1ccccc1	3136995	UHMUZEBOXCHNND-WFASDCNBSA-N	275.189	4.926	50	50	CJGA	
Cc1cc(SSc2ccc(O)c(C)c2)ccc1O	116492815	JSWNWMXLKMYRKL-UHFFFAOYSA-N	278.398	4.514	50	50	CJGA	
N#C/C(=C\c1ccc(Cl)cc1)c1nc(C2CC2)cs1	4020490	NJOGXYXOJGLTOK-KPKJPENVSA-N	286.787	4.738	50	50	CJGA	
C=C[C@](C)(CCC=C(C)C)[C@@H](O)[C@H](C)O[Si](C)(C)C	169834115	PASHADBPNZHTKO-HRCADAONSA-N	284.516	4.526	50	50	CJGA	
COc1ccc(Cl)cc1O[Si](C)(C)C(C)(C)C	261494445	XTUQTNFXMMRQOD-UHFFFAOYSA-N	272.848	4.733	50	50	CJGA	
C[Si](C)(C)OC(c1ccccc1)c1ccccc1	169816472	PGDZCDNDTPXJPW-UHFFFAOYSA-N	256.421	4.628	50	50	CJGA	
CS[C]1SS[C@@H]2[C@H]1c1ccccc1NC2(C)C	409415906	UQBGIVFHNRXDGW-GHMZBOCLSA-N	282.479	4.590	50	50	CJGA	
O=Cc1cc(Cl)cc(S(F)(F)(F)(F)F)c1	97949974	AHEFJQKJBDJLSO-UHFFFAOYSA-N	266.618	4.810	50	50	CJGA	
COc1ccc(-c2ccc(/C=C(\C#N)c3ccco3)o2)cc1	406183	NMYVKIZLIGILKU-SDNWHVSQSA-N	291.306	4.612	50	50	CJGA	
FC(F)c1cc(-c2ccc(CBr)cc2)ccn1	725273644	RWKHSMAYTLTFLC-UHFFFAOYSA-N	298.130	4.581	50	50	CJGA	
ClCc1ccc(Oc2ccc(CCl)cc2)cc1	1699469	ONXYNIGRSCRZNU-UHFFFAOYSA-N	267.155	4.957	50	50	CJGA	
Fc1cccc(SSc2cccc(F)c2)c1	157047	LFVFHTBHAIVNJQ-UHFFFAOYSA-N	254.326	4.764	50	50	CJGA	biogenic,in-vitro
N#C/C(=C/Nc1cccc(Cl)c1)c1ccc(Cl)cc1	1384737	PCXPCVIOGVMYBD-BENRWUELSA-N	289.165	4.970	50	50	CJGA	
Cc1ccc(/C(C#N)=C\c2ccc(Cl)cc2)cc1	4546416	MXVMGDZOZHYRFA-GDNBJRDFSA-N	253.732	4.713	50	50	CJGA	
Cc1cc(C)c(OP(=O)(Cl)Cl)c(C)c1	101021122	VSLBACCOWAWFEY-UHFFFAOYSA-N	253.065	4.576	50	50	CJGA	
Cc1ccc(C(=O)C[C@@H](Cl)c2ccc(C)cc2)cc1	3107124	XDXQAJLFANDRBI-MRXNPFEDSA-N	272.775	4.856	50	50	CJGA	
CCCCCCCCCCCC/C=C/[C@@H]1CC(=O)OC1=O	100014746	URVNZJUYUMEJFZ-FIFPYPGSSA-N	294.435	4.943	50	50	CJGA	
C=C1C[C@@H]2[C@@H](C[C@H]1O[Si](C)(C)C(C)(C)C)C2(C)C	169838087	OOCWQNZLUHDQBO-MGPQQGTHSA-N	266.501	4.999	50	50	CJGA	
CC(C)(C)[Si](C)(C)O[C@H](CCCO)c1ccccc1	169748011	PNPHQYBEZGQPHH-OAHLLOKOSA-N	280.484	4.522	50	50	CJGA	
Cc1ccc2nc(-c3ccccc3C)cc(C(=O)Cl)c2c1	6279258	QOACHBGLULUVFQ-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
CCc1ccc2nc(-c3ccc(C)o3)cc(C(=O)Cl)c2c1	40451316	RDLXRQSNCRQXIF-UHFFFAOYSA-N	299.757	4.745	50	50	CJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3cccc(C)c3n2)cc1	6277580	IAGJAEMEVTWLRQ-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
CC(C)(C)c1cc(CBr)cc(C(C)(C)C)c1O	2577829	YEOQCOZNFXPHHY-UHFFFAOYSA-N	299.252	4.882	50	50	CJGA	
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C	1670535	DMWVYCCGCQPJEA-UHFFFAOYSA-N	290.444	4.817	50	50	CJGA	
C=CC[C@H]1C(=O)CCCC[C@H]1O[Si](C)(C)C(C)(C)C	169836425	WKKSYESCDMHUOC-DZGCQCFKSA-N	282.500	4.712	50	50	CJGA	
Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Cl)c2c1	6255392	MVWNXEHEHMJASL-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
COc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1Cl	560507	CZDLFVBTJNJVAM-OQLLNIDSSA-N	283.758	4.721	50	50	CJGA	
Cc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)o1	4821320	UTSGAVKSEFFVSY-XYOKQWHBSA-N	298.392	4.855	50	50	CJGA	
CCC(C)(C)c1ccc2c(C(=O)Cl)csc2c1	40451421	UHIIXZYVBNUBDF-UHFFFAOYSA-N	266.793	4.968	50	50	CJGA	
Cc1c(CCl)cc(CCl)c(C)c1Br	3132252	QNGBJPBQYCEGCR-UHFFFAOYSA-N	282.008	4.544	50	50	CJGA	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	6823369	BNQAZLJFKXVZIK-YFHOEESVSA-N	282.170	4.516	50	50	CJGA	
N#C/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1	2548308	FANCAXJLECLTIF-LCYFTJDESA-N	257.695	4.543	50	50	CJGA	
CS[C]1SS[C@@H]2[C@@H]1c1ccccc1NC2(C)C	409415909	UQBGIVFHNRXDGW-WDEREUQCSA-N	282.479	4.590	50	50	CJGA	
CC(C)c1csc(/C(C#N)=C/c2cccn2C(F)F)n1	1615552049	RAZXDZSSBDOVKV-UXBLZVDNSA-N	293.342	4.527	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1cccc(Br)c1	169746911	BFRHMVJJJGUHDI-UHFFFAOYSA-N	287.273	4.833	50	50	CJGA	in-vitro
Cc1cc(C)c2nc(-c3ccc(C)o3)cc(C(=O)Cl)c2c1	6278988	KANRTIPDFKCIMT-UHFFFAOYSA-N	299.757	4.799	50	50	CJGA	
CC(C)(C)[Si](C)(C)OCCCCCBr	196588066	KOZQNKNVCXHJPO-UHFFFAOYSA-N	281.310	4.573	50	50	CJGA	
O=[P@@](Cl)(Nc1ccccc1)Oc1ccccc1	100005742	ZUQYQPGYEFBITH-QGZVFWFLSA-N	267.652	4.524	50	50	CJGA	
CC(C)(C)c1ccc2c(C(=O)Cl)csc2c1	40451418	CWUZGYPRFHTQQJ-UHFFFAOYSA-N	252.766	4.578	50	50	CJGA	
N#C/C(=C/c1cccn1-c1ccccc1)c1cccc(F)c1	4757662	BUJXPWCYPMCNPP-SSZFMOIBSA-N	288.325	4.681	50	50	CJGA	
N#C/C(=C/c1cccc2ccccc12)c1ccccc1	4825290	MFTJHPXAPOUGFQ-AQTBWJFISA-N	255.320	4.904	50	50	CJGA	
COc1ccccc1/C=C/C=C(/C#N)c1cccc(Cl)c1	401058	GFKZVAMJJODCQV-IIMAEBMTSA-N	295.769	4.969	50	50	CJGA	
FC(F)(F)c1cccc(-c2nc(CCl)cs2)c1	17007881	ZDYDRUGLBWIKRO-UHFFFAOYSA-N	277.698	4.568	50	50	CJGA	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)o1	13615815	JPYBBADLIWYSFO-ZROIWOOFSA-N	292.363	4.776	50	50	CJGA	
S=C=Nc1ccc(Cc2ccc(N=C=S)cc2)cc1	2574325	MPNVWXWBSJKVDD-UHFFFAOYSA-N	282.393	4.746	50	50	CJGA	
Clc1ccc(OCCCBr)c2ccccc12	2826129	RZXQHBIKPRMPSK-UHFFFAOYSA-N	299.595	4.657	50	50	CJGA	
BrCCC=C(c1ccccc1)c1ccccc1	71766916	GWCPTZNOWFHMER-UHFFFAOYSA-N	287.200	4.903	50	50	CJGA	
CC[C@@H](C)N(CCCl)Cc1cccc2ccccc12	95742240	ISUKAYWNTCSYJV-CQSZACIVSA-N	275.823	4.679	50	50	CJGA	
CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)CC1	169833261	QYTXXDOJXLXPCX-HOCLYGCPSA-N	296.527	4.816	50	50	CJGA	
Nc1cc(S(F)(F)(F)(F)F)ccc1Br	306234196	MHUUAOBFJIQRIF-UHFFFAOYSA-N	298.074	4.689	50	50	CJGA	
CC(C)(C)[Si](C)(C)O[C@@H](CCCO)c1ccccc1	169748010	PNPHQYBEZGQPHH-HNNXBMFYSA-N	280.484	4.522	50	50	CJGA	
Clc1c(C(Cl)Cl)nn(-c2ccccc2)c1Cl	3091252	XEEFGPTZKKCRMW-UHFFFAOYSA-N	295.984	4.655	50	50	CJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1C=C(Br)CCC1	169832416	YQKXJUXZAZVCIS-NSHDSACASA-N	291.305	4.840	50	50	CJGA	
COc1ccc(Cl)cc1/C=C(/C#N)c1ccccc1F	16384029	CNYMOZGZKHKHLB-WQLSENKSSA-N	287.721	4.552	50	50	CJGA	
O=C(O)c1cc(Cl)cc(S(F)(F)(F)(F)F)c1	97949975	QEUCPMZEYUIRBW-UHFFFAOYSA-N	282.617	4.696	50	50	CJGA	
BrCCCCCCCCOc1ccccc1	2579112	GSSAJHSMHLLHDC-UHFFFAOYSA-N	285.225	4.801	50	50	CJGA	
C[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1/C=C(\C#N)c1cccc(Cl)c1	257345660	FJXDKTYLHAMRTI-UHIKURFPSA-N	269.775	4.705	50	50	CJGA	
CS[C]1SS[C@H]2[C@H]1c1ccccc1NC2(C)C	409415907	UQBGIVFHNRXDGW-MNOVXSKESA-N	282.479	4.590	50	50	CJGA	
N#C/C(=C/C=C/c1ccccc1)c1cccc(Cl)c1	17023342	AFIWYYHCLYCCEJ-MMPACVFLSA-N	265.743	4.960	50	50	CJGA	
Cl[C@@H]1c2ccccc2[C@H]2c3ccccc3[C@H]1[C@@H]2Cl	104002571	UMSPATZKRSJLKZ-KLHDSHLOSA-N	275.178	4.817	50	50	CJGA	
FC(F)(F)c1ccc(-c2nc(CCl)cs2)cc1	163145	QOWNNZROJKFRSK-UHFFFAOYSA-N	277.698	4.568	50	50	CJGA	in-vitro
ClC[C@@H]1CC2c3ccccc3C1c1ccccc12	3127970	UVWKXZMZFLZPQS-OSSATUEASA-N	254.760	4.523	50	50	CJGA	
FS(F)(F)(F)(F)c1ccc2[nH]c(=S)[nH]c2c1	101695785	HMUGFBPMCCLOGO-UHFFFAOYSA-N	276.255	4.883	50	50	CJGA	
Nc1ccc(S(F)(F)(F)(F)F)cc1Br	100014439	BYEXDMPBPSYTNU-UHFFFAOYSA-N	298.074	4.689	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1F	261493416	APSWLEIWWDTICV-UHFFFAOYSA-N	260.812	4.863	50	50	CJGA	
Cc1ccc(N/C=C(/C#N)c2ccc(Cl)cc2)cc1	1743632	ADXSUJVNJSRSLB-KAMYIIQDSA-N	268.747	4.625	50	50	CJGA	
O=C1CCCCCCCCCCC=C[C@H]1Br	309157414	TVRFYSKCLJDHDD-CYBMUJFWSA-N	287.241	4.790	50	50	CJGA	
ClP(Cl)c1ccccc1P(Cl)Cl	100046146	IGYHSFVSIYJSML-UHFFFAOYSA-N	279.858	4.516	50	50	CJGA	
C=C[C@](C)(CCC=C(C)C)[C@H](O)[C@@H](C)O[Si](C)(C)C	169834121	PASHADBPNZHTKO-BZUAXINKSA-N	284.516	4.526	50	50	CJGA	
CCOC(=O)C(C#N)=C1CCCCCCCCCCC1	2750705	PUXXCCVIRBIRJV-UHFFFAOYSA-N	277.408	4.674	50	50	CJGA	
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Cl	6254403	KFXNVYYLWUVEAO-UHFFFAOYSA-N	281.742	4.589	50	50	CJGA	
Cc1ccccc1COc1ccc(Cl)cc1C(=O)Cl	40451549	DMTKDYKUALGLQK-UHFFFAOYSA-N	295.165	4.606	50	50	CJGA	
C/C=C/C=N/NC(=O)CCCCCCCCCCC	102315397	JQSFAFLDXXTCNT-FYBNGVAASA-N	266.429	4.585	50	50	CJGA	
CCCCCCCCC1C(C#N)=C(C)NC(C)=C1C#N	97950544	JGYVVNNXZDPITG-UHFFFAOYSA-N	271.408	4.552	50	50	CJGA	
CC(C)c1cccc(C(C)C)c1NC(=O)OCCCl	2167553	ICWSUHREOJILGB-UHFFFAOYSA-N	283.799	4.721	50	50	CJGA	
CCCCCCCCCCCC[Si](OC)(OC)OC	169744966	SCPWMSBAGXEGPW-UHFFFAOYSA-N	290.520	4.785	50	50	CJGA	in-vitro
CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1	2522555	RRNKCSIEGPOIKI-UHFFFAOYSA-N	293.363	4.641	50	50	CJGA	
C[C@H](c1ccccc1)[C@H](Br)c1ccccc1	3136996	UHMUZEBOXCHNND-DOMZBBRYSA-N	275.189	4.926	50	50	CJGA	
C=C[C@@H]1[C@@H](C(C)C)C(=O)C[C@]1(C)O[Si](C)(C)C(C)(C)C	169830490	DPVPVDVHUFWOBN-UNEWFSDZSA-N	296.527	4.814	50	50	CJGA	
O=C(Cl)c1ccc(-c2cccc(Cl)c2Cl)o1	2578574	KXMCTDJVXINLHL-UHFFFAOYSA-N	275.518	4.632	50	50	CJGA	
CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1	1687608	XMNIXWIUMCBBBL-UHFFFAOYSA-N	270.372	4.805	50	50	CJGA	biogenic,in-vitro
FC(F)(F)c1ccc2cc(CBr)sc2c1	1848350328	IWBOKXQYSBQGSE-UHFFFAOYSA-N	295.123	4.815	50	50	CJGA	
CCN(CCCl)Cc1csc2c(Cl)cccc12	329970	CBIZOVWJEZCSLW-UHFFFAOYSA-N	288.243	4.615	50	50	CJGA	
O=C1CCCCCCCCCC/C=C/[C@@H]1Br	45072130	TVRFYSKCLJDHDD-STRFDMGBSA-N	287.241	4.790	50	50	CJGA	
O=C(CCCCCCCCCl)Nc1ccccc1	4753666	XWYYQUUZBYJWFT-UHFFFAOYSA-N	267.800	4.595	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1Cl	261494343	VIKNQTXOINNOCD-UHFFFAOYSA-N	287.819	4.632	50	50	CJGA	
O=C(Cl)N1c2ccccc2Sc2ccccc21	394785	MJRIZSDRKPPHTK-UHFFFAOYSA-N	261.733	4.648	50	50	CJGA	in-vitro
CCCCCCCC(=O)N/N=C(/C)c1ccccc1Cl	100382400	WYMLGZJGVSDEOZ-AQTBWJFISA-N	294.826	4.541	50	50	CJGA	
Clc1cc(Cl)c(Cl)c(CBr)c1	52507620	IPFQCETYZRPQAM-UHFFFAOYSA-N	274.372	4.542	50	50	CJGA	
COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)c1	16319762	XAZFGEHIUVVGKC-GDNBJRDFSA-N	283.758	4.721	50	50	CJGA	
ClC[C@H]1COC2(CCCCCCCCCCC2)O1	333541	RHBAQLRMUDIJFL-AWEZNQCLSA-N	274.832	4.642	50	50	CJGA	
Cc1c(C)c(CCl)c2ccccc2c1CCl	3122069	MCKLDEKYJPTIBD-UHFFFAOYSA-N	253.172	4.934	50	50	CJGA	biogenic
O=C1C[C@@H]2CCCCCCC[C@]3(C2)[C@@H](Cl)[C@@H](Cl)[C@@H]13	101141382	GVRWFFZPQYBVMB-WCDYYPSBSA-N	289.246	4.541	50	50	CJGA	
ClCC1=Nc2ccccc2Sc2ccccc21	332389	NOKUQOFOFWUAEV-UHFFFAOYSA-N	259.761	4.511	50	50	CJGA	
Cc1ccc(-c2nc3ccccc3c(C(=O)Cl)c2C)cc1	6277341	MBXXAKLQDSASDQ-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
O=C1CCCCCCCCCC/C=C/[C@H]1Br	101054314	TVRFYSKCLJDHDD-YGNAEDSMSA-N	287.241	4.790	50	50	CJGA	
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CCl	3128022	BQYJDDLBAJDRAB-WNRVHTHHSA-N	268.787	4.769	50	50	CJGA	
CSc1sc(SC)c(CCl)c1CCl	281132	NNRCAZIHWSMGBR-UHFFFAOYSA-N	273.275	4.670	50	50	CJGA	
Cc1ccccc1-c1cc(C(=O)Cl)c2cccc(C)c2n1	6319175	BBBDZDNXKOSYAG-UHFFFAOYSA-N	295.769	4.898	50	50	CJGA	
Cc1cc(C)c(C(Cl)Cl)c(C)c1CCl	347353	SRHWITWDJHCCJX-UHFFFAOYSA-N	251.584	4.827	50	50	CJGA	
ClCc1ccc2sc(-c3ccccc3)nc2c1	526056044	HDRONEFYAOWORV-UHFFFAOYSA-N	259.761	4.702	50	50	CJGA	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(Cl)cc3)nc2c1	8782299	OSGWRQKLNLPYJK-UKTHLTGXSA-N	293.757	4.589	50	50	CJGA	
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCl	168147	JQVJAQPUFIIRJP-UHFFFAOYSA-N	291.725	4.876	50	50	CJGA	in-vitro
COc1ccc2c(Cl)c(C(=O)Cl)sc2c1Cl	5918482	RYIXVDARTFRZDX-UHFFFAOYSA-N	295.574	4.596	50	50	CJGA	
O=C(Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2578559	XQRLANCABKJNFO-UHFFFAOYSA-N	275.518	4.632	50	50	CJGA	
CC(C)(C)[Si](C)(C)Oc1ccc2cc(O)ccc2c1	196383981	WKVIQWGMANSRSM-UHFFFAOYSA-N	274.436	4.929	50	50	CJGA	
C[C@H](OC(=O)Cl)C1c2ccccc2-c2ccccc21	389584	SFRVOKMRHPQYGE-JTQLQIEISA-N	272.731	4.563	50	50	CJGA	in-vitro
N#C/C(=C\c1ccccc1)c1nc(-c2ccccc2)cs1	3996260	HASYGYFEXQRRMK-LFIBNONCSA-N	288.375	4.874	50	50	CJGA