smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)NN=C(C)c1cccc(C(F)(F)F)c1	254525888	ICWJYZJWXBCHKL-UHFFFAOYSA-N	260.215	2.785	50	30	CFGC	
O=C(OOC(=O)c1cccs1)c1cccs1	100477691	UGAYSOYUISAMLO-UHFFFAOYSA-N	254.288	2.738	50	30	CFGC	
CC(C)n1nc(Br)c(CBr)n1	2265378593	KHJXYLORCIJISK-UHFFFAOYSA-N	282.967	2.516	50	30	CFGC	
COc1ccc(N2CCC[C@H](Br)C2=O)cc1	70060660	ADDRTFSRBNLONX-NSHDSACASA-N	284.153	2.586	50	30	CFGC	
CC(C)(C)c1nn(-c2ccc(N=C=O)cc2Cl)c(=O)o1	5355817	WSQMDTRLPZJJGY-UHFFFAOYSA-N	293.710	2.744	50	30	CFGC	
COc1ccc(OCCCBr)cc1OC	146240629	LKEVWVMDGMJQQO-UHFFFAOYSA-N	275.142	2.868	50	30	CFGC	
O=C1c2ccc(Br)cc2C[C@H]1Br	150061630	RZDQRKLWYPCSRP-MRVPVSSYSA-N	289.954	2.951	50	30	CFGC	
BrCc1cccnc1CBr	146993052	QUHLMDHKWFNZOT-UHFFFAOYSA-N	264.948	2.871	50	30	CFGC	
O=C(CCCBr)CCCBr	78592612	YSAAJLWDNVBQFW-UHFFFAOYSA-N	271.980	2.906	50	30	CFGC	
FC(F)(F)[C@@H]1CCC[C@H](CI)O1	669371613	KIRYKRIYBQANPT-RITPCOANSA-N	294.054	2.921	50	30	CFGC	
COc1ccc(C2=NO[C@@H]([C@@H](C)Cl)C2)cc1F	217001514	DFJAFKMBCDAROB-JMCQJSRRSA-N	257.692	2.955	50	30	CFGC	
CC(C)[C@@H]1CC[C@@H](C)[C@@H](NNC(=O)c2ccncc2)C1	5735759	QKUOTWASBDDXHV-YUELXQCFSA-N	275.396	2.777	50	30	CFGC	
NNC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1	121992	WFOCAVFPAYVMSE-UHFFFAOYSA-N	287.102	2.982	50	30	CFGC	
CSC1=C(C#N)C(=O)N[C@@H](c2cccs2)S1	137134	ZVNGGJSVFRTQNX-SECBINFHSA-N	268.388	2.708	50	30	CFGC	
CCO[Si](C[C@H](C)CS)(OCC)OCC	195766704	IPJLELCCCCILNT-SNVBAGLBSA-N	252.452	2.601	50	30	CFGC	
CC(C)Cc1ccc(C=NC(C#N)=C(N)C#N)cc1	2265272004	ADVNRHLLJHJHMK-UHFFFAOYSA-N	252.321	2.521	50	30	CFGC	
CCOP(=O)(CCI)OCC	96395104	FKWKNMRMNHERBH-UHFFFAOYSA-N	292.053	2.688	50	30	CFGC	
FC(F)(F)[C@H](Br)CN1CCCCC1	82863963	HUVNSMUEFJOGCP-SSDOTTSWSA-N	260.097	2.798	50	30	CFGC	in-vitro
O=C1[C@@H](Br)CCCN1c1ccccc1F	70060696	OEUIYZYNUFWVPI-QMMMGPOBSA-N	272.117	2.716	50	30	CFGC	in-vitro
N#CC(C#N)=CNc1ccc(Oc2cccnc2)nc1	92807	VUGIYNICARNGKA-UHFFFAOYSA-N	263.260	2.612	50	30	CFGC	
Cc1c(N=C=S)c(=O)oc2cc(N(C)C)ccc12	2585815	WJBRBKATBOTUIV-UHFFFAOYSA-N	260.318	2.902	50	30	CFGC	
CNc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)cc1	145252	KYWCKQIBVXRFMO-XDHOZWIPSA-N	296.374	2.558	50	30	CFGC	
CCOC(=O)/C(C#N)=C/Nc1nc2ccc(C)cc2s1	13640047	QZNUFBDHGOKQMJ-CSKARUKUSA-N	287.344	2.987	50	30	CFGC	
Cn1cc(COc2ccc(C#CCCl)cc2)cn1	37544506	XLMIYDCRMVKXEY-UHFFFAOYSA-N	260.724	2.589	50	30	CFGC	
CC(C)(C)OC(=O)N1CCC[C@](C#N)(CCl)C1	306677082	YBKKWYCVKOLVBZ-GFCCVEGCSA-N	258.749	2.766	50	30	CFGC	
COC(=O)c1ccc(C=C(C#N)C#N)n1-c1ccc(F)cc1	110712	IUDFJOBIQLVKJP-UHFFFAOYSA-N	295.273	2.834	50	30	CFGC	
BrCc1cncc(Br)c1	34410848	AJQDEUJYFUHVHS-UHFFFAOYSA-N	250.921	2.739	50	30	CFGC	in-vitro
CN(C)/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	33381039	PNGDEBAYFBZFLI-BQYQJAHWSA-N	284.146	2.901	50	30	CFGC	
O=C1c2cccc(Br)c2C[C@@H]1Br	39235025	MZJYWCIXSWLFTP-QMMMGPOBSA-N	289.954	2.951	50	30	CFGC	
C[C@H](c1ccc(F)cc1)N1CC[C@@H](Br)C1=O	82607636	ZJANZAHNNZICIN-LDYMZIIASA-N	286.144	2.883	50	30	CFGC	in-vitro
CCOC(=N)[C@@H](O)c1cc(CCCl)ccc1OC	39135048	IJCLMBRDMDMYHA-LBPRGKRZSA-N	271.744	2.524	50	30	CFGC	
COC(=O)C1=CC=C(C)[C@@]2(OO)Oc3ccccc3[C@]12C	137390063	BPSIWBZUHIFTBR-CVEARBPZSA-N	288.299	2.582	50	30	CFGC	
O[C@@H](CCI)c1cccs1	36428982	KRZSQNQECJUPRL-LURJTMIESA-N	268.119	2.607	50	30	CFGC	
FC(F)(F)[C@H]1CCC[C@H](CI)O1	669371612	KIRYKRIYBQANPT-PHDIDXHHSA-N	294.054	2.921	50	30	CFGC	
COc1ccc(C(=O)O[Si](C)(C)C)cc1OC	195781416	JZIXRRXJQVBHJP-UHFFFAOYSA-N	254.358	2.696	50	30	CFGC	
O=C(NCc1ccccc1)N/N=C/c1cccs1	172605	LIAGHZIYCNYWHZ-XNTDXEJSSA-N	259.334	2.581	50	30	CFGC	
Cn1cccc1C(=O)/C(C#N)=C/c1ccc(C#N)cc1	4323383	UPDFFDVTWDQRDK-NTEUORMPSA-N	261.284	2.687	50	30	CFGC	
CC(C)(C)C(=O)NNC(=O)c1cc2sccc2s1	108121	COIAZUFTUULJIZ-UHFFFAOYSA-N	282.390	2.770	50	30	CFGC	
O=C(CBr)c1ccc(NC(=O)C2CC2)cc1	71423140	RMOKDJGVZNRLOU-UHFFFAOYSA-N	282.137	2.613	50	30	CFGC	
COOC(=O)c1csc2ccc([N+](=O)[O-])cc12	100121847	XHADUFMCVDZADY-UHFFFAOYSA-N	253.235	2.528	50	30	CFGC	
CC(C)CC(=O)OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	199453640	BPBIBJIWSKSCNA-NSHDSACASA-N	299.367	2.502	50	30	CFGC	
O=C1c2ccc(Br)cc2C[C@@H]1Br	150061838	RZDQRKLWYPCSRP-QMMMGPOBSA-N	289.954	2.951	50	30	CFGC	
COc1ccc(-c2n[nH]cc2C=C(C#N)C#N)cc1	111807	AANOBVXOVSFVEY-UHFFFAOYSA-N	250.261	2.516	50	30	CFGC	
COc1cc(C(=O)CBr)c(F)cc1F	307516072	SIPZBCGTTPFCGP-UHFFFAOYSA-N	265.053	2.551	50	30	CFGC	
CC(C)[C@H](CBr)ONC(=O)OC(C)(C)C	306642290	SINRFUBLTQQKKB-QMMMGPOBSA-N	282.178	2.862	50	30	CFGC	
O=C(c1ccc(F)cc1)C1CCN(CCN=C=S)CC1	33608386	OLRWWWTWDHELJX-UHFFFAOYSA-N	292.379	2.823	50	30	CFGC	
Cn1c(N=C=O)cc2ccc(Br)cc21	211921485	WCDKSMSKHKCUGO-UHFFFAOYSA-N	251.083	2.908	50	30	CFGC	
CCOC(=O)/C(C#N)=C/N1CCC[C@H]1c1cccs1	1024118	UKLNLYQKFHBEBJ-IIANPFDCSA-N	276.361	2.856	50	30	CFGC	
O=C1[C@H](Br)CCCN1c1ccc(F)cc1	70060685	VFNAGEBCCYECJQ-SNVBAGLBSA-N	272.117	2.716	50	30	CFGC	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)n1	80517	WHEIGPUPYHQWAN-DHZHZOJOSA-N	286.722	2.619	50	30	CFGC	
COc1cccc2sc(NC=C(C#N)C#N)nc12	91079	FGDSQYGKJZMTCQ-UHFFFAOYSA-N	256.290	2.648	50	30	CFGC	
N#CCC(=O)N/N=C/c1cc(-c2ccccc2)oc1Cl	1021154	WMNXGMLXMUZCNK-RQZCQDPDSA-N	287.706	2.964	50	30	CFGC	
C[C@H](CCI)NC(=O)OC(C)(C)C	147460334	UIMDTLOXOIDRDY-SSDOTTSWSA-N	299.152	2.725	50	30	CFGC	
O=C(CBr)c1cccc(OC2CC2)c1	144694289	HXUVHTKSOJKDHY-UHFFFAOYSA-N	255.111	2.805	50	30	CFGC	
CC[C@H](CBr)NC(=O)OC(C)(C)C	139336833	LHUZRZWPDFETMS-SSDOTTSWSA-N	252.152	2.685	50	30	CFGC	
CN1CCC(Nc2cc(F)ccc2C(=O)CCl)CC1	39123990	PFVZKGLLXCRQRH-UHFFFAOYSA-N	284.762	2.753	50	30	CFGC	
Br[C@H]1[C@H]2C[C@H]3[C@@H]1[N@@+]3(Cc1ccccc1)C2	263584605	XHYJGHLAIHMIPV-CXOVXGEYSA-N	265.174	2.551	50	30	CFGC	
CCCCOc1ccc(C=N/C(C#N)=C(/N)C#N)cc1	242425526	BNJAHKRXYYDKSJ-UHFFFAOYSA-N	268.320	2.502	50	30	CFGC	
N#CC1=C(N)OC(c2ccco2)=C(C#N)[C@@H]1c1ccco1	138917	WCGXMZRVGHHTOT-ZDUSSCGKSA-N	279.255	2.615	50	30	CFGC	
COc1ccccc1N(C)C(=O)C(C)(C)CCl	111000016	DNNJOHIVTLVHGJ-UHFFFAOYSA-N	255.745	2.923	50	30	CFGC	
CC(C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	195807563	DDXSFMQPXKWPIU-UHFFFAOYSA-N	289.524	2.684	50	30	CFGC	
N#CC1=C(N)OC(C2CC2)=C(C#N)[C@H]1c1ccccc1	165524	MNBJRTBULODTNB-CQSZACIVSA-N	263.300	2.682	50	30	CFGC	
CCOc1cccc(C(=O)OC)c1CBr	238298671	QTWIEYHWLNDIJF-UHFFFAOYSA-N	273.126	2.767	50	30	CFGC	
O=C(Cl)c1ccc(OCCN2CCCCC2)cc1	2576297	QGKJLTUHTANSOU-UHFFFAOYSA-N	267.756	2.930	50	30	CFGC	in-vitro
O=C1[C@H](Br)CCCN1Cc1ccccc1	70060863	OASXCKSPMWTYKM-LLVKDONJSA-N	268.154	2.573	50	30	CFGC	
Br[C@H]1Oc2ccccc2O[C@@H]1Br	100031423	SWOGYTCPGNFHBE-YUMQZZPRSA-N	293.942	2.900	50	30	CFGC	
Cn1cccc1/C(C#N)=C\c1ccc2c(c1)OCO2	12367823	DAPJZLKGHRNCTJ-GHXNOFRVSA-N	252.273	2.818	50	30	CFGC	
COc1ccc([C@H]2C(C#N)=C(N)OC(C3CC3)=C2C#N)cc1	165546	BBROCFJAXMUVNV-OAHLLOKOSA-N	293.326	2.691	50	30	CFGC	
NC(=O)N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	106165	FMEIOIBWQZXLSY-JJPRUIFNSA-N	299.174	2.726	50	30	CFGC	
O=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1	245285355	WQSHHAVECQJKLX-UHFFFAOYSA-N	291.310	2.704	50	30	CFGC	
IC[C@@H]1CCCC2(CCC2)O1	307646235	BQYCVQDQMQMGNO-QMMMGPOBSA-N	266.122	2.913	50	30	CFGC	
CCO[Si](OCC)(OCC)c1ccccc1Cl	196215442	CVSUASMSFBGDIZ-UHFFFAOYSA-N	274.820	2.595	50	30	CFGC	
C/C=C/c1ccc(O[Si](C)(OC)OC)c(OC)c1	198030366	HCQLHYNNWLFIIJ-VOTSOKGWSA-N	268.385	2.969	50	30	CFGC	
O=C1[C@@H](Br)CCN1c1ccc(Cl)c(F)c1	82608063	NTVZXXGNHBUOJV-ZETCQYMHSA-N	292.535	2.979	50	30	CFGC	in-vitro
FC(F)(F)[C@@H]1CCC[C@@H](CI)O1	669371614	KIRYKRIYBQANPT-WDSKDSINSA-N	294.054	2.921	50	30	CFGC	
Fc1nc(Br)ccc1CBr	238588914	XMINSFOWBOQZIR-UHFFFAOYSA-N	268.911	2.878	50	30	CFGC	
IC[C@@H]1C[C@@H]2CCCC[C@@H]2O1	306400720	BEGLGHHJJMBSRC-CIUDSAMLSA-N	266.122	2.769	50	30	CFGC	
COc1cc(/C=C(\C#N)C(=O)OC(C)(C)C)cc(OC)c1	102429	WOCXFBVCDKYXAM-WUXMJOGZSA-N	289.331	2.952	50	30	CFGC	
C[C@H](Cl)[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1	217000940	GNJJORJYEKMYEJ-SDBXPKJASA-N	251.713	2.742	50	30	CFGC	
C=C[Si](OCC)(c1ccccc1)c1ccccc1	195767019	GGJQEMXRDJPGAH-UHFFFAOYSA-N	254.405	2.508	50	30	CFGC	
O=C(NNc1ccccc1C(F)(F)F)C1CCC1	147175	OPKBSELKJDYTMN-UHFFFAOYSA-N	258.243	2.949	50	30	CFGC	
COC(=O)c1ccc(-c2nc(CCl)co2)cc1	95348070	PAKSNSMDIUKBBD-UHFFFAOYSA-N	251.669	2.867	50	30	CFGC	
N#CC1=C(N)OC(C2CC2)=C(C#N)[C@@H]1c1ccccc1	165521	MNBJRTBULODTNB-AWEZNQCLSA-N	263.300	2.682	50	30	CFGC	
O=C1Nc2ccccc2C1=Cc1cc(C(=O)CCl)c[nH]1	2265279008	TXAORZNEFJVBGJ-UHFFFAOYSA-N	286.718	2.929	50	30	CFGC	
CN(C)/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	33289395	NJQDDPIDMBHIFF-BQYQJAHWSA-N	284.146	2.901	50	30	CFGC	
C[C@@H](CBr)CNC(=O)OC(C)(C)C	124108707	HYTMOLGBQNHTPA-ZETCQYMHSA-N	252.152	2.542	50	30	CFGC	
[C-]#[N+][C@@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1	101141111	AOVROUBYOLXDOJ-CYBMUJFWSA-N	261.302	2.980	50	30	CFGC	
Br[C@@H]1CC1(Br)Br	113364451	VTKNAATZEMZZPA-UWTATZPHSA-N	278.769	2.640	50	30	CFGC	
CC(=O)/C(C#N)=C(\N)c1c(Cl)cccc1Cl	20421109	AJIWOJJKNCINNN-XFFZJAGNSA-N	255.104	2.776	50	30	CFGC	
CC(C)(C)OC(=O)N1CCC[C@]1(C#N)CCCl	71254538	HYQLUBITXSSPQS-GFCCVEGCSA-N	258.749	2.909	50	30	CFGC	
N#CC(C#N)=CNCCSc1ncccc1C(F)(F)F	4300615	MCQOAIHWBLHOLE-UHFFFAOYSA-N	298.293	2.713	50	30	CFGC	
CC(C)C[C@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1	100094996	AIMWGGCVQLSNCM-LBPRGKRZSA-N	291.303	2.717	50	30	CFGC	
CC(C)(C)C(=O)C(C#N)=CN1CCN(c2ccccc2)CC1	2265272082	VJGONQMEEXXWOS-UHFFFAOYSA-N	297.402	2.831	50	30	CFGC	
COCCCN(C(=O)CCl)c1ccccc1C	1852405	ZKSYQOAXWWMYSC-UHFFFAOYSA-N	255.745	2.603	50	30	CFGC	
COC(=O)c1ncc(C(F)(F)F)cc1CBr	95763615	BLYKADKOIMJBIU-UHFFFAOYSA-N	298.058	2.782	50	30	CFGC	
COC(=O)C1(c2ccc(CBr)cc2)CC1	113921578	LOXCTPDCGDIIIJ-UHFFFAOYSA-N	269.138	2.786	50	30	CFGC	in-vitro
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1C	156889	LXJMGWJFZOXRBK-UKTHLTGXSA-N	281.315	2.651	50	30	CFGC	
O=C(NN=Cc1ccccc1O)Nc1ccccc1	254592849	KJQAVFPMYZFAEU-UHFFFAOYSA-N	255.277	2.548	50	30	CFGC	
COC(=O)[C@@H](O[Si](C)(C)C)c1ccc(OC)c(OC)c1	195786399	MUPUNBHKTYLHQY-ZDUSSCGKSA-N	298.411	2.769	50	30	CFGC	
Cc1ccc([N+](=O)[O-])c(C(=O)N/N=C/c2cccs2)c1	68095	IAROKDGFQBZWRY-RIYZIHGNSA-N	289.316	2.729	50	30	CFGC	
CS[C@@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C	196317283	FUAKCPWOVKGAFN-YWVKMMECSA-N	275.490	2.832	50	30	CFGC	
O=C(NNc1ccc(F)cc1)c1ccc(F)cc1F	148639	AZFPOYMKTSWNBU-UHFFFAOYSA-N	266.222	2.861	50	30	CFGC	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CBr	238804949	YGPRMKRMCDPNCY-RKDXNWHRSA-N	278.190	2.884	50	30	CFGC	
BrCc1cc(Br)sn1	116145717	UQMHBWOPZJAIQP-UHFFFAOYSA-N	256.950	2.801	50	30	CFGC	
COc1ccc(Br)cc1[S@@](=O)Cl	306781364	JOXYXLMWNFMAQW-GFCCVEGCSA-N	269.547	2.719	50	30	CFGC	
CS[C@@H]1NC(=O)[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C	196317293	FUAKCPWOVKGAFN-NGZCFLSTSA-N	275.490	2.832	50	30	CFGC	
CCOC(=O)C1CCC(I)CC1	113666251	STVLWAGUQVPCAZ-UHFFFAOYSA-N	282.121	2.543	50	30	CFGC	
Cc1ccc(NNC(=O)Nc2ccc(Cl)cc2)nn1	92870	IARXQYKAGGLXIZ-UHFFFAOYSA-N	277.715	2.587	50	30	CFGC	
CS(=O)(=O)Nc1ccc(CBr)c(Cl)c1	667360799	CTYQYZNCRPQVFK-UHFFFAOYSA-N	298.589	2.606	50	30	CFGC	
Cc1cccc(N2CCC[C@H](Br)C2=O)c1	70060788	COZMGTIIQARTMF-NSHDSACASA-N	268.154	2.885	50	30	CFGC	
CC(C)CC(=O)N1CCC(CBr)CC1	19783770	JZWYGXAHLOMCFL-UHFFFAOYSA-N	262.191	2.666	50	30	CFGC	in-vitro
CC[C@@H](CBr)NC(=O)OC(C)(C)C	139336715	LHUZRZWPDFETMS-ZETCQYMHSA-N	252.152	2.685	50	30	CFGC	
COc1ccc(/C=C(\C#N)C(=O)OC(C)(C)C)cc1	101048	LILVCMVOWHJAJW-FMIVXFBMSA-N	259.305	2.944	50	30	CFGC	
CC(C)(C)[Si](C)(C)OCCC1=C[C@H](O)[C@H](O)CC1	2265351867	LHJFWKBMNHJFGE-OLZOCXBDSA-N	272.461	2.840	50	30	CFGC	
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(N)=S	137874	MAFUVXMRFZMFCV-LZCJLJQNSA-N	273.144	2.892	50	30	CFGC	
Cn1c(/C(C#N)=C/c2ccc(N)cc2)nc2cccnc21	4075353	RDUVDWXNLDXDMY-FMIVXFBMSA-N	275.315	2.615	50	30	CFGC	
CSc1sc(C(=O)NN=C(C)C)c2c1[C@H](O)CCC2	125530	ICVZTQKBNKTZCH-SECBINFHSA-N	298.433	2.965	50	30	CFGC	
CCOC(=O)[C@H](Br)CCCCCl	100096915	ZHXVCCOSNXYCOF-SSDOTTSWSA-N	257.555	2.722	50	30	CFGC	
O=C1[C@@H](Br)CCCN1c1ccc(F)cc1	70060684	VFNAGEBCCYECJQ-JTQLQIEISA-N	272.117	2.716	50	30	CFGC	
Cc1cccc(N2CCC[C@@H](Br)C2=O)c1	70060789	COZMGTIIQARTMF-LLVKDONJSA-N	268.154	2.885	50	30	CFGC	
O=C1[C@@H](Br)CCCN1c1ccc(F)c(F)c1	70060702	XVSCTBQBDDZROG-QMMMGPOBSA-N	290.107	2.855	50	30	CFGC	
BrCc1ccn(Cc2ccccc2)n1	34087419	XSEANTQZLWNAJG-UHFFFAOYSA-N	251.127	2.826	50	30	CFGC	
BrC[C@H]1Cn2c(nnc2-c2ccccc2)S1	95942544	ALFGOQIZSNTHCA-VIFPVBQESA-N	296.193	2.814	50	30	CFGC	
CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(C#N)cc1	101071	WJXJEEBJRNNBQL-MDWZMJQESA-N	254.289	2.807	50	30	CFGC	
IC[C@H]1CCC[C@@H](C2CC2)O1	306384693	ZSVDYCQNWBTPAD-BDAKNGLRSA-N	266.122	2.769	50	30	CFGC	
CCO[Si](C[C@@H](C)CS)(OCC)OCC	195766703	IPJLELCCCCILNT-JTQLQIEISA-N	252.452	2.601	50	30	CFGC	
N#CC(N)=C(C#N)N=Cc1ccc(Cl)cc1Cl	2265272076	URBKTPMIMOJNPL-UHFFFAOYSA-N	265.103	2.630	50	30	CFGC	
COc1ccc(C2=NO[C@@H]([C@H](C)Cl)C2)cc1F	217001506	DFJAFKMBCDAROB-JVXZTZIISA-N	257.692	2.955	50	30	CFGC	
O=C(NNc1ccc(F)cc1F)c1cccs1	152983	XIOLPVLLKYRDTD-UHFFFAOYSA-N	254.261	2.783	50	30	CFGC	
IC[C@@H]1CCC[C@@H](C2CC2)O1	306384695	ZSVDYCQNWBTPAD-IUCAKERBSA-N	266.122	2.769	50	30	CFGC	
COc1ccc(C(=O)OO)c(-c2cc(O)c(O)cc2C)c1	100404509	GWGIZSANXIQQQR-UHFFFAOYSA-N	290.271	2.712	50	30	CFGC	
CCOC(=O)[C@@H](Br)c1ccccc1F	82569925	YKRLHAOXUXKBRE-VIFPVBQESA-N	261.090	2.825	50	30	CFGC	
IC[C@H]1CCOc2ccccc21	33369627	WUBBCYRDJZNINH-MRVPVSSYSA-N	274.101	2.988	50	30	CFGC	
C[C@@H](Br)c1ccc(S(C)(=O)=O)cc1	36894575	YZMVNSSLFDYENG-SSDOTTSWSA-N	263.156	2.546	50	30	CFGC	
Cc1ccc([C@@H]2C(C#N)=C(N)OC(C3CC3)=C2C#N)cc1	165527	MIKJLSNESHSJMM-HNNXBMFYSA-N	277.327	2.990	50	30	CFGC	
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)CBr	128907250	GMZJDVXXELYUIS-MRVPVSSYSA-N	294.189	2.644	50	30	CFGC	
IC[C@H]1CC2(CCCC2)CO1	536956852	DAYYMFNWQYTFGQ-MRVPVSSYSA-N	266.122	2.771	50	30	CFGC	
CO[C@H]1[C@H](Br)CCCN1C(=O)OC(C)(C)C	238390035	ISVZLPGGGAROET-BDAKNGLRSA-N	294.189	2.753	50	30	CFGC	
N#CC(C#N)=CNc1ccc2oc3ncccc3c(=O)c2c1	90647	NPFOQZYPUHAKDB-UHFFFAOYSA-N	288.266	2.684	50	30	CFGC	
COC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	101617	MVKZVXFLNYUOFK-RMKNXTFCSA-N	255.195	2.785	50	30	CFGC	
Cc1nc2ccc(NC(=O)C(Cl)Cl)cc2o1	172212	FQUWKCRNHNSZIS-UHFFFAOYSA-N	259.092	2.878	50	30	CFGC	
CCOC(=O)[C@@H](Br)[C@H](C)C(F)(F)F	2390218	GNKFSVGWVCDYSV-WHFBIAKZSA-N	263.053	2.511	50	30	CFGC	
N#C/C(=C\N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1	165782	HHNJRBADLHFQTG-JLHYYAGUSA-N	296.779	2.574	50	30	CFGC	
Cc1cccc(S(=O)(=O)CCCBr)c1	19788678	WMLPDQRPGWRUQE-UHFFFAOYSA-N	277.183	2.554	50	30	CFGC	in-vitro
NC(=O)c1ccc2[nH]cc(CCCCCl)c2c1	150153506	ASBRIGHEPFSYRU-UHFFFAOYSA-N	250.729	2.828	50	30	CFGC	
IC[C@H]1CCC[C@H](C2CC2)O1	306384696	ZSVDYCQNWBTPAD-RKDXNWHRSA-N	266.122	2.769	50	30	CFGC	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)Cl	139130567	XQYJANFHPUJZBR-DTORHVGOSA-N	276.764	2.675	50	30	CFGC	
C[C@H](CBr)NC(=O)OCc1ccccc1	146099487	BSADFGJODFYVIW-SECBINFHSA-N	272.142	2.696	50	30	CFGC	
COC(=O)c1scc(C)c1NC(=O)C(Cl)Cl	81974	PGTUATZYAZKPIK-UHFFFAOYSA-N	282.148	2.585	50	30	CFGC	
COC(=O)c1sccc1NNC(=O)c1ccc(C)cc1	82726	ZABKVLHRADOODA-UHFFFAOYSA-N	290.344	2.600	50	30	CFGC	
CC(C)(C)OC(=O)N1CC=C(CBr)CC1	205031797	JCJDUPMRVJZCPN-UHFFFAOYSA-N	276.174	2.949	50	30	CFGC	
C[Si](C)(CCCCN)O[Si](C)(C)CCCCN	195764400	ILCGTNBULCHWOE-UHFFFAOYSA-N	276.573	2.891	50	30	CFGC	
COC(=O)[C@H](O[Si](C)(C)C)c1ccc(OC)c(OC)c1	195786400	MUPUNBHKTYLHQY-CYBMUJFWSA-N	298.411	2.769	50	30	CFGC	
O=C(CCc1ccccc1)NNc1ccccc1F	151465	NDZUXVDEIWFJLQ-UHFFFAOYSA-N	258.296	2.902	50	30	CFGC	
COC(=O)C1=CC=C(C)[C@]2(OO)Oc3ccccc3[C@@]12C	137390262	BPSIWBZUHIFTBR-JKSUJKDBSA-N	288.299	2.582	50	30	CFGC	
S=C=NCc1ccc(I)cc1	2038497	QMNNXEXDGXWBME-UHFFFAOYSA-N	275.114	2.894	50	30	CFGC	
Cc1ccccc1N1CCC[C@H](Br)C1=O	70060808	WCIGZSDAMPQQCL-JTQLQIEISA-N	268.154	2.885	50	30	CFGC	
Cc1[nH]cnc1C(=O)N/N=C/c1c(Cl)cccc1Cl	15924139	WMSBFZWESKPGGO-YAXRCOADSA-N	297.145	2.789	50	30	CFGC	
C[C@@H](Cl)[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1	217000944	GNJJORJYEKMYEJ-OQPBUACISA-N	251.713	2.742	50	30	CFGC	
CC(C)(C)OC(=O)N[C@H](C(=O)OCCl)C(C)(C)C	616571654	QNTYPTBKHFMTQA-MRVPVSSYSA-N	279.764	2.665	50	30	CFGC	
C[C@H](Br)CCNC(=O)OC(C)(C)C	123597644	SHXAOLXCZAHVAU-ZETCQYMHSA-N	252.152	2.685	50	30	CFGC	
Nc1ccccc1C(=O)NNc1ccccc1Cl	145345	NNLBXIFXIVXBDB-UHFFFAOYSA-N	261.712	2.679	50	30	CFGC	
Br[C@@H]1[C@H]2C[C@H]3[C@@H]1[N@@+]3(Cc1ccccc1)C2	263584604	XHYJGHLAIHMIPV-AIUMHDJVSA-N	265.174	2.551	50	30	CFGC	
CO[Si](CCc1ccccc1CCl)(OC)OC	195762390	UFTVYYXWUBLQLZ-UHFFFAOYSA-N	274.820	2.846	50	30	CFGC	
CS[C@@H]1NC(=O)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C	196317305	FUAKCPWOVKGAFN-KKZNHRDASA-N	275.490	2.832	50	30	CFGC	
CC(=CCNC(=O)OC(C)(C)C)CBr	2265383726	XGFPGHUNBMMYOV-UHFFFAOYSA-N	264.163	2.852	50	30	CFGC	
COC(=O)c1ccccc1CCCBr	34508385	TWOSSTVSFCNWQG-UHFFFAOYSA-N	257.127	2.801	50	30	CFGC	
COC(=O)NN=C(C)c1ccc(Br)cc1	254743041	ISWMQBRXADLWKE-UHFFFAOYSA-N	271.114	2.529	50	30	CFGC	
C[C@@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C	200221678	UVTNYQNEFVHIBQ-SFYZADRCSA-N	264.163	2.779	50	30	CFGC	
CC(=O)Nc1cc2c(cc1C(=O)CCl)CCCC2	39124013	DMOULBUKRBTROW-UHFFFAOYSA-N	265.740	2.945	50	30	CFGC	
IC[C@@H]1CCC[C@H](C2CC2)O1	306384694	ZSVDYCQNWBTPAD-DTWKUNHWSA-N	266.122	2.769	50	30	CFGC	
NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	36948096	LYZMZOMELGNPJN-UHFFFAOYSA-N	254.504	2.642	50	30	CFGC	
IC[C@@H]1C[C@H]2CCCC[C@@H]2O1	306400722	BEGLGHHJJMBSRC-VGMNWLOBSA-N	266.122	2.769	50	30	CFGC	
CCOC(=N)[C@H](O)c1cc(CCCl)ccc1OC	39135047	IJCLMBRDMDMYHA-GFCCVEGCSA-N	271.744	2.524	50	30	CFGC	
CCOC(=O)[C@@H](Br)[C@@H](C)C(F)(F)F	5227578	GNKFSVGWVCDYSV-UHNVWZDZSA-N	263.053	2.511	50	30	CFGC	
CC(C)(C)OC(=O)N1CCC[C@@](C#N)(CCl)C1	306677083	YBKKWYCVKOLVBZ-LBPRGKRZSA-N	258.749	2.766	50	30	CFGC	
CC(C)[C@@H]1CC[C@H](C)[C@H](NNC(=O)c2ccncc2)C1	256070436	QKUOTWASBDDXHV-NWANDNLSSA-N	275.396	2.777	50	30	CFGC	
CCOC(=O)[C@]1(c2ccccc2)C[C@H]1Br	669371653	NSLRDTXBNJRJKS-PWSUYJOCSA-N	269.138	2.655	50	30	CFGC	
N#Cc1ncc(Br)cc1CBr	237995506	WCUVUUYBGAXREG-UHFFFAOYSA-N	275.931	2.611	50	30	CFGC	
CCO[Si](CCc1ccccn1)(OCC)OCC	238790345	KMLVDTJUQJXRRH-UHFFFAOYSA-N	269.417	2.673	50	30	CFGC	
C[S@](=O)(=NC=C(C#N)C#N)c1ccc(Cl)cc1	13466097	HJKMWSIWTZGQBX-QGZVFWFLSA-N	265.725	2.728	50	30	CFGC	
O[C@@H](CBr)C12CC3CC(CC(C3)C1)C2	246628	JOPAFDSOJPEXPK-CRCJWISWSA-N	259.187	2.959	50	30	CFGC	
C[C@H](Cl)[C@H]1CC(c2ccc3c(c2)CCO3)=NO1	217000956	GNJJORJYEKMYEJ-ISVAXAHUSA-N	251.713	2.742	50	30	CFGC	
C[C@@H](Br)c1cn(Cc2ccccc2)nn1	134093365	MGQXYCJPLBNASP-SECBINFHSA-N	266.142	2.782	50	30	CFGC	
COC[SiH](OCc1ccccc1)OCc1ccccc1	195766667	JHPNMXRYRUGNHR-UHFFFAOYSA-N	288.419	2.826	50	30	CFGC	
N#C/C(Cl)=C(\Cl)S(=O)(=O)c1ccccc1	38635339	PHKFZNHKWSVWNM-HJWRWDBZSA-N	262.117	2.631	50	30	CFGC	
COc1ccccc1N1CCC[C@@H](Br)C1=O	68575105	VBCFZNURRJDAGC-SECBINFHSA-N	284.153	2.586	50	30	CFGC	in-vitro
IC[C@@H]1CCOc2ccccc21	33369626	WUBBCYRDJZNINH-QMMMGPOBSA-N	274.101	2.988	50	30	CFGC	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cl	38999512	WVKBZINDMBNOFY-HTQZYQBOSA-N	251.779	2.576	50	30	CFGC	
Cc1ccc(S(=O)(=O)C(C#N)=C2SCCS2)cc1	4344682	BZROFJHPFGWSAG-UHFFFAOYSA-N	297.426	2.941	50	30	CFGC	
O=c1cc(CCl)c2cc(Br)c(O)cc2o1	141616643	TVUUWNOFLFDCFQ-UHFFFAOYSA-N	289.512	3.000	50	30	CFGC	
N#CCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1	15986873	CCYRDRJXORZVCA-UHFFFAOYSA-N	293.326	2.629	50	30	CFGC	
Fc1nccc(I)c1CCCCl	114142981	UXHMHXXJWOGUCI-UHFFFAOYSA-N	299.514	2.997	50	30	CFGC	
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccco1	161589	IKRIEFVNGBDHEZ-UHFFFAOYSA-N	295.751	2.564	50	30	CFGC	
C[C@H]1C[C@@H](Br)CN1C(=O)OC(C)(C)C	217753177	UVTNYQNEFVHIBQ-JGVFFNPUSA-N	264.163	2.779	50	30	CFGC	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc[nH]1	111585	NCFYACZKDNRSOX-QGMBQPNBSA-N	281.237	2.797	50	30	CFGC	
CCOc1ccccc1OCCI	35928995	LJSCVNJEBIWYLD-UHFFFAOYSA-N	292.116	2.899	50	30	CFGC	
COC(=O)C1=CC=C(C)[C@@]2(OO)Oc3ccccc3[C@@]12C	137390128	BPSIWBZUHIFTBR-HOTGVXAUSA-N	288.299	2.582	50	30	CFGC	
BrC(Br)c1ccccn1	113595638	DZLNILWRYDQHCP-UHFFFAOYSA-N	250.921	2.870	50	30	CFGC	
N#CC(C#N)=CN1CCC(C(=O)c2ccccc2)CC1	111693	PMLLTNGPEZRHHY-UHFFFAOYSA-N	265.316	2.512	50	30	CFGC	
O=C(NNc1ccccc1F)c1ccc(F)cc1F	151454	XPYHEGKNICSXDN-UHFFFAOYSA-N	266.222	2.861	50	30	CFGC	
C[C@@H](c1ccc(F)cc1)N1CC[C@H](Br)C1=O	82607627	ZJANZAHNNZICIN-KWQFWETISA-N	286.144	2.883	50	30	CFGC	in-vitro
CC(C)CCC[C@@H](C)CCOc1cccc(B(O)O)c1	196843362	XCGZTXOKLYKMJC-CQSZACIVSA-N	278.201	2.598	50	30	CFGC	
CC(C)(C)S(=O)(=O)/C(C#N)=C/Nc1ccc(Cl)cn1	96453	IEDHSYQOIYUTDI-CSKARUKUSA-N	299.783	2.725	50	30	CFGC	
CC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125846340	HBLBYNVKYQSZLE-UHFFFAOYSA-N	271.704	2.737	50	30	CFGC	
C[C@@H](CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C	111403676	VEOMCUUTIYXSLV-VIFPVBQESA-N	276.329	2.559	50	30	CFGC	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Cl	38999514	WVKBZINDMBNOFY-JGVFFNPUSA-N	251.779	2.576	50	30	CFGC	
CCOP(OCCBr)N(C)CC	299803327	IVNGZQMVEYMVTI-UHFFFAOYSA-N	258.096	2.613	50	30	CFGC	
O=C1O[C@@H](CBr)CN1C1CCCCC1	96949326	BIMDAYKKEYIFRM-VIFPVBQESA-N	262.147	2.535	50	30	CFGC	
CO[C@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@H]1C)[C@]24OO3	97978086	SXYIRMFQILZOAM-QTZVKNATSA-N	298.379	2.841	50	30	CFGC	
FC(F)(F)[C@@H]1CC[C@H](CI)O1	642882380	VMEZTVDNPKFRGZ-UHNVWZDZSA-N	280.027	2.531	50	30	CFGC	
Cn1cc(N=C=O)c2cc(Br)ccc21	215649015	FLSWKIHLYUTWPX-UHFFFAOYSA-N	251.083	2.908	50	30	CFGC	
CSC(=S)N(C)NC(=O)Nc1cccc(Cl)c1	140206	SRDZSTBTTUTTAT-UHFFFAOYSA-N	289.813	2.956	50	30	CFGC	
C[C@H]1CN(C(=O)Cl)C[C@@H](C)N1C(=O)OC(C)(C)C	139125875	BDUYTDNTRNMAOT-DTORHVGOSA-N	276.764	2.675	50	30	CFGC	
COC(OC)(c1ccc(Cl)cc1)[C@@H](O)CCCl	33637027	SOYDQPROSDZXGA-NSHDSACASA-N	279.163	2.775	50	30	CFGC	
Cc1ccc(NNC(=O)c2snnc2C)cc1Cl	147462	ZXJJSYWGUPAQNT-UHFFFAOYSA-N	282.756	2.565	50	30	CFGC	
COC(OC)(c1ccc(Cl)cc1)[C@H](O)CCCl	33637026	SOYDQPROSDZXGA-LLVKDONJSA-N	279.163	2.775	50	30	CFGC	
CC(C)(C)[Si](C)(C)OCCC1=C[C@@H](O)[C@H](O)CC1	2265351866	LHJFWKBMNHJFGE-CHWSQXEVSA-N	272.461	2.840	50	30	CFGC	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/N(C)C	33371568	BTDJHTVMZWANRG-CSKARUKUSA-N	263.728	2.556	50	30	CFGC	
CCOC(CC[Si](OCC)(OCC)OCC)OCC	195766112	FNVLANCFUDHVBO-UHFFFAOYSA-N	294.464	2.824	50	30	CFGC	
O=C1c2cccc(Br)c2C[C@H]1Br	39235026	MZJYWCIXSWLFTP-MRVPVSSYSA-N	289.954	2.951	50	30	CFGC	
CO[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C	197326477	LWYDSNGPAWAZEP-UHFFFAOYSA-N	252.535	2.905	50	30	CFGC	
CC(C)(C)c1ccc(S(=O)(=O)C/C=C/C#N)cc1	575440339	JYEZIIYOOLUXKZ-SNAWJCMRSA-N	263.362	2.838	50	30	CFGC	
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1CO	3185870	HEAPTOCSYMPTLE-PXYULHTISA-N	280.327	2.608	50	30	CFGC	
O=C1[C@H](Br)CCN1c1cccc(Cl)c1	71766362	UGZCVJHTCSFIKL-SECBINFHSA-N	274.545	2.840	50	30	CFGC	
O=[N+]([O-])c1ccc(CCI)cc1	71296255	SRYFPKKLUIWUGW-UHFFFAOYSA-N	277.061	2.572	50	30	CFGC	
COC(=O)CCc1ccc(CBr)cc1	116309216	RSNAZWRZAAVNKH-UHFFFAOYSA-N	257.127	2.687	50	30	CFGC	
COc1ccc(OC)c(C(=O)[C@H](C)Br)c1	36903460	ABONBTQFMVFJQQ-ZETCQYMHSA-N	273.126	2.670	50	30	CFGC	
C[C@@H](Br)CCNC(=O)OC(C)(C)C	123597854	SHXAOLXCZAHVAU-SSDOTTSWSA-N	252.152	2.685	50	30	CFGC	
COC(=O)[C@H](Br)c1ccc(F)c(F)c1	98131243	UTXQGMIDBWDOCU-MRVPVSSYSA-N	265.053	2.574	50	30	CFGC	
IC[C@@H]1CCC2(CCC2)O1	307721121	VMYZCPNTCWXXOX-ZETCQYMHSA-N	252.095	2.523	50	30	CFGC	
IC[C@H]1CCCC2(CCC2)O1	307646233	BQYCVQDQMQMGNO-MRVPVSSYSA-N	266.122	2.913	50	30	CFGC	
Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1	3179626	MXIIABZXYDCGIV-PXYULHTISA-N	265.316	2.698	50	30	CFGC	
O=C(NNc1c(Cl)cncc1Cl)C1CCC1	146816	XGMLXLCXARQQEI-UHFFFAOYSA-N	260.124	2.632	50	30	CFGC	
COc1cc2c(cc1OC)[C@@H]1C[C@@H](C)C(C=O)=CN1CC2	4202579	UNVIRAJJRSKZKJ-ABAIWWIYSA-N	287.359	2.726	50	30	CFGC	
CN(C)C(C=CNc1c(F)cccc1F)=C(C#N)C#N	2265278855	GVMNNUDYMNRGMY-UHFFFAOYSA-N	274.274	2.753	50	30	CFGC	
O=C=NCCc1cc(Cl)ccc1Br	82164048	YJAXYBSXZPXSFB-UHFFFAOYSA-N	260.518	2.981	50	30	CFGC	
COc1cc(CBr)c(Br)cn1	146436366	CRASONJHDZGJHL-UHFFFAOYSA-N	280.947	2.748	50	30	CFGC	
IC[C@@H]1C[C@@H]2CCCC[C@H]2O1	140461083	BEGLGHHJJMBSRC-XHNCKOQMSA-N	266.122	2.769	50	30	CFGC	
CC(C)(C)OC(=O)NCCSSC(C)(C)C(=O)O	2386073	FUMPSJKFHVLVAY-UHFFFAOYSA-N	295.426	2.756	50	30	CFGC	
COCCOCCOCCSSc1ccccn1	108644471	PTGRXBGUOBTOCS-UHFFFAOYSA-N	289.422	2.502	50	30	CFGC	
CN(C)C(CC=NOCc1ccccc1F)=C(C#N)C#N	254515180	WSALCLGSSBYRPV-UHFFFAOYSA-N	286.310	2.581	50	30	CFGC	
COc1cc(Br)c(CBr)cn1	307211160	NOJWVKRYWFJPQK-UHFFFAOYSA-N	280.947	2.748	50	30	CFGC	
BrC[C@H]1CCC2(CCC3(CC2)OCCO3)O1	686228258	RFRBBJBJSRLXSS-SNVBAGLBSA-N	291.185	2.616	50	30	CFGC	
CC1(C)C[C@](C)(OO[C@@]2(C)CC(C)(C)OO2)OO1	111409682	POYUZXCADUJUPK-RYUDHWBXSA-N	262.302	2.628	50	30	CFGC	
CCOC(=O)[C@H](Br)Cc1ccc(F)cc1	5717277	QLVWDFCNACXBIB-SNVBAGLBSA-N	275.117	2.695	50	30	CFGC	
ClCCCCCn1nnc(-c2ccccc2)n1	36964149	KLTAEEQNYXRJGP-UHFFFAOYSA-N	250.733	2.749	50	30	CFGC	in-vitro
CC(C)(C)[Si](C)(C)OCCC1=C[C@H](O)[C@@H](O)CC1	2265351869	LHJFWKBMNHJFGE-STQMWFEESA-N	272.461	2.840	50	30	CFGC	
CC(C)(C)c1ccc(OCC(=O)NN)c(C(C)(C)C)c1	80871	LKSWZIMBSPNKKR-UHFFFAOYSA-N	278.396	2.650	50	30	CFGC	
CC(=O)[C@@H](Br)Cc1ccc(F)cc1F	52228061	RQXBZTMMKYICMJ-VIFPVBQESA-N	263.081	2.860	50	30	CFGC	in-vitro
CC(C)(COCc1ccccc1)NC(=O)NCCCl	216716457	CNARJEGMJJOOCR-UHFFFAOYSA-N	284.787	2.520	50	30	CFGC	
C[C@@H](c1ccc(F)cc1)N1CC[C@@H](Br)C1=O	82607632	ZJANZAHNNZICIN-GZMMTYOYSA-N	286.144	2.883	50	30	CFGC	in-vitro
CCOC(=O)[C@@H](Br)Cc1ccc(F)cc1	5717567	QLVWDFCNACXBIB-JTQLQIEISA-N	275.117	2.695	50	30	CFGC	
Cc1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1	153267	AMLNHSYELJZRKH-UHFFFAOYSA-N	290.392	2.901	50	30	CFGC	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NNC(=O)c1ccncc1	31771020	LYHMPVWGLTUEIJ-SNPRPXQTSA-N	275.396	2.777	50	30	CFGC	
CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CCl)cc1	725325383	OSAZBDYWGCNPQM-UHFFFAOYSA-N	291.782	2.654	50	30	CFGC	
O=C1[C@H](Br)CCCN1c1ccccc1F	70060697	OEUIYZYNUFWVPI-MRVPVSSYSA-N	272.117	2.716	50	30	CFGC	in-vitro
Cc1cc(C)nc(N/C=C(\C#N)C(=O)c2ccoc2C)n1	168149	AHYVMJINGVPPTQ-XYOKQWHBSA-N	282.303	2.697	50	30	CFGC	
COOC(=O)c1c(C)sc2ccc([N+](=O)[O-])cc12	100120973	UHCSAESLSYDHKU-UHFFFAOYSA-N	267.262	2.836	50	30	CFGC	
O[C@H](CBr)C12CC3CC(CC(C3)C1)C2	246626	JOPAFDSOJPEXPK-LTMLNTECSA-N	259.187	2.959	50	30	CFGC	
Cn1nccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	116250	KSNUZFHJXYCHTI-DHZHZOJOSA-N	286.722	2.619	50	30	CFGC	
O=C(N/N=C/c1ccccc1Cl)c1ccccc1CO	164951	CUQPHRWCXNDORP-RQZCQDPDSA-N	288.734	2.596	50	30	CFGC	
COc1cc2c(cc1OC)[C@H](C)N(C=C(C#N)C#N)CC2	166901	WQFQPTIAOHNRRX-NSHDSACASA-N	283.331	2.554	50	30	CFGC	
CCOC(=O)[C@H](Br)c1ccccc1F	82569924	YKRLHAOXUXKBRE-SECBINFHSA-N	261.090	2.825	50	30	CFGC	
COC(=O)c1cc(C(F)(F)F)ncc1CBr	95642711	RIQGEFHAESTLGL-UHFFFAOYSA-N	298.058	2.782	50	30	CFGC	
N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccc(F)c(F)c1F	93270	QLYXSTHYWALFCD-SOFGYWHQSA-N	291.232	2.978	50	30	CFGC	
CC1(C)C[C@](C)(OO[C@]2(C)CC(C)(C)OO2)OO1	111409679	POYUZXCADUJUPK-TXEJJXNPSA-N	262.302	2.628	50	30	CFGC	
CC(=O)O[C@@](O)(C#N)c1cccc(Oc2ccccc2)c1	60258546	JVQCKDMHSUNKRM-INIZCTEOSA-N	283.283	2.711	50	30	CFGC	
N#C/C(=C\N(c1ccccc1)c1ccccc1)C(N)=O	135981061	HYQLALBKHYJQKD-OUKQBFOZSA-N	263.300	2.717	50	30	CFGC	
COc1ccc(N2CCC[C@@H](Br)C2=O)cc1	70060661	ADDRTFSRBNLONX-LLVKDONJSA-N	284.153	2.586	50	30	CFGC	
COC(=O)c1ccc(/C(C)=N/NC(=O)OC(C)(C)C)cc1	137009026	DQYIKEHENIUSRH-MHWRWJLKSA-N	292.335	2.722	50	30	CFGC	
CC(C)CCC[C@@H](C)CCOc1ccc(B(O)O)cc1	196843240	GVOMHDGKWIWKBD-CQSZACIVSA-N	278.201	2.598	50	30	CFGC	
CC(=O)[C@H](Br)Cc1c(F)cccc1F	52229246	BUYURKBUFBYEIL-MRVPVSSYSA-N	263.081	2.860	50	30	CFGC	in-vitro
ClCCCN1CCN(c2ccc3ccccc3n2)CC1	1905213	SABCCZAHTZTCNO-UHFFFAOYSA-N	289.810	2.986	50	30	CFGC	
FC(F)(F)[C@H]1CC[C@H](CI)O1	642882379	VMEZTVDNPKFRGZ-RFZPGFLSSA-N	280.027	2.531	50	30	CFGC	
COC(=O)[C@@H](Br)Cc1ccc(Cl)cc1	20272484	ASEUZAXHZDPWMY-VIFPVBQESA-N	277.545	2.819	50	30	CFGC	
N#C/C(=C\Nc1ccccn1)C(=O)c1cccs1	6258248	VLUPRYSBIYZZTJ-MDZDMXLPSA-N	255.302	2.845	50	30	CFGC	
N#C/C(=C\c1ccncc1)c1ccc(NC(N)=O)cc1	137609	SRHWRBICYLITDJ-UKTHLTGXSA-N	264.288	2.636	50	30	CFGC	
COc1ccc(Br)cc1[S@](=O)Cl	306781366	JOXYXLMWNFMAQW-LBPRGKRZSA-N	269.547	2.719	50	30	CFGC	
CC(C)(C)OC(=O)C[C@@H]1C[C@H](CCl)OC(C)(C)O1	98091789	TXLXWCARAPIXGH-VHSXEESVSA-N	278.776	2.867	50	30	CFGC	
CNC[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@@H]2Br	306870289	SYCGUXQTHQVZSU-KZZRWZIVSA-N	258.203	2.796	50	30	CFGC	
Cc1ccc(N2CCC[C@H](Br)C2=O)cc1	70060792	PTFNRRIZKLQRFI-NSHDSACASA-N	268.154	2.885	50	30	CFGC	in-vitro
Cc1cc(NC(=O)C(Cl)Cl)n(-c2ccccc2)n1	165284	ZRABOEIYBQSDOV-UHFFFAOYSA-N	284.146	2.923	50	30	CFGC	
CN(C(=O)Cl)C1CCN(C(=O)OC(C)(C)C)CC1	686086247	SVHOUHMUBXXSGP-UHFFFAOYSA-N	276.764	2.677	50	30	CFGC	
CC(C)[C@@H](CBr)ONC(=O)OC(C)(C)C	306642289	SINRFUBLTQQKKB-MRVPVSSYSA-N	282.178	2.862	50	30	CFGC	
C[S@@](=O)(=NC=C(C#N)C#N)c1ccc(Cl)cc1	100218556	HJKMWSIWTZGQBX-KRWDZBQOSA-N	265.725	2.728	50	30	CFGC	
CCOC(OCC)[C@@H](Br)CBr	5334230	DVTLFBDHZBBAET-LURJTMIESA-N	289.995	2.544	50	30	CFGC	
CC(C)(C)C(=O)N1CCC(CBr)CC1	19783772	DVLSDKCGQDGISW-UHFFFAOYSA-N	262.191	2.666	50	30	CFGC	
C[C@@H]1C[C@@H](Br)CN1C(=O)OC(C)(C)C	217753094	UVTNYQNEFVHIBQ-HTQZYQBOSA-N	264.163	2.779	50	30	CFGC	
Br[C@@H]1Oc2ccccc2O[C@H]1Br	100031418	SWOGYTCPGNFHBE-HTQZYQBOSA-N	293.942	2.900	50	30	CFGC	
C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)OC1=O	59093994	ZJQKWHGYVMACBW-LLVKDONJSA-N	259.088	2.725	50	30	CFGC	
FC(F)(F)[C@@H](Br)CN1CCCCC1	82863962	HUVNSMUEFJOGCP-ZETCQYMHSA-N	260.097	2.798	50	30	CFGC	in-vitro
COc1ccccc1C(=O)OC(=O)c1ccccc1OC	59212560	CPPYQMZQDONVGK-UHFFFAOYSA-N	286.283	2.701	50	30	CFGC	
CC1(C)COC(CCCCI)OC1	95931577	BPFUSAQYSJHDHS-UHFFFAOYSA-N	298.164	2.991	50	30	CFGC	
CCOC(=O)/C(C#N)=C/Nc1ccccc1SC	167621	YGERPPOHUUISMQ-MDZDMXLPSA-N	262.334	2.791	50	30	CFGC	
CCOC(OCC)[C@H](Br)CBr	5334206	DVTLFBDHZBBAET-ZCFIWIBFSA-N	289.995	2.544	50	30	CFGC	
C[C@H](CBr)CNC(=O)OC(C)(C)C	124108552	HYTMOLGBQNHTPA-SSDOTTSWSA-N	252.152	2.542	50	30	CFGC	
CSC1=C(C#N)C(=O)N[C@H](c2cccs2)S1	137137	ZVNGGJSVFRTQNX-VIFPVBQESA-N	268.388	2.708	50	30	CFGC	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)c1ccco1	4322770	AANRTUIWWLVXQK-IZZDOVSWSA-N	267.240	2.798	50	30	CFGC	
CCOC(=O)NNC(=S)Nc1ccc(C(C)(C)C)cc1	4366336	YDIYHXVBVRLSFP-UHFFFAOYSA-N	295.408	2.932	50	30	CFGC	
COC(C=CNc1ccc(OC)cc1)=C(C#N)C#N	2265269926	PVSHEGHITQYAPG-UHFFFAOYSA-N	255.277	2.568	50	30	CFGC	
Br[C@@H]1Oc2ccccc2O[C@@H]1Br	100031414	SWOGYTCPGNFHBE-OCAPTIKFSA-N	293.942	2.900	50	30	CFGC	
CC(C)(C)OC(=O)N1CC=C[C@H](Br)C1	238146956	KMPZGCZOGMLILR-QMMMGPOBSA-N	262.147	2.557	50	30	CFGC	
O=C(Cl)C(=O)c1c[nH]c2ccc(Br)cc12	15225809	WFIILXQRCACCQW-UHFFFAOYSA-N	286.512	2.879	50	30	CFGC	
FC(F)(F)[C@H]1CCC[C@@H](CI)O1	669371611	KIRYKRIYBQANPT-NTSWFWBYSA-N	294.054	2.921	50	30	CFGC	
COC(=O)/C(C#N)=C/c1cccc(Br)c1	100710	PMSRUVLHCJQDNV-WEVVVXLNSA-N	266.094	2.529	50	30	CFGC	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)Cl	5344227	QKFACLSIOLLYTR-UHFFFAOYSA-N	283.498	2.990	50	30	CFGC	
CCOC(=O)/C(C#N)=C(\Nc1ccc(OC)cc1)SC	13464216	SNQYHFDRBPGNOD-OUKQBFOZSA-N	292.360	2.768	50	30	CFGC	
CCOC(=O)/C(C#N)=C\Nc1cc(OC)cc2cccnc12	4693245	SPIFGNJOLVTQLH-BENRWUELSA-N	297.314	2.626	50	30	CFGC	
Cn1c(CCCC(=O)O)nc2cc(NCCCl)ccc21	200612453	UMRNCYQXTUODGC-UHFFFAOYSA-N	295.770	2.631	50	30	CFGC	in-vitro
CCOC(=O)/C(C#N)=C\Nc1cc(OC)c2ncccc2c1	4693246	UFTQBQZERUHZIQ-BENRWUELSA-N	297.314	2.626	50	30	CFGC	
CC(=O)N(/C=C/C=C(C#N)C#N)c1cccc(C)c1	6071582	CCWOFCIFAYOGNC-XBXARRHUSA-N	251.289	2.835	50	30	CFGC	
O=C(NNC(=O)c1ccc(Cl)cc1)Oc1ccccc1	79245	GGHWDTUTRHVULD-UHFFFAOYSA-N	290.706	2.773	50	30	CFGC	
C[C@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C	217752999	UVTNYQNEFVHIBQ-YUMQZZPRSA-N	264.163	2.779	50	30	CFGC	
CN(N=O)C(=O)Nc1ccc(Br)cc1	5957100	XSHFAQXUVMJKGJ-UHFFFAOYSA-N	258.075	2.594	50	30	CFGC	
CC(C)(C)OC(=O)c1coc(CBr)n1	34595476	OVULLLZBCDDFSV-UHFFFAOYSA-N	262.103	2.525	50	30	CFGC	
CC(C)[C@H](CBr)NC(=O)OC(C)(C)C	125842722	MGTUVIJGSSSBTN-QMMMGPOBSA-N	266.179	2.931	50	30	CFGC	
O=[N+]([O-])c1cc(I)cc(CCl)c1	95763937	UEFFDIXVKYRIRM-UHFFFAOYSA-N	297.479	2.938	50	30	CFGC	in-vitro
CN(C)C(CC=NOCc1cccc(F)c1)=C(C#N)C#N	254520739	NUPDKXICSDZELJ-UHFFFAOYSA-N	286.310	2.581	50	30	CFGC	
CC1(C)CCc2cc(/C=C(\C#N)S(C)(=O)=O)ccc2O1	149310	DXMVVNSAVCASNL-UKTHLTGXSA-N	291.372	2.699	50	30	CFGC	
CC(C)[C@@H]1CC[C@H](C)[C@@H](NNC(=O)c2ccncc2)C1	5752032	QKUOTWASBDDXHV-CFVMTHIKSA-N	275.396	2.777	50	30	CFGC	
CC(C)(CI)CC(=O)Cl	950757243	KVGHBDNFIVTHQE-UHFFFAOYSA-N	260.502	2.603	50	30	CFGC	
O=C(Cl)N1CCc2cc(Br)cnc21	2265384941	IUKQAMPLASPWSG-UHFFFAOYSA-N	261.506	2.565	50	30	CFGC	
O=C(O)c1cc(F)c(CBr)cc1F	642883324	QHARKTFFPLFEFA-UHFFFAOYSA-N	251.026	2.558	50	30	CFGC	
Cc1ccc([C@H]2C(C#N)=C(N)OC(C3CC3)=C2C#N)cc1	165531	MIKJLSNESHSJMM-OAHLLOKOSA-N	277.327	2.990	50	30	CFGC	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)on2)cc1	4394563	FGXQJYXAHQUHFX-XYOKQWHBSA-N	268.272	2.782	50	30	CFGC	
O=C(c1ccccc1)C(Br)Br	100076970	ZHAORBUAOPBIBP-UHFFFAOYSA-N	277.943	2.985	50	30	CFGC	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NNC(=O)c1ccncc1	5735737	LYHMPVWGLTUEIJ-BPLDGKMQSA-N	275.396	2.777	50	30	CFGC	
CSc1sc(C(=O)NN=C(C)C)c2c1[C@@H](O)CCC2	125527	ICVZTQKBNKTZCH-VIFPVBQESA-N	298.433	2.965	50	30	CFGC	
COc1cc(C)cc(C)c1C(=O)CBr	82567045	CBXARLPEXZEGOM-UHFFFAOYSA-N	257.127	2.890	50	30	CFGC	
O=[N+]([O-])c1cccc(CCI)c1	71297063	LHPBYVOGXUOVCX-UHFFFAOYSA-N	277.061	2.572	50	30	CFGC	
CO[C@H]1[C@@H](Br)CCCN1C(=O)OC(C)(C)C	238386882	ISVZLPGGGAROET-IUCAKERBSA-N	294.189	2.753	50	30	CFGC	
CC(C)(C)C(=O)N1CCC[C@H](CBr)C1	19783825	SMAYVAMSOFARES-SECBINFHSA-N	262.191	2.666	50	30	CFGC	
BrCC(CBr)C1CCOCC1	575525355	IVXHQYWHVAAHGL-UHFFFAOYSA-N	286.007	2.819	50	30	CFGC	
N#CC(Nc1cccc(C#N)c1)=C1C(=O)c2ccccc2C1=O	100171	RWVRWIQQWIVLFR-UHFFFAOYSA-N	299.289	2.827	50	30	CFGC	
COC(=O)c1ncoc1-c1ccc(CCl)cc1	950757546	RXJSUONKMSNCFW-UHFFFAOYSA-N	251.669	2.867	50	30	CFGC	
O=C(CCc1ccccc1)NNc1ccc(F)cc1	148649	WBGHWTBQGURLSX-UHFFFAOYSA-N	258.296	2.902	50	30	CFGC	
CC(=O)[C@@H](Br)Cc1ccc(F)c(F)c1F	52228483	SHCZWKXWAAEKFJ-ZETCQYMHSA-N	281.071	2.999	50	30	CFGC	in-vitro
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NNC(=O)c1ccncc1	31771022	LYHMPVWGLTUEIJ-YUELXQCFSA-N	275.396	2.777	50	30	CFGC	
CCOC(=O)/C(C#N)=C/Nc1nc2ccc(F)cc2s1	167411	CHTLLIDAAOPITB-BQYQJAHWSA-N	291.307	2.818	50	30	CFGC	
CC1(C)C[C@@](C)(OO[C@]2(C)CC(C)(C)OO2)OO1	111409676	POYUZXCADUJUPK-VXGBXAGGSA-N	262.302	2.628	50	30	CFGC	
COC(=O)c1ccc(OC)c(O[Si](C)(C)C)c1	195784475	KBCFBQHJWCDVHH-UHFFFAOYSA-N	254.358	2.696	50	30	CFGC	
C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)OC1=O	59093996	ZJQKWHGYVMACBW-NSHDSACASA-N	259.088	2.725	50	30	CFGC	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br	307309124	FEXGUYGWUMPQLK-SFYZADRCSA-N	264.163	2.637	50	30	CFGC	
COC(=O)c1cccc(Br)c1CCl	21994064	UNTRNMPVUONXGT-UHFFFAOYSA-N	263.518	2.975	50	30	CFGC	
CC(=O)c1ccc(N(N)C(=O)OC(C)(C)C)cc1	95911139	JLVNTJVDQRBREZ-UHFFFAOYSA-N	250.298	2.504	50	30	CFGC	
CCOC(=O)/C(C#N)=C(\C)c1ccc(NC(C)=O)cc1	144957	BEERLKILSXPOAY-GXDHUFHOSA-N	272.304	2.505	50	30	CFGC	
N#CC(Nc1ccccc1)=C1C(=O)c2ccccc2C1=O	105065	DWWPCTRAWPUOLB-UHFFFAOYSA-N	274.279	2.955	50	30	CFGC	
FC(F)(F)C(F)(F)COCCBr	96034609	HGBADQYTORWLND-UHFFFAOYSA-N	256.996	2.596	50	30	CFGC	
CC(C)(CBr)CS(=O)(=O)c1ccccc1	83161075	BVMTWZWMNBNTFI-UHFFFAOYSA-N	291.210	2.881	50	30	CFGC	
COc1ccc(C2=NO[C@H]([C@@H](C)Cl)C2)cc1F	217001498	DFJAFKMBCDAROB-KRTXAFLBSA-N	257.692	2.955	50	30	CFGC	
O=C1CC(c2ccc(Cl)c(Cl)c2)CC(=O)O1	114330604	UOLHGGKIAWBSPT-UHFFFAOYSA-N	259.088	2.941	50	30	CFGC	
CC(C)(C)[Si](C)(C)OCC#CC1(O)CCOCC1	536553512	WTZVYUJFIVRAHF-UHFFFAOYSA-N	270.445	2.553	50	30	CFGC	
COC(=O)c1ccc(CBr)c2ncccc12	196719045	VNXFJEWIZOSRFN-UHFFFAOYSA-N	280.121	2.916	50	30	CFGC	
CCOC(=O)CC1(C)OOC(C)(C)CCC(C)(C)OO1	111416956	MKGMCCVHOVSDTI-UHFFFAOYSA-N	290.356	2.903	50	30	CFGC	
CCO[Si](CC[C@H](C)S)(OCC)OCC	195769060	XUGBJJNOIWRRPH-JTQLQIEISA-N	252.452	2.743	50	30	CFGC	
Cc1ccc(NC(=O)/C(C#N)=C/N(C)C)cc1Cl	33381014	HNGRCAUCAVEEGG-CSKARUKUSA-N	263.728	2.556	50	30	CFGC	
CC(C)(C)OC(=O)C[C@@H]1C[C@@H](CCl)OC(C)(C)O1	98091791	TXLXWCARAPIXGH-UWVGGRQHSA-N	278.776	2.867	50	30	CFGC	
CC(C)(C)OC(=O)C[C@H]1C[C@H](CCl)OC(C)(C)O1	98091790	TXLXWCARAPIXGH-NXEZZACHSA-N	278.776	2.867	50	30	CFGC	
Cc1cc(Cl)ccc1NNC(=O)c1snnc1C	147508	QUUVZAAUSMJIJD-UHFFFAOYSA-N	282.756	2.565	50	30	CFGC	
Cc1ccc(N2CCC[C@@H](Br)C2=O)cc1	70060793	PTFNRRIZKLQRFI-LLVKDONJSA-N	268.154	2.885	50	30	CFGC	in-vitro
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)CBr	128907088	GMZJDVXXELYUIS-QMMMGPOBSA-N	294.189	2.644	50	30	CFGC	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NNC(=O)c1ccncc1	5735768	LYHMPVWGLTUEIJ-VHDGCEQUSA-N	275.396	2.777	50	30	CFGC	
COC1(CCl)CCN(C(=O)OC(C)(C)C)CC1	401967601	GYGRITTTZJJLLH-UHFFFAOYSA-N	263.765	2.641	50	30	CFGC	
N#CC(C#N)=CNCCSc1ccc(C(F)(F)F)cn1	4300560	OUDDBLWNKBRZIZ-UHFFFAOYSA-N	298.293	2.713	50	30	CFGC	
CC(C)(C)c1ccc(NNC(=O)c2ccno2)cc1	153270	QQEDQAXUJVWRHJ-UHFFFAOYSA-N	259.309	2.729	50	30	CFGC	
COC(=O)[C@H](Br)Cc1ccc(Cl)cc1	20272486	ASEUZAXHZDPWMY-SECBINFHSA-N	277.545	2.819	50	30	CFGC	
CCCC(=O)NNc1ccc(Br)cc1	1854790	STPHYKOKHWXZMH-UHFFFAOYSA-N	257.131	2.692	50	30	CFGC	
CCOC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	669371651	NSLRDTXBNJRJKS-CMPLNLGQSA-N	269.138	2.655	50	30	CFGC	
O=C1[C@@H](Br)CCN1c1ccc(Cl)cc1	68577090	YWAQTQSQFBLYFJ-VIFPVBQESA-N	274.545	2.840	50	30	CFGC	
O=C(CBr)c1cc(F)cc(F)c1F	238599114	PEXKECGOLQXUFE-UHFFFAOYSA-N	253.017	2.682	50	30	CFGC	
BrC[C@@H]1Cn2c(nnc2-c2ccccc2)S1	95942545	ALFGOQIZSNTHCA-SECBINFHSA-N	296.193	2.814	50	30	CFGC	
CC(=O)O[C@](O)(C#N)c1cccc(Oc2ccccc2)c1	60258553	JVQCKDMHSUNKRM-MRXNPFEDSA-N	283.283	2.711	50	30	CFGC	
CCOC(=O)/C(C#N)=C1\CCCc2cc(OC)ccc21	32601245	SVZWBNSHBVLSDP-CCEZHUSRSA-N	271.316	2.872	50	30	CFGC	
CC/C(C)=N/O[Si](C)(OCCOC)O/N=C(\C)CC	195751575	ROOBXASOVJPAFC-PHEQNACWSA-N	290.436	2.823	50	30	CFGC	
COc1cc(C(=O)Cl)c2ccc(F)c(F)c2n1	67172052	IWQOULLTKCOPMU-UHFFFAOYSA-N	257.623	2.901	50	30	CFGC	
CC(C)(C)OC(=O)N1CC=C[C@@H](Br)C1	238146123	KMPZGCZOGMLILR-MRVPVSSYSA-N	262.147	2.557	50	30	CFGC	
COC(=O)c1cccc(N(CCCl)CCCl)c1	2014336	PTUQHLMPEYWOFY-UHFFFAOYSA-N	276.163	2.757	50	30	CFGC	
COC(=O)[C@H](C)c1ccc(CBr)cc1	113921281	OXFCILAOEGBINA-MRVPVSSYSA-N	257.127	2.858	50	30	CFGC	in-vitro
FC(F)(F)[C@@H]1CC[C@@H](CI)O1	642882381	VMEZTVDNPKFRGZ-WHFBIAKZSA-N	280.027	2.531	50	30	CFGC	
CCOC(=O)/C(C#N)=C/Nc1ccc([N+](=O)[O-])cc1Cl	7697659	VIRFIEKKLULPKS-BQYQJAHWSA-N	295.682	2.631	50	30	CFGC	
CCC[C@@H](Br)C(=O)c1ccc(CO)cc1	21994110	AJRUMQHETQGAQL-LLVKDONJSA-N	271.154	2.925	50	30	CFGC	
[C-]#[N+][C@H](c1ccco1)S(=O)(=O)c1ccc(C)cc1	101141110	AOVROUBYOLXDOJ-ZDUSSCGKSA-N	261.302	2.980	50	30	CFGC	
CO[C@@H]1[C@@H](Br)CCCN1C(=O)OC(C)(C)C	238353586	ISVZLPGGGAROET-DTWKUNHWSA-N	294.189	2.753	50	30	CFGC	
Cc1cc(N/C=C(\C#N)C(=O)c2cccs2)no1	3083025	VASYREAZKMWPGI-VQHVLOKHSA-N	259.290	2.747	50	30	CFGC	
C#CC(C)(C)O[Si](C)(OC(C)(C)C#C)OC(C)(C)C#C	195763149	CRJSCSRODDRNDN-UHFFFAOYSA-N	292.451	2.840	50	30	CFGC	
CCNNC(=O)c1ccc(-c2cccc(F)c2F)cc1	2265378665	IZEWXBGCDPTLDQ-UHFFFAOYSA-N	276.286	2.886	50	30	CFGC	
C=CCc1ccc(O[Si](C)(OC)OC)c(OC)c1	198031222	XVWKAJPKSDYKDT-UHFFFAOYSA-N	268.385	2.664	50	30	CFGC	
CC(=O)[C@H](Br)Cc1ccc(F)cc1F	52228059	RQXBZTMMKYICMJ-SECBINFHSA-N	263.081	2.860	50	30	CFGC	in-vitro
CC(C)(C)OC(=O)NC1CC(CBr)C1	675060739	OACMKTWDXOQYRD-UHFFFAOYSA-N	264.163	2.685	50	30	CFGC	
CCOC(=O)c1cccc(F)c1CBr	34331911	HCTSRCSPFWZIGA-UHFFFAOYSA-N	261.090	2.897	50	30	CFGC	
COc1ccc([C@@H]2C(C#N)=C(N)OC(C3CC3)=C2C#N)cc1	165543	BBROCFJAXMUVNV-HNNXBMFYSA-N	293.326	2.691	50	30	CFGC	
CCOC(=O)[C@@H](Br)CCCCCl	100096916	ZHXVCCOSNXYCOF-ZETCQYMHSA-N	257.555	2.722	50	30	CFGC	
O=C1[C@@H](Br)CCCN1Cc1ccccc1	70060862	OASXCKSPMWTYKM-NSHDSACASA-N	268.154	2.573	50	30	CFGC	
COCCCOC1(CBr)CCCC1	50480275	NAVSNWQQZSSUAV-UHFFFAOYSA-N	251.164	2.747	50	30	CFGC	in-vitro
O=C1[C@@H](Br)CCN1c1cccc(Cl)c1	71766361	UGZCVJHTCSFIKL-VIFPVBQESA-N	274.545	2.840	50	30	CFGC	
O=C(NCCCl)c1ccc(Cl)cc1Cl	41043771	WSMPDLPSQZTNRE-UHFFFAOYSA-N	252.528	2.962	50	30	CFGC	
O=C(Nc1cccnc1)Oc1ccc([N+](=O)[O-])cc1	72400366	HVJLMBYELLDOCO-UHFFFAOYSA-N	259.221	2.601	50	30	CFGC	in-vitro
CCOc1ccc(NC(=O)[C@H](Cl)N2CCCC2)cc1	604934903	SIHDRJJOJKWBNV-CYBMUJFWSA-N	282.771	2.685	50	30	CFGC	
C[C@@H](CCI)NC(=O)OC(C)(C)C	225789988	UIMDTLOXOIDRDY-ZETCQYMHSA-N	299.152	2.725	50	30	CFGC	
C[C@H](Br)c1ccc(S(C)(=O)=O)cc1	36894574	YZMVNSSLFDYENG-ZETCQYMHSA-N	263.156	2.546	50	30	CFGC	
OCCCCCCCCI	34239156	QXUBKYIZMFXTEU-UHFFFAOYSA-N	256.127	2.754	50	30	CFGC	
CC(C)[C@@H]1CC[C@@H](C)[C@H](NNC(=O)c2ccncc2)C1	2018786	QKUOTWASBDDXHV-BPLDGKMQSA-N	275.396	2.777	50	30	CFGC	
C[C@H](Br)c1cn(Cc2ccccc2)nn1	134093156	MGQXYCJPLBNASP-VIFPVBQESA-N	266.142	2.782	50	30	CFGC	
CC1(C)C[C@H](CO[Si](C)(C)C(C)(C)C)NC1=O	203648796	DQHNOUXNRYHTJW-SNVBAGLBSA-N	257.450	2.923	50	30	CFGC	
O=C(NNc1c(Cl)cccc1Cl)c1ccno1	153011	PRFODXONPIISRL-UHFFFAOYSA-N	272.091	2.738	50	30	CFGC	
BrCc1sncc1Br	642882244	IRFVYZVIOHQGEY-UHFFFAOYSA-N	256.950	2.801	50	30	CFGC	
FC(F)(F)n1c(Br)cnc1CCl	2265385168	KJWLLNKDHDTVBB-UHFFFAOYSA-N	263.444	2.861	50	30	CFGC	
COC(=O)C1=CC=C(C)[C@]2(OO)Oc3ccccc3[C@]12C	137390202	BPSIWBZUHIFTBR-HZPDHXFCSA-N	288.299	2.582	50	30	CFGC	
CC(=O)[C@H](Br)Cc1ccc(F)c(F)c1F	52228481	SHCZWKXWAAEKFJ-SSDOTTSWSA-N	281.071	2.999	50	30	CFGC	in-vitro
BrC[C@@H]1CCC2(CCC3(CC2)OCCO3)O1	686228252	RFRBBJBJSRLXSS-JTQLQIEISA-N	291.185	2.616	50	30	CFGC	
N#CC(C#N)=C1CC(=O)c2cc(Br)ccc21	2265383729	XVGFFLCIDUAHGV-UHFFFAOYSA-N	273.089	2.836	50	30	CFGC	
O=C=NC(N=C=O)(c1ccccc1)c1ccccc1	59495282	LNWBFIVSTXCJJG-UHFFFAOYSA-N	250.257	2.559	50	30	CFGC	
Br[C@H]1CC[C@@H](Br)[C@H]2CC[C@@H]1O2	139180487	OUPZIIVEHFFXQS-KVFPUHGPSA-N	283.991	2.855	50	30	CFGC	
COc1cc2sc(C)c(C(=O)OO)c2cc1OC	299754843	XWVCQFKFAPVADL-UHFFFAOYSA-N	268.290	2.857	50	30	CFGC	
FC(F)(F)n1cc(Br)nc1CCl	2265385409	UHIFDLMMXLUSFY-UHFFFAOYSA-N	263.444	2.861	50	30	CFGC	
O=C(CBr)c1ccc2ccccc2n1	87224515	RRZSOVOXHBTJJB-UHFFFAOYSA-N	250.095	2.812	50	30	CFGC	
O=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1	12560036	VPFJNVZPSMYAON-UHFFFAOYSA-N	269.344	2.649	50	30	CFGC	
Cc1ccc(N(C)NC(=O)Nc2ccc(Cl)cc2)nn1	92877	AMGBBHOTQJQUGW-UHFFFAOYSA-N	291.742	2.611	50	30	CFGC	
O=C(CBr)[C@@H]1CCOc2ccccc21	87224435	UESLKEITEIKOLL-MRVPVSSYSA-N	255.111	2.517	50	30	CFGC	
CCOC(=O)c1ccc(Cl)nc1CBr	117222052	NIDRUYIBEOHJNF-UHFFFAOYSA-N	278.533	2.807	50	30	CFGC	
O=C(CI)Nc1cccc(Cl)c1	2017919	YMTHBCHAFDYSDS-UHFFFAOYSA-N	295.507	2.714	50	30	CFGC	
O=C(NN=Cc1ccco1)c1sccc1-n1cccc1	254508093	BJIHLEGPUOFDIY-UHFFFAOYSA-N	285.328	2.896	50	30	CFGC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](Br)C2	209862571	XAOAXVAFLZHABO-YIZRAAEISA-N	276.174	2.922	50	30	CFGC	
CC1=C(C#N)C(=CNc2cccc(Cl)c2)CC(=O)N1	2265270051	FLJRKPUYFDDFIN-UHFFFAOYSA-N	273.723	2.953	50	30	CFGC	
CN(C)C=CC(=O)c1ccc(OCCCCl)cc1O	2265269925	PUBDJEOOACQIJD-UHFFFAOYSA-N	283.755	2.658	50	30	CFGC	
BrCc1ncc(Br)s1	117797629	ICSLJIQRUZFXPE-UHFFFAOYSA-N	256.950	2.801	50	30	CFGC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](Br)C2	238165799	XAOAXVAFLZHABO-CIUDSAMLSA-N	276.174	2.922	50	30	CFGC	
IC[C@H]1CCC2(CCC2)O1	307721120	VMYZCPNTCWXXOX-SSDOTTSWSA-N	252.095	2.523	50	30	CFGC	
O=[N+]([O-])c1cccc(CI)c1	5785276	VMRVVTVWRDVDAM-UHFFFAOYSA-N	263.034	2.530	50	30	CFGC	
CNC[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@H]2Br	306870290	SYCGUXQTHQVZSU-ROHXPCBUSA-N	258.203	2.796	50	30	CFGC	
COC(=O)CCCCCCI	145037621	HTIBXQHVKAAGOQ-UHFFFAOYSA-N	270.110	2.545	50	30	CFGC	
BrCOCCCCOCBr	1760990	LHTXHHKJVUNIOQ-UHFFFAOYSA-N	275.968	2.505	50	30	CFGC	
O=C=Nc1ccc(N(CCCl)CCCl)cc1	137573925	GVCBEJVXMXSRQX-UHFFFAOYSA-N	259.136	2.938	50	30	CFGC	
COc1cc(CBr)c([N+](=O)[O-])cc1F	82864466	RAIJKLKGBPHDIV-UHFFFAOYSA-N	264.050	2.637	50	30	CFGC	in-vitro
O=C1[C@@H](Br)CCN1c1ccc(F)c(Cl)c1	82606793	ROLQAFLHRZLDPA-ZETCQYMHSA-N	292.535	2.979	50	30	CFGC	
CCO[Si](CC[C@@H](C)S)(OCC)OCC	195769058	XUGBJJNOIWRRPH-SNVBAGLBSA-N	252.452	2.743	50	30	CFGC	
Br[C@H]1CC1(Br)Br	113364452	VTKNAATZEMZZPA-REOHCLBHSA-N	278.769	2.640	50	30	CFGC	
IC[C@@H]1CC2(CCCC2)CO1	536956861	DAYYMFNWQYTFGQ-QMMMGPOBSA-N	266.122	2.771	50	30	CFGC	
CC1(C)OO[C@]1(C)COC(=O)Oc1ccccc1	100082059	YDTDFUOZISJPHJ-CYBMUJFWSA-N	252.266	2.701	50	30	CFGC	
O=C1[C@H](Br)CCN1c1ccc(F)c(Cl)c1	82606795	ROLQAFLHRZLDPA-SSDOTTSWSA-N	292.535	2.979	50	30	CFGC	
CC(C)S(=O)(=O)c1ccc(CBr)cc1	117595785	KLIADIYQTGCHJS-UHFFFAOYSA-N	277.183	2.764	50	30	CFGC	
CN(CCO[Si](C)(C)C)CCO[Si](C)(C)C	195757118	FAJPYHFAPOGNPE-UHFFFAOYSA-N	263.530	2.621	50	30	CFGC	
O=C(NNc1ccc(F)cc1F)c1ccc(F)cc1F	152312	WLTOIAILEFXQEA-UHFFFAOYSA-N	284.212	3.000	50	30	CFGC	
CC(C)(C)OC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	101740	QBFGYJOTPAHYLE-DHZHZOJOSA-N	274.276	2.843	50	30	CFGC	
O=C1O[C@H](CBr)CN1C1CCCCC1	96949327	BIMDAYKKEYIFRM-SECBINFHSA-N	262.147	2.535	50	30	CFGC	
Cc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2ccccc2)[nH]1	110909	MWRXSPDQJLFJST-NTEUORMPSA-N	286.356	2.970	50	30	CFGC	
COc1cc2c(cc1OC)[C@@H](C)N(C=C(C#N)C#N)CC2	166902	WQFQPTIAOHNRRX-LLVKDONJSA-N	283.331	2.554	50	30	CFGC	
O=C(c1ccccc1)N1CC[C@@H](CBr)C1	87748216	UDHRWUYUCFPWJL-JTQLQIEISA-N	268.154	2.544	50	30	CFGC	
COc1ccc(C2=NO[C@H]([C@H](C)Cl)C2)cc1F	217001488	DFJAFKMBCDAROB-MADCSZMMSA-N	257.692	2.955	50	30	CFGC	
CCOC(=O)[C@H](Br)[C@@H](C)C(F)(F)F	5227572	GNKFSVGWVCDYSV-RFZPGFLSSA-N	263.053	2.511	50	30	CFGC	
Cc1ccc(C(=O)NNc2ncnc3sccc23)cc1	115905	RSTRMAOTQBISML-UHFFFAOYSA-N	284.344	2.757	50	30	CFGC	
CCOC(=O)[C@]1(c2ccccc2)C[C@@H]1Br	669371652	NSLRDTXBNJRJKS-JQWIXIFHSA-N	269.138	2.655	50	30	CFGC	
CCOC(=O)[C@H](Br)[C@H](C)C(F)(F)F	5227583	GNKFSVGWVCDYSV-CRCLSJGQSA-N	263.053	2.511	50	30	CFGC	
O=[N+]([O-])c1cc(CN(CCCl)CCCl)ccc1O	95719627	VLLOLMOZUYRXHC-UHFFFAOYSA-N	293.150	2.580	50	30	CFGC	
CC(=O)NNC(=O)Cc1sc2ccc(Cl)cc2c1C	172327	BORIMXXUXCMJDB-UHFFFAOYSA-N	296.779	2.573	50	30	CFGC	
O=C(CBr)[C@H]1CCOc2ccccc21	87224437	UESLKEITEIKOLL-QMMMGPOBSA-N	255.111	2.517	50	30	CFGC	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CBr)C1	584880308	OACMKTWDXOQYRD-OCAPTIKFSA-N	264.163	2.685	50	30	CFGC	
Cc1ccc2nc(C)c(C(=O)CBr)n2c1	238533943	TZUHXIJLFDLSIY-UHFFFAOYSA-N	267.126	2.529	50	30	CFGC	
CCOC(=O)[C@@]1(c2ccccc2)C[C@H]1Br	669371654	NSLRDTXBNJRJKS-ZYHUDNBSSA-N	269.138	2.655	50	30	CFGC	
C[C@@H](Cl)[C@H]1CC(c2ccc3c(c2)CCO3)=NO1	217000967	GNJJORJYEKMYEJ-AMIZOPFISA-N	251.713	2.742	50	30	CFGC	
N#CC1=C(N)OC(c2ccco2)=C(C#N)[C@H]1c1ccco1	138920	WCGXMZRVGHHTOT-CYBMUJFWSA-N	279.255	2.615	50	30	CFGC	
CSC(=S)NNC(=O)c1ccc(C(F)(F)F)cc1	5640970	AOHVMMAFLRDNPT-UHFFFAOYSA-N	294.323	2.588	50	30	CFGC	
CC(C)C(=O)NNc1ncc(C(F)(F)F)cc1Cl	77902	LEZVKPBMDRMVIG-UHFFFAOYSA-N	281.665	2.853	50	30	CFGC	
Cc1nnsc1C(=O)NNc1ccc(C(C)C)cc1	147723	UXEJQCINNVLPTQ-UHFFFAOYSA-N	276.365	2.727	50	30	CFGC	
CC(C)C[C@H](/N=C(/O)CCl)C(=O)OC(C)(C)C	328579640	UJLBUSWWABLMPG-VIFPVBQESA-N	263.765	2.938	50	30	CFGC	
CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	195772101	FPLJIDNLONPGBI-JTQLQIEISA-N	261.514	2.958	50	30	CFGC	
O=C(N/N=C1/CCCc2occc21)c1ccc([N+](=O)[O-])cc1	4366460	NVXVNSZBWGMKSW-SSZFMOIBSA-N	299.286	2.658	50	30	CFGC	
FC(F)(F)[C@H]1CC[C@@H](CI)O1	642882373	VMEZTVDNPKFRGZ-CRCLSJGQSA-N	280.027	2.531	50	30	CFGC	
O=C1[C@H](Br)CCN1c1ccc(Cl)cc1	68577092	YWAQTQSQFBLYFJ-SECBINFHSA-N	274.545	2.840	50	30	CFGC	
CS[C@@H]1NC(=O)[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C	196317273	FUAKCPWOVKGAFN-QXEWZRGKSA-N	275.490	2.832	50	30	CFGC	
FC(F)(F)C1CC(I)C1	2265360037	QJIWUYXPNJYABU-UHFFFAOYSA-N	250.001	2.762	50	30	CFGC	
Cn1cc(C(=O)CBr)c2ccccc21	36903554	CDJRALKVAHFNMJ-UHFFFAOYSA-N	252.111	2.756	50	30	CFGC	
CC(C)CCC[C@H](C)CCOc1ccc(B(O)O)cc1	196843225	GVOMHDGKWIWKBD-AWEZNQCLSA-N	278.201	2.598	50	30	CFGC	
CC(C)S(=O)(=O)/C(C#N)=C/Nc1ccc(Cl)cc1	125337	MJEPGJGSFYYKMR-XYOKQWHBSA-N	284.768	2.940	50	30	CFGC	
O=C(Br)c1cccc(Br)c1	1845953	PFABNMHNELCDLT-UHFFFAOYSA-N	263.916	2.984	50	30	CFGC	
O=C(CBr)c1ccc(Br)o1	38548889	WTFKIDCAQZPAHP-UHFFFAOYSA-N	267.904	2.620	50	30	CFGC	
CC(C)(C)[Si](OCCN)(c1ccccc1)c1ccccc1	195830831	IVJSFXWUGVWHLT-UHFFFAOYSA-N	299.490	2.522	50	30	CFGC	
COC(=O)[C@@H](C)c1ccc(CBr)cc1	113921279	OXFCILAOEGBINA-QMMMGPOBSA-N	257.127	2.858	50	30	CFGC	in-vitro
O=C(NNc1cc(Cl)ccc1Cl)c1ccno1	146779	QRDSVEMXPVSSRC-UHFFFAOYSA-N	272.091	2.738	50	30	CFGC	
CC(C)(C)[Si](C)(C)OCCC1=C[C@@H](O)[C@@H](O)CC1	2265351868	LHJFWKBMNHJFGE-QWHCGFSZSA-N	272.461	2.840	50	30	CFGC	
CC(C)CCC[C@H](C)CCOc1cccc(B(O)O)c1	196843348	XCGZTXOKLYKMJC-AWEZNQCLSA-N	278.201	2.598	50	30	CFGC	
CC(=O)[C@@H](Br)Cc1c(F)cccc1F	52229248	BUYURKBUFBYEIL-QMMMGPOBSA-N	263.081	2.860	50	30	CFGC	in-vitro
CC(C)[C@@H](CBr)NC(=O)OC(C)(C)C	125842541	MGTUVIJGSSSBTN-MRVPVSSYSA-N	266.179	2.931	50	30	CFGC	
Cn1cc(CBr)c(-c2ccccc2)n1	2548466	FDJNSAWCLMMJHO-UHFFFAOYSA-N	251.127	2.982	50	30	CFGC	
CSc1sc(C(=O)NN)cc1-c1nc(C)cs1	125803	XYJBLKVRUJHFGA-UHFFFAOYSA-N	285.419	2.505	50	30	CFGC	
O=C1[C@H](Br)CCN1c1ccc(Cl)c(F)c1	82608065	NTVZXXGNHBUOJV-SSDOTTSWSA-N	292.535	2.979	50	30	CFGC	in-vitro
Cn1nccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	116194	MDUUDLPGUJAJSV-YRNVUSSQSA-N	286.722	2.619	50	30	CFGC	
CC1(C)OO[C@@]1(C)COC(=O)Oc1ccccc1	100082065	YDTDFUOZISJPHJ-ZDUSSCGKSA-N	252.266	2.701	50	30	CFGC	
Cc1ccc(NN=C2C(=O)OC(=O)c3ccccc32)cc1	725436585	PDGWOEBPJVPKHR-UHFFFAOYSA-N	280.283	2.508	50	30	CFGC	
COOC(=O)c1csc2cc(OC)c(OC)cc12	141802311	PGSWHMVFPRKVTH-UHFFFAOYSA-N	268.290	2.637	50	30	CFGC	
O=C1[C@H](Br)CCCN1c1ccc(F)c(F)c1	70060703	XVSCTBQBDDZROG-MRVPVSSYSA-N	290.107	2.855	50	30	CFGC	
O=C(O)c1ncc(C(F)(F)F)cc1CBr	238707240	TTWAOHHXMVOLNE-UHFFFAOYSA-N	284.031	2.694	50	30	CFGC	
C[C@@](Br)(CCl)CBr	95679225	DPDUMUDRFCRZGY-BYPYZUCNSA-N	250.361	2.774	50	30	CFGC	
CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)CCCl	71254543	HYQLUBITXSSPQS-LBPRGKRZSA-N	258.749	2.909	50	30	CFGC	
O=C(CBr)c1cnc(Cl)c(Cl)c1	146195012	KJVLJNJDAHBMGP-UHFFFAOYSA-N	268.925	2.966	50	30	CFGC	
O[C@H](CCI)c1cccs1	59448459	KRZSQNQECJUPRL-ZCFIWIBFSA-N	268.119	2.607	50	30	CFGC	
IC[C@@H]1C[C@H]2CCCC[C@H]2O1	306400721	BEGLGHHJJMBSRC-HRDYMLBCSA-N	266.122	2.769	50	30	CFGC	
Cc1ccc2c(c1)[P@](=O)(O)c1cccc(C)c1O2	137474100	NLVPATOFJPLHGH-UHFFFAOYSA-N	260.229	2.630	50	30	CFGC	
CCO[Si](=O)OC(C)([Si](C)(C)C)[Si](C)(C)C	223493192	YDMREKXJQUGYQQ-UHFFFAOYSA-N	278.573	2.968	50	30	CFGC	
CCO/C(C)=N\NC(=O)c1cc(N=[N+]=[N-])ccc1[N+](=O)[O-]	223590796	HHOAWLGTQWKRAX-QPEQYQDCSA-N	292.255	2.636	50	30	CFGC	
CCC[C@H](Br)C(=O)c1ccc(CO)cc1	21994113	AJRUMQHETQGAQL-NSHDSACASA-N	271.154	2.925	50	30	CFGC	
CO[C@@H]1[C@H](Br)CCCN1C(=O)OC(C)(C)C	238357778	ISVZLPGGGAROET-RKDXNWHRSA-N	294.189	2.753	50	30	CFGC	
C[C@H](c1ccc(F)cc1)N1CC[C@H](Br)C1=O	82607630	ZJANZAHNNZICIN-KCJUWKMLSA-N	286.144	2.883	50	30	CFGC	in-vitro
O=C(CBr)c1nccc2ccccc12	82730678	NANYLNYMOOKXSH-UHFFFAOYSA-N	250.095	2.812	50	30	CFGC	
BrCCc1ccnc(Br)c1	687827996	VPRDOVNZORAWDV-UHFFFAOYSA-N	264.948	2.782	50	30	CFGC	
CC(C)(C)S(=O)(=O)/C(C#N)=C/c1ccsc1	96323	WSWIYVWPIWPFPS-UXBLZVDNSA-N	255.364	2.826	50	30	CFGC	
CN(C)C(C=CNc1ccccc1F)=C(C#N)C#N	2265279383	MZOYBKJVQUGYFZ-UHFFFAOYSA-N	256.284	2.614	50	30	CFGC	
C[C@H](CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C	111403679	VEOMCUUTIYXSLV-SECBINFHSA-N	276.329	2.559	50	30	CFGC	
Cc1ccccc1N1CCC[C@@H](Br)C1=O	70060809	WCIGZSDAMPQQCL-SNVBAGLBSA-N	268.154	2.885	50	30	CFGC	
N#C/C(=C\c1cccnc1)C(=O)OCc1ccccc1	98974	BJZYQDBNRMAWKB-OQLLNIDSSA-N	264.284	2.732	50	30	CFGC	
CCN(CC)C(=S)SSC(=S)N(C)C	585138997	QNNGULMAPLOXDA-UHFFFAOYSA-N	268.498	2.841	50	30	CFGC	
CC1(C)COC(CCCI)OC1	95931572	BYRUDXTUKOCUCQ-UHFFFAOYSA-N	284.137	2.601	50	30	CFGC	
CCOc1ccc(NC(=O)[C@@H](Cl)N2CCCC2)cc1	604934908	SIHDRJJOJKWBNV-ZDUSSCGKSA-N	282.771	2.685	50	30	CFGC	
Fc1cc(Br)cc(CNCCCl)c1	86697089	UQODCURPPZYLBB-UHFFFAOYSA-N	266.541	2.917	50	30	CFGC	
COc1ccc(OC)c(C(=O)[C@@H](C)Br)c1	36903461	ABONBTQFMVFJQQ-SSDOTTSWSA-N	273.126	2.670	50	30	CFGC	
O=c1oc(CBr)c(-c2ccccc2)o1	34565177	PVDNUJWCLUDTSE-UHFFFAOYSA-N	255.067	2.795	50	30	CFGC	
CN(C)C(CC=NOCc1ccc(F)cc1)=C(C#N)C#N	254382586	FHLCVOZUODHQBT-UHFFFAOYSA-N	286.310	2.581	50	30	CFGC	
COc1ccccc1N1CCC[C@H](Br)C1=O	68575101	VBCFZNURRJDAGC-VIFPVBQESA-N	284.153	2.586	50	30	CFGC	in-vitro
C[C@](Br)(CCl)CBr	95679226	DPDUMUDRFCRZGY-SCSAIBSYSA-N	250.361	2.774	50	30	CFGC	
CCOC(=O)/C(C#N)=C/Nc1cc(C)c(O)c(Cl)c1	90756	UUVLOQLAAPBQAL-VQHVLOKHSA-N	280.711	2.737	50	30	CFGC	
CC(C)(C)C(=O)N1CCC[C@@H](CBr)C1	19783824	SMAYVAMSOFARES-VIFPVBQESA-N	262.191	2.666	50	30	CFGC	
O=C(c1ccccc1)N1CC[C@H](CBr)C1	87748213	UDHRWUYUCFPWJL-SNVBAGLBSA-N	268.154	2.544	50	30	CFGC	
CCOC(=O)/C(C#N)=C/N1CCC[C@@H]1c1cccs1	141908	UKLNLYQKFHBEBJ-HCRIHEDKSA-N	276.361	2.856	50	30	CFGC	
COC(=O)[C@@H](Br)c1ccc(F)c(F)c1	98131244	UTXQGMIDBWDOCU-QMMMGPOBSA-N	265.053	2.574	50	30	CFGC