smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cccc(OC)c1OCCCCBr	36949664	LOCKSTAKHWMOLZ-UHFFFAOYSA-N	289.169	3.258	50	30	CGGC	
CCC[C@@H](Br)C(=O)c1ccc(OC)cc1	21994150	RTILIJSYRVLPFX-LLVKDONJSA-N	271.154	3.442	50	30	CGGC	
CC(C)(C)OC(=O)N1CCCC[C@H]1CBr	35322996	BTJNROBVHDMNFZ-VIFPVBQESA-N	278.190	3.171	50	30	CGGC	
O=C1c2ccccc2[C@@H](Br)[C@H]1Br	196306738	DKFIODDWNZLRCT-HTQZYQBOSA-N	289.954	3.082	50	30	CGGC	
O=[N+]([O-])c1cccc(CCl)c1Br	228807674	VLKYVNQTZDFLKW-UHFFFAOYSA-N	250.479	3.096	50	30	CGGC	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)no1	153265	QEROLLMQRCMNQM-UHFFFAOYSA-N	273.336	3.037	50	30	CGGC	
O=C(O)c1ccc(CBr)c(Br)c1	35941098	YSSRVMCYUYPKNT-UHFFFAOYSA-N	293.942	3.042	50	30	CGGC	
CCOc1ccc(C2=NO[C@@H]([C@H](C)Cl)C2)cc1	217005408	XWCJQDHHOICXIM-TVQRCGJNSA-N	253.729	3.206	50	30	CGGC	
COC(=O)c1cc(Cl)c(OC)cc1CBr	98177813	HESYIEDDICFDIU-UHFFFAOYSA-N	293.544	3.030	50	30	CGGC	
Cc1ccc(NNC(=O)c2ccc(F)cc2F)cc1C	151828	SPTINKGVJIWEAV-UHFFFAOYSA-N	276.286	3.339	50	30	CGGC	
CCOC(=O)[C@@H](Cl)c1ccc(Br)cc1F	50978686	FMNGZOYGXDOZJW-VIFPVBQESA-N	295.535	3.431	50	30	CGGC	in-vitro
Cc1cccc(NNC(=O)CCc2ccccc2)c1	151805	BOFLRXNBPNSAST-UHFFFAOYSA-N	254.333	3.071	50	30	CGGC	
C[C@H]1C[C@H](NC(=O)/C(C#N)=C/c2ccc[nH]2)CC(C)(C)C1	137301	REZILLLCWFFIJX-JAXAELSRSA-N	285.391	3.253	50	30	CGGC	
COC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1	254855622	ZQMXGUXUENZYOA-UHFFFAOYSA-N	261.108	3.073	50	30	CGGC	
O=C(Cl)c1cnc(-c2cc3cc4c(cc3o2)OCO4)o1	96347030	NFWMHESKKCXUTH-UHFFFAOYSA-N	291.646	3.196	50	30	CGGC	
Cc1ccc(O)c(SSc2nc(C)ccc2O)n1	96328287	RGTILWADTKSRPM-UHFFFAOYSA-N	280.374	3.304	50	30	CGGC	
Cc1cc(Br)c2nc(CCl)cn2c1	38247409	KFBJSJRPHMGWNC-UHFFFAOYSA-N	259.534	3.144	50	30	CGGC	
N#CC(C#N)=Cc1c(-c2ccccc2)nc2n1CCS2	108925	OFRGDAMFLKLBHN-UHFFFAOYSA-N	278.340	3.086	50	30	CGGC	
C/C(=C\CI)[Si](C)(C)C	196618056	NWNYZMZBMPWCQQ-FNORWQNLSA-N	254.187	3.245	50	30	CGGC	
O=C(NN=Cc1cccs1)c1ccccc1-n1cccc1	254868175	NHCYTOCOOFBVJY-UHFFFAOYSA-N	295.367	3.303	50	30	CGGC	
COc1ccc(C(=O)[C@H](C)Br)cc1Cl	36903536	XXGTZRPNCKOTRR-LURJTMIESA-N	277.545	3.315	50	30	CGGC	in-vitro
Cc1ccccc1C(=O)C(F)(F)CBr	1535543412	JWXBNSUGOMYMEJ-UHFFFAOYSA-N	263.081	3.208	50	30	CGGC	
C[C@H]1C[C@@H](CBr)CN1C(=O)OC(C)(C)C	238497141	MTLMMRXZIDTIAX-IUCAKERBSA-N	278.190	3.027	50	30	CGGC	
ClCc1nc(Cl)c2[nH]cc(Br)c2n1	2265365049	LVEFKYLDPUNNMM-UHFFFAOYSA-N	280.940	3.113	50	30	CGGC	
CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)CCCl	71250819	FEEDIFKYUSSXSF-ZDUSSCGKSA-N	272.776	3.299	50	30	CGGC	
O=C(NNc1ccc(Cl)cc1)c1cccs1	152304	KMYIMQWOOQCDCX-UHFFFAOYSA-N	252.726	3.158	50	30	CGGC	
C[C@@H]1C[C@H](Br)CN(C(=O)OC(C)(C)C)C1	306934819	GRHDGXGLBKWEQF-BDAKNGLRSA-N	278.190	3.027	50	30	CGGC	
CCCCCCCCOC(=O)[C@H](Cl)C(=O)CCl	103832029	LQJAFKFQGKZOLK-LLVKDONJSA-N	283.195	3.305	50	30	CGGC	
O=C(NNc1c(Cl)cncc1Cl)c1cccs1	146808	WLDHXCPXOPZWNK-UHFFFAOYSA-N	288.159	3.207	50	30	CGGC	
Cc1cc(Cl)ccc1NNC(=O)c1c(C)noc1C	147505	PJCBGTKKHQMAHX-UHFFFAOYSA-N	279.727	3.010	50	30	CGGC	
ClCc1csc(NN=Cc2cccs2)n1	389371222	XTLRDYSHESABLK-UHFFFAOYSA-N	257.771	3.389	50	30	CGGC	
O=C(NNc1cc(Cl)ccc1Cl)C1CCC1	146781	OVGVVZVUNFUXLA-UHFFFAOYSA-N	259.136	3.237	50	30	CGGC	
CC(C)NC(=O)NNc1c(Cl)cccc1Cl	115238	ITMZANIETNZPCI-UHFFFAOYSA-N	262.140	3.028	50	30	CGGC	
C[C@H](Br)C(=O)C1(c2ccccc2)CC1	238854536	OGHIKZZIKLEPHX-VIFPVBQESA-N	253.139	3.071	50	30	CGGC	
CCc1ccc(C(=O)NNc2ccc(OC)cc2)cc1	148311	AWMXQOXIRSFUKB-UHFFFAOYSA-N	270.332	3.015	50	30	CGGC	
C[C@H](CN(C)C[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C	195757181	VOUUUAOWACSAOJ-CHWSQXEVSA-N	291.584	3.398	50	30	CGGC	
CS/C(Nc1cccnc1)=C(/C#N)c1ccccn1	12367842	MDIAEBHZQHEIJN-OWBHPGMISA-N	268.345	3.144	50	30	CGGC	
CC(=O)[C@@H](Br)Cc1ccc(Cl)cc1F	52228962	YEJTTYZBANPNIU-VIFPVBQESA-N	279.536	3.374	50	30	CGGC	in-vitro
BrCc1noc2cc(Br)ccc12	202995653	XRSLGVBSVYEZKL-UHFFFAOYSA-N	290.942	3.485	50	30	CGGC	
Fc1ccc(Br)c(OCCBr)c1	75914051	YZWIZGIISSMERS-UHFFFAOYSA-N	297.949	3.362	50	30	CGGC	
C[C@@H](Cl)[C@H]1CC(c2cc(F)c(F)cc2F)=NO1	235136279	WHNFUBXKMLVGQS-BLTYZCFWSA-N	263.646	3.224	50	30	CGGC	
CCO[Si]1(OCC)CCCc2ccccc2O1	195766263	LRRFYEVAVAPJFU-UHFFFAOYSA-N	252.386	3.024	50	30	CGGC	
O=C(NN=Cc1cccs1)c1ccc2ncccc2c1	254488032	ZQNNFTJMHQQJCZ-UHFFFAOYSA-N	281.340	3.060	50	30	CGGC	
COc1ccc(CBr)cc1CBr	138093282	UAQSNCKYBZZMKE-UHFFFAOYSA-N	293.986	3.485	50	30	CGGC	
Cc1nc(CBr)ccc1Br	34292589	OFPRPYBSUNQJRI-UHFFFAOYSA-N	264.948	3.047	50	30	CGGC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2	238166009	XFFUNCVPXHCZJI-UTLUCORTSA-N	290.201	3.169	50	30	CGGC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CBr	238154972	XFFUNCVPXHCZJI-BBBLOLIVSA-N	290.201	3.169	50	30	CGGC	
Br[C@@H]1CCCCC[C@H]1Br	100065260	PQKOJNVKGNOTKZ-RNFRBKRXSA-N	255.981	3.478	50	30	CGGC	
CN(C)c1ccc(/C=C(\C#N)C(=O)OC(C)(C)C)cc1	101067	ATYKGOWJOOUMDX-JLHYYAGUSA-N	272.348	3.001	50	30	CGGC	
NNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2	107610	DCGQQIIOAKCWOK-UHFFFAOYSA-N	296.804	3.278	50	30	CGGC	
N#C/C(=C\N1CCc2ccccc2C1)C(=O)c1cccs1	33384653	CCGZKJFCIBLPOI-NTCAYCPXSA-N	294.379	3.397	50	30	CGGC	
ClCc1nc(Cl)c(CBr)c(Cl)n1	1689126	GMLRWNMXARYBIJ-UHFFFAOYSA-N	290.375	3.417	50	30	CGGC	
N#CC1=C(N)OC(C2CC2)=C(C#N)[C@H]1c1ccccc1Cl	165540	PLSZNMBZVNJBHT-CQSZACIVSA-N	297.745	3.335	50	30	CGGC	
C[C@@]1(CI)CC1(Cl)Cl	59213602	VHQHPMCSMTVXCE-BYPYZUCNSA-N	264.921	3.005	50	30	CGGC	
CCc1cccc(CC)c1NC(=O)NCCCl	1714187	OINDQNQEWUMFMS-UHFFFAOYSA-N	254.761	3.172	50	30	CGGC	
O=C1c2ccccc2[C@H](Br)[C@@H]1Br	196306721	DKFIODDWNZLRCT-YUMQZZPRSA-N	289.954	3.082	50	30	CGGC	
COOC(=O)c1cc(OC)cc(-c2ccccc2)c1	604934829	UYGAIPSWUWHRJV-UHFFFAOYSA-N	258.273	3.080	50	30	CGGC	
COC(=O)[C@@H](Br)c1ccccc1C(F)(F)F	95347980	BRBOEALBFMVDME-QMMMGPOBSA-N	297.070	3.314	50	30	CGGC	
COc1ccc(C2=NO[C@H]([C@H](C)Cl)C2)cc1Cl	217001642	ZPHHBYXZJJXEJW-MADCSZMMSA-N	274.147	3.469	50	30	CGGC	
CC(C)(C)OOC(=O)c1cc(-c2ccccc2)on1	139776781	BJFWUSZVTJOZGA-UHFFFAOYSA-N	261.277	3.229	50	30	CGGC	
CC(C)(C)OC(=O)N1CCC(C#N)(CCCl)CC1	309956642	SNGPMKAJVSMTPA-UHFFFAOYSA-N	272.776	3.156	50	30	CGGC	
CC(C)[C@H](Br)c1ccc(C(=O)O)cc1	72233094	OOPJCYJQSDULQJ-JTQLQIEISA-N	257.127	3.477	50	30	CGGC	
C[C@@H]1C[C@@H](NC(=O)/C(C#N)=C/c2ccc[nH]2)CC(C)(C)C1	4322214	REZILLLCWFFIJX-PUWKQBKRSA-N	285.391	3.253	50	30	CGGC	
N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)O	139176	PMIKNEGMLBBKPZ-CSKARUKUSA-N	272.691	3.122	50	30	CGGC	
COc1cccc(C(=O)C(C#N)=C(SC)SC)c1	166073	FDWJVAMEZPQFCN-UHFFFAOYSA-N	279.386	3.339	50	30	CGGC	
C[C@@H](CN(C)C[C@H](C)O[Si](C)(C)C)O[Si](C)(C)C	195757183	VOUUUAOWACSAOJ-STQMWFEESA-N	291.584	3.398	50	30	CGGC	
CC(=O)[C@H](Br)c1ccccc1Br	258600938	OEYYUPATHDKOPH-VIFPVBQESA-N	291.970	3.474	50	30	CGGC	
Fc1ccc(C(Br)Br)nc1	100231989	MQXKPSDPUKARHD-UHFFFAOYSA-N	268.911	3.009	50	30	CGGC	in-vitro
O=[N+]([O-])c1cc(Br)cc(CCl)c1	95755787	SGYFIWQEWNTISS-UHFFFAOYSA-N	250.479	3.096	50	30	CGGC	
C[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	195782031	GRKPITUYBIOOJQ-SNVBAGLBSA-N	290.508	3.159	50	30	CGGC	
Cc1nc(CBr)sc1Br	238517642	PEPKIJGZITXLNW-UHFFFAOYSA-N	270.977	3.109	50	30	CGGC	
O=Cc1cccc(P(c2ccccc2)c2ccccc2)c1	97950130	CMEOFSWKFYCLDJ-UHFFFAOYSA-N	290.302	3.257	50	30	CGGC	
O=C(CCCCBr)OC1CCCCC1	32226619	ADMMCXQWDYYTHB-UHFFFAOYSA-N	263.175	3.428	50	30	CGGC	
CC(C)C[C@H](Br)C(=O)OC(C)(C)C	135813004	GUEMBXJPCMQKJW-QMMMGPOBSA-N	251.164	3.138	50	30	CGGC	
O=C(c1ccc(Cl)cc1)[C@H](F)Br	689657953	HJPGDTSWDHCNSM-QMMMGPOBSA-N	251.482	3.213	50	30	CGGC	
Cc1c(CBr)cc(Cl)cc1[N+](=O)[O-]	306616825	PQXROBHVAJJYKG-UHFFFAOYSA-N	264.506	3.452	50	30	CGGC	
Cc1ccc2cc(CCBr)ccc2n1	88102031	XUAMCBGAOJJINH-UHFFFAOYSA-N	250.139	3.481	50	30	CGGC	
FC(F)Oc1ccccc1CCBr	82955113	CJVDIDOSYWCATQ-UHFFFAOYSA-N	251.070	3.225	50	30	CGGC	
COC1CCC([C@](C)(C#N)O[Si](C)(C)C)CC1	253388084	BDOKHQKAZQPXNZ-BPCQOVAHSA-N	255.434	3.325	50	30	CGGC	
Cc1cc(/C=C/C#N)cc(C)c1B1OC(C)(C)C(C)(C)O1	396095055	JWPJVZUUYMDDAP-BQYQJAHWSA-N	283.180	3.139	50	30	CGGC	
CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Br	307714977	FDFLFTMASLHQBM-BDAKNGLRSA-N	278.190	3.027	50	30	CGGC	
C[C@@H]1[C@H](C[C@@H]2CCCC[C@@H]2N=C=O)CCC[C@H]1N=C=O	267327312	KDAXAQDZNIOWKC-CWVYHPPDSA-N	276.380	3.412	50	30	CGGC	
O=[N+]([O-])c1cccc(Br)c1CCl	82864439	XHCYYUGJHZYUCG-UHFFFAOYSA-N	250.479	3.096	50	30	CGGC	
IC[C@@H]1CC2(CCCCC2)CO1	536957780	KIMYQYDFIKXIHE-VIFPVBQESA-N	280.149	3.161	50	30	CGGC	
COc1ccc(/C=C(\C#N)c2ccc(O)cc2)cc1OC	92446	WLKVXGJKPKMEKO-NTEUORMPSA-N	281.311	3.474	50	30	CGGC	
Cc1ccc(NNC(=O)CCc2ccccc2)c(C)c1	151504	HHUBIQGOFQFVIN-UHFFFAOYSA-N	268.360	3.379	50	30	CGGC	
COc1ccc(-c2nc(CCl)co2)c(OC)c1	37933906	YCWDPLNXEJLQKN-UHFFFAOYSA-N	253.685	3.098	50	30	CGGC	
Fc1ccccc1CN(CCCl)CCCl	95832239	OOQOTNZRNMFHBC-UHFFFAOYSA-N	250.144	3.105	50	30	CGGC	
O=c1oc2ccc(Cl)cc2n1CC=CCCl	2265228141	NIQOWRSTPLWVCW-UHFFFAOYSA-N	258.104	3.043	50	30	CGGC	
N#C/C(=C\N1CCc2ccccc21)C(=O)c1ccccc1	149484	HRJXRVZLNBWHKD-DTQAZKPQSA-N	274.323	3.339	50	30	CGGC	
CC(C)c1cccc(OC(=O)N(C)C(=O)CCl)c1	38438509	UVZMHVUPTWDYIF-UHFFFAOYSA-N	269.728	3.006	50	30	CGGC	
C[C@H]1CCCC[C@]1(O)OOC1(COO)CCCCC1	238790826	AMQMXNLFUZNMCT-JSGCOSHPSA-N	274.357	3.026	50	30	CGGC	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)C(=O)C1CC1	100219130	JQKGDRSOQJSGTF-VQHVLOKHSA-N	264.687	3.278	50	30	CGGC	
O=C(NNc1cccc(Cl)c1)C1CCCCC1	152136	JJXLOUUHJTWKLK-UHFFFAOYSA-N	252.745	3.363	50	30	CGGC	
COC(=O)c1cccc(CBr)c1Cl	117652887	FMIQVNNVKYWPIH-UHFFFAOYSA-N	263.518	3.022	50	30	CGGC	
Cc1cnc(Br)c(CBr)c1	238495399	AIQJJRMDPJPNTA-UHFFFAOYSA-N	264.948	3.047	50	30	CGGC	
COC(=O)c1sc(CCl)c(CCl)c1C	100313357	TVOSSQPGLCEQRX-UHFFFAOYSA-N	253.150	3.321	50	30	CGGC	
Cc1ccc(NNC(=O)c2c(C)noc2C)cc1Cl	147457	OYCFXLRURGTPEJ-UHFFFAOYSA-N	279.727	3.010	50	30	CGGC	
CCc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	152972	PSYSYTPDDWFSGK-UHFFFAOYSA-N	276.286	3.284	50	30	CGGC	
COC(=O)NN=C(C)c1ccc(-c2ccccc2)cc1	4013144	RLCCCWBOFQKEAA-UHFFFAOYSA-N	268.316	3.434	50	30	CGGC	
CC(C)(C)OC(=O)N1CC[C@](C)(CBr)C1	306596259	MEYJFBPZHPIMMO-LLVKDONJSA-N	278.190	3.028	50	30	CGGC	
Cc1cc(Cl)ccc1NNC(=O)c1cccs1	147512	OPBJPFYGPTWHOJ-UHFFFAOYSA-N	266.753	3.467	50	30	CGGC	
N#CC1=C(N)OC(C2CC2)=C(C#N)[C@@H]1c1ccccc1Cl	165536	PLSZNMBZVNJBHT-AWEZNQCLSA-N	297.745	3.335	50	30	CGGC	
BrCc1cc(Br)c2c(c1)OCO2	36379679	DDASRZHCCCVBJJ-UHFFFAOYSA-N	293.942	3.073	50	30	CGGC	
CCCCCOP(=O)(OOCC)OOCC	223455047	MJWZASWRAGMQRG-UHFFFAOYSA-N	256.235	3.238	50	30	CGGC	
N#Cc1ccc(OP(=O)(c2ccco2)c2ccco2)cc1	111464889	XDZDKBDNHAKMBZ-UHFFFAOYSA-N	299.222	3.052	50	30	CGGC	
O=C(CBr)c1cccc(OCC2CC2)c1	73711347	MFMDFEPMAABNLC-UHFFFAOYSA-N	269.138	3.053	50	30	CGGC	
O=C(CCc1ccccc1)NNc1ccc(F)cc1F	152970	ALMNDUYMGDTQJX-UHFFFAOYSA-N	276.286	3.041	50	30	CGGC	
Cc1ccc(NNC(=O)CCc2ccccc2)cc1C	151841	OEYYOWAEFUICDJ-UHFFFAOYSA-N	268.360	3.379	50	30	CGGC	
O=C(Cl)CCc1cccc(Br)c1F	75902183	ZBWNKUYEHWJKMN-UHFFFAOYSA-N	265.509	3.286	50	30	CGGC	
CSC(Sc1cccc([N+](=O)[O-])c1)=C(C#N)C#N	15444235	KBIVOPPYFLQXET-UHFFFAOYSA-N	277.330	3.309	50	30	CGGC	
ClC1(Cl)C[C@H]1CCI	307612559	KQRPXBHTEAPOBJ-SCSAIBSYSA-N	264.921	3.005	50	30	CGGC	
CC(C)OC(=O)c1ccccc1CBr	196467870	MKAZFGLFYSYQAD-UHFFFAOYSA-N	257.127	3.147	50	30	CGGC	
COCc1cccc(OCC2(CBr)CC2)c1	83175012	IXYNOSBWPWFXSV-UHFFFAOYSA-N	285.181	3.387	50	30	CGGC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2	208335960	XFFUNCVPXHCZJI-GUBZILKMSA-N	290.201	3.169	50	30	CGGC	
COc1ccc2nc(CBr)sc2c1	34398558	JMKZMQFJJMIETE-UHFFFAOYSA-N	258.140	3.200	50	30	CGGC	in-vitro
C[C@@H]1CC[C@H](N=C=O)C[C@@H]1C[C@H]1CCCC[C@H]1N=C=O	267324780	CCDZNBDQBSSRAO-RBGFHDKUSA-N	276.380	3.412	50	30	CGGC	
C[C@@H](CN(C)C[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C	195757179	VOUUUAOWACSAOJ-BETUJISGSA-N	291.584	3.398	50	30	CGGC	
COC(=O)c1cccc(-c2nc(CCl)cs2)c1	71373485	YCCFIKOHZRMYER-UHFFFAOYSA-N	267.737	3.336	50	30	CGGC	
N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)C(=O)C1CC1	2151487	CPOXPVCAJPVWRN-CSKARUKUSA-N	296.248	3.384	50	30	CGGC	
N#CC1=C(N)C(C#N)(C#N)C2(CCCCC2)[C@H]2CCCC=C12	20223339	ZZCHYXQOJIZKSX-HNNXBMFYSA-N	292.386	3.447	50	30	CGGC	
CC(C)(C)c1nc(C(=O)CBr)cs1	306521727	GOXNDQHKXCEYAE-UHFFFAOYSA-N	262.172	3.018	50	30	CGGC	
Cc1cc(Br)c(F)c(C(=O)Cl)c1	75914885	HHWSLVGBHIQKAW-UHFFFAOYSA-N	251.482	3.276	50	30	CGGC	
FC(F)(F)Oc1ccc(OCCBr)cc1	34121514	QESONWISJWXHAA-UHFFFAOYSA-N	285.059	3.359	50	30	CGGC	
Cc1ccc(F)c(N2CCC[C@@H](Br)C2=O)c1	68575123	TYKMGVFUASTQFC-SECBINFHSA-N	286.144	3.024	50	30	CGGC	in-vitro
COC(=O)c1ccc(OCCCCBr)cc1	35731546	YHSVDHUYRUPKRR-UHFFFAOYSA-N	287.153	3.027	50	30	CGGC	in-vitro
C[C@H](Cl)[C@H]1CC(c2cc(F)c(F)c(F)c2)=NO1	217006966	IIOZZQBFDDEGOC-XUOSJQGZSA-N	263.646	3.224	50	30	CGGC	
COc1cccc2c1O[C@H](c1ccccc1)C(C=O)=C2	21304624	IORSCZHRSWGSGG-MRXNPFEDSA-N	266.296	3.411	50	30	CGGC	
O=C(CBr)c1ccc(CBr)cc1	100377077	MMMLMAIKUHFNDM-UHFFFAOYSA-N	291.970	3.159	50	30	CGGC	
CCOC(=O)/C(C#N)=C(\Nc1ccccc1Cl)SC	3126931	OVHCEOQVRVGVKJ-FMIVXFBMSA-N	296.779	3.413	50	30	CGGC	
COc1ccc(CCCBr)cc1OC	19785276	COWGZRGEFNSWNK-UHFFFAOYSA-N	259.143	3.031	50	30	CGGC	
N#CC(=C1SCCS1)c1ccc([N+](=O)[O-])cc1	74424	TVOYKFMCMIOKGR-UHFFFAOYSA-N	264.331	3.267	50	30	CGGC	
COC(=O)[C@H](Br)c1ccccc1C(F)(F)F	95347979	BRBOEALBFMVDME-MRVPVSSYSA-N	297.070	3.314	50	30	CGGC	
FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1CCl	536958115	VBCGMIXPTHXJNW-WCBMZHEXSA-N	250.647	3.407	50	30	CGGC	
Clc1cc(Br)cnc1CBr	238568544	MMKCLQUREMUTOO-UHFFFAOYSA-N	285.366	3.392	50	30	CGGC	
C[C@H](Oc1ccc(Br)cc1F)C(=O)Cl	725264987	IMSDXMQKYZXVBV-YFKPBYRVSA-N	281.508	3.121	50	30	CGGC	
CC(C)(C)OC(=O)N1CCC[C@@H](Br)CC1	307378501	XULQEBUTDVXTIP-SECBINFHSA-N	278.190	3.171	50	30	CGGC	
O=C(CBr)[C@@H]1CCCc2ccccc21	86981224	HNIBRNUNIXDCCO-LLVKDONJSA-N	253.139	3.071	50	30	CGGC	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CBr	104338105	OYIRTYWOCDNRPF-NSHDSACASA-N	296.208	3.209	50	30	CGGC	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)no1	153002	TZYGUHUXFRCEBX-UHFFFAOYSA-N	286.118	3.047	50	30	CGGC	
COc1ccc(OC(F)(F)F)c(CBr)c1	238384299	BLCMWABUEGRNRF-UHFFFAOYSA-N	285.059	3.489	50	30	CGGC	in-vitro
BrC[C@@H]1COc2ccc(Br)cc21	757122822	KKNOXMSKBCDJKA-ZCFIWIBFSA-N	291.970	3.320	50	30	CGGC	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1ccco1	4322764	KYNIZFXBIQSOKI-SOFGYWHQSA-N	274.257	3.039	50	30	CGGC	
CCO[SiH](OCC)OCCCC[C@H]1CC=CCC1	238790252	WUQGZULRHRAGPR-AWEZNQCLSA-N	272.461	3.320	50	30	CGGC	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CBr	227185404	FMIVIIYETJMQAE-IUCAKERBSA-N	278.190	3.027	50	30	CGGC	
IC[C@@H]1CC[C@@H](c2ccccc2)O1	39258584	LXZBQHGUWKJHPZ-QWRGUYRKSA-N	288.128	3.342	50	30	CGGC	
C[C@@H]1CC[C@H](CC2CCC(N=C=O)CC2)C[C@H]1N=C=O	606507020	CXSGYWVQWOTXPI-WEIUDFCLSA-N	276.380	3.412	50	30	CGGC	
ICCCCOc1ccccc1	137437080	CEJDPSORWDSKOB-UHFFFAOYSA-N	276.117	3.281	50	30	CGGC	
CCCCOc1cc(C(=O)Cl)ccc1[N+](=O)[O-]	96328322	RSUQWBCEFFWCAD-UHFFFAOYSA-N	257.673	3.153	50	30	CGGC	
ClCc1ccc(OCCN2CCCCC2)cc1	33995650	CVXCWPZVOYBWOJ-UHFFFAOYSA-N	253.773	3.290	50	30	CGGC	in-vitro
N#CSCCCCCCOC(=O)c1cccnc1	2007249	IESWZNJPBAPLIE-UHFFFAOYSA-N	264.350	3.013	50	30	CGGC	
BrP(Br)c1ccccc1	111329245	SDJKREQSNPYHJT-UHFFFAOYSA-N	267.888	3.414	50	30	CGGC	
CSC1=C(C#N)C(=O)N[C@H](c2ccc(Cl)cc2)S1	137128	GTPGJPLMZNXVTL-NSHDSACASA-N	296.804	3.300	50	30	CGGC	
Cc1occc1C(=O)C(C#N)=C1SCCCS1	168218	VANRJHLKUMUJNN-UHFFFAOYSA-N	265.359	3.376	50	30	CGGC	
O=C([C@H](Br)c1ccccc1)C(F)(F)F	116303257	XWQPKCABAXIHPC-SSDOTTSWSA-N	267.044	3.254	50	30	CGGC	
ClCc1ccn(-c2ccc(Br)cc2)n1	84179504	NSQYMVNAFKNQBU-UHFFFAOYSA-N	271.545	3.374	50	30	CGGC	
Fc1cc(Br)c2[nH]c(CCl)nc2c1	238610858	VCTHHOSVRBTWMR-UHFFFAOYSA-N	263.497	3.203	50	30	CGGC	
COc1cscc1C(=O)N/N=C/c1ccc(Cl)cc1	126565	YIPVVWGZFJIYAP-GIDUJCDVSA-N	294.763	3.174	50	30	CGGC	
O=C(N/N=C/c1cccnc1)c1c(Cl)cccc1Cl	1045844	FBOUHEIYVJEEIC-CAOOACKPSA-N	294.141	3.152	50	30	CGGC	
CN(C)CC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2Br	101263386	GUPCNVLMQHJYRT-ZTXIBQBTSA-N	272.230	3.138	50	30	CGGC	
Cn1c(CCl)nc2ccc(Br)cc21	83739273	VNLJSPDPUUXMMS-UHFFFAOYSA-N	259.534	3.075	50	30	CGGC	
CC[C@@H](Br)C(Br)Br	100270002	WMGQSHQUFZATPG-GSVOUGTGSA-N	294.812	3.276	50	30	CGGC	
COc1ccc(CCBr)cc1Br	82586966	BPVOAISIQNPEMB-UHFFFAOYSA-N	293.986	3.395	50	30	CGGC	
Cc1cc(Br)cnc1CBr	238471944	YEEJRCPTNSYKJI-UHFFFAOYSA-N	264.948	3.047	50	30	CGGC	
Clc1cc(CBr)cnc1Br	98181034	JHNQWIWQZVUGOB-UHFFFAOYSA-N	285.366	3.392	50	30	CGGC	
C[C@@H]1[C@H](C[C@@H]2CCCC[C@H]2N=C=O)CCC[C@H]1N=C=O	267327315	KDAXAQDZNIOWKC-LYYZXLFJSA-N	276.380	3.412	50	30	CGGC	
IC[C@H]1CC[C@H](c2ccccc2)O1	39258583	LXZBQHGUWKJHPZ-GHMZBOCLSA-N	288.128	3.342	50	30	CGGC	
Cc1ccc(F)c(N2CCC[C@H](Br)C2=O)c1	68575119	TYKMGVFUASTQFC-VIFPVBQESA-N	286.144	3.024	50	30	CGGC	in-vitro
F[C@@H](Cl)C(F)(F)OC(Cl)(Cl)Cl	33505631	LSAUFTHJJZPNMH-PVQJCKRUSA-N	251.846	3.458	50	30	CGGC	
C[Si](C)(C)O[Si](C)(CCCO)O[Si](C)(C)C	195761175	UEQGESBKRFPGEK-UHFFFAOYSA-N	280.589	3.144	50	30	CGGC	
O=[N+]([O-])c1ncn(Cc2ccccc2)c1C(Cl)Cl	100049370	LPKZKTLBSIYPDV-UHFFFAOYSA-N	286.118	3.316	50	30	CGGC	
C[C@@H](Cl)[C@H]1CC(c2cc(F)c(F)c(F)c2)=NO1	217006974	IIOZZQBFDDEGOC-GPXNAGAYSA-N	263.646	3.224	50	30	CGGC	
FC(F)(F)c1ccc(C#CCBr)cc1	49176287	IAAHLTKKGCESBD-UHFFFAOYSA-N	263.056	3.452	50	30	CGGC	
O[C@@H](CBr)c1ccc2ccccc2c1	12506198	HDRFYKFGBRXGRR-LBPRGKRZSA-N	251.123	3.268	50	30	CGGC	
N#Cc1ccc(CBr)c(OC(F)F)c1	74942307	SDKSPIZEQXQXLF-UHFFFAOYSA-N	262.053	3.055	50	30	CGGC	in-vitro
CCCCCCCCOC[C@@H](CCl)OC[C@@H]1CO1	111899697	QJCYYVDJEYLVQG-ZIAGYGMSSA-N	278.820	3.386	50	30	CGGC	
CC(C)N(CCCBr)CC(F)(F)F	42779614	YIWUSUYWPROMLP-UHFFFAOYSA-N	262.113	3.044	50	30	CGGC	in-vitro
Clc1ncc(Br)cc1CBr	98181043	PTXDFOPVGOFTTK-UHFFFAOYSA-N	285.366	3.392	50	30	CGGC	
Fc1ccc(-c2cnc(CBr)o2)cc1	4206734	WGLQYADVKZNXHC-UHFFFAOYSA-N	256.074	3.376	50	30	CGGC	
C[C@@H]1C[C@@H](Br)CN(C(=O)OC(C)(C)C)C1	306934824	GRHDGXGLBKWEQF-RKDXNWHRSA-N	278.190	3.027	50	30	CGGC	
Br[C@@H]1CC[C@H]2O[C@H]1O[C@H]2c1ccccc1	256013105	YGEABVREKIGWJD-WYUUTHIRSA-N	269.138	3.027	50	30	CGGC	
O=C(NCc1cccc(Cl)c1)N/N=C/c1cccs1	172608	UABASAKPAVHHLH-CXUHLZMHSA-N	293.779	3.235	50	30	CGGC	
CN(C)n1cccc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1	4351060	YVLRLLORXTWFAL-JLHYYAGUSA-N	299.761	3.129	50	30	CGGC	
C[C@@H]1CC[C@H](N=C=O)C[C@@H]1C[C@@H]1CCCC[C@@H]1N=C=O	111904896	CCDZNBDQBSSRAO-YXMSTPNBSA-N	276.380	3.412	50	30	CGGC	
CCCCCCCCOC[C@@H](CCl)OC[C@H]1CO1	111899701	QJCYYVDJEYLVQG-KGLIPLIRSA-N	278.820	3.386	50	30	CGGC	
COc1ccc(C(=O)CBr)cc1OC(C)C	380513995	QQXPFRSHZAMRFR-UHFFFAOYSA-N	287.153	3.060	50	30	CGGC	
CCOC(=O)N/N=C(\C)c1ccc(C(F)(F)F)cc1	4389461	RVNWKTBRKSFPEZ-LZYBPNLTSA-N	274.242	3.176	50	30	CGGC	
Cc1c(C[C@H]2CCCC[C@@H]2N=C=O)cccc1N=C=O	111904370	HVZNNFVEMZLASN-ZBFHGGJFSA-N	270.332	3.399	50	30	CGGC	
N#C/C(C(=O)c1ccco1)=C1/Nc2ccccc2S1	100399739	DZSQFQMLIHFTJX-NTEUORMPSA-N	268.297	3.415	50	30	CGGC	
C[C@@H]1C[C@H](CBr)CN1C(=O)OC(C)(C)C	238451002	MTLMMRXZIDTIAX-RKDXNWHRSA-N	278.190	3.027	50	30	CGGC	
BrCc1ccc(OC2CCCC2)cn1	86795072	RMWBXDSASQKEPB-UHFFFAOYSA-N	256.143	3.298	50	30	CGGC	
Cc1oc(-c2ccccc2)nc1C(=O)CBr	34407471	RSBWHTQEZHZARK-UHFFFAOYSA-N	280.121	3.228	50	30	CGGC	
N#CC(N)=C(C#N)N=Cc1cccc(Oc2ccccc2)c1	2265272104	ZMOSKHLHBKWQNV-UHFFFAOYSA-N	288.310	3.115	50	30	CGGC	
CO[Si](C)(OC)[C@@H](CCl)Cc1ccccc1	204197871	BKIFLGFSTQYKNN-GFCCVEGCSA-N	258.821	3.203	50	30	CGGC	
COc1ccc2nc(CBr)ccc2c1	95762159	JIFUUGHBYDMCDY-UHFFFAOYSA-N	252.111	3.138	50	30	CGGC	
O=C1c2ccccc2[C@@H](Br)[C@@H]1Br	196306727	DKFIODDWNZLRCT-SFYZADRCSA-N	289.954	3.082	50	30	CGGC	
CSC(SC)=C(C#N)C(=O)c1cccc([N+](=O)[O-])c1	95998	ZYYCSEOFLQESSZ-UHFFFAOYSA-N	294.357	3.239	50	30	CGGC	
C=CC(=C)[Si]1(Oc2ccccc2O)Oc2ccccc2O1	238791346	SIHCHSJRIOUIRE-UHFFFAOYSA-N	298.370	3.463	50	30	CGGC	
CCC[C@H](CCO)SS[C@H](CCC)CCO	71614636	KAPUPNHDWNOREH-VXGBXAGGSA-N	266.472	3.470	50	30	CGGC	
COC(=O)/C=C/c1ccccc1O[Si](C)(C)C	195758917	WYFVWTTXZPTAKZ-MDZDMXLPSA-N	250.370	3.087	50	30	CGGC	
Fc1cc(F)c2sc(CBr)nc2c1	34301759	KIRNDFQEFIIAGQ-UHFFFAOYSA-N	264.094	3.469	50	30	CGGC	
N#CCOc1ccc(Cl)cc1CBr	36895247	DNTPOEXTEKINRB-UHFFFAOYSA-N	260.518	3.137	50	30	CGGC	
CCc1cccc(CC)c1NC(=O)CBr	2576649	YBRWPODFDHQWIG-UHFFFAOYSA-N	270.170	3.145	50	30	CGGC	
Cc1ccc(NNC(=O)c2ccc(F)cc2F)c(C)c1	151495	ISKNPKKXRGGGSP-UHFFFAOYSA-N	276.286	3.339	50	30	CGGC	
C[C@H]1CCCC[C@@]1(O)OOC1(COO)CCCCC1	238790824	AMQMXNLFUZNMCT-GXTWGEPZSA-N	274.357	3.026	50	30	CGGC	
CCc1ccc(C(=O)NNc2cccc(C)c2)cc1	151809	ZIHQJCIGVQVVMF-UHFFFAOYSA-N	254.333	3.314	50	30	CGGC	
BrCCOc1cccc2cccnc12	20296921	HJZFACWHKVHPHA-UHFFFAOYSA-N	252.111	3.009	50	30	CGGC	in-vitro
BrCCCCCO[C@@H]1CCCCO1	2552390	IIYALNBCDFGNNL-JTQLQIEISA-N	251.164	3.095	50	30	CGGC	
CC(=O)OCCCCCCCCBr	95933203	IBVSNLOAMZZZMZ-UHFFFAOYSA-N	251.164	3.285	50	30	CGGC	
O=[N+]([O-])c1c(Br)cccc1CCl	238519076	NANWDDDERXRZAI-UHFFFAOYSA-N	250.479	3.096	50	30	CGGC	
O=c1[nH]c(CCl)nc2cc(-c3ccccc3)sc12	38681422	GVNINDVYYMFZJV-UHFFFAOYSA-N	276.748	3.390	50	30	CGGC	
C[C@@H]1[C@H](C[C@@H]2CCCC[C@@H]2N=C=O)CCC[C@@H]1N=C=O	111904903	KDAXAQDZNIOWKC-YXMSTPNBSA-N	276.380	3.412	50	30	CGGC	
[C-]#[N+][C@@H](c1ccccc1)S(=O)(=O)c1ccccc1	584883709	JYDTYHMJFXKUNT-CQSZACIVSA-N	257.314	3.078	50	30	CGGC	
COc1ccc(OCc2nc(CCl)cs2)cc1	19787990	HUBOMJBOQLQYCF-UHFFFAOYSA-N	269.753	3.470	50	30	CGGC	in-vitro
Cc1ccc(-c2ccc(CBr)cn2)nc1	36431475	NZTFUSADNGXITD-UHFFFAOYSA-N	263.138	3.347	50	30	CGGC	
CCCCCCCCOC(=O)[C@@H](Cl)C(=O)CCl	103832033	LQJAFKFQGKZOLK-NSHDSACASA-N	283.195	3.305	50	30	CGGC	
C[C@@H](Br)C(=O)c1c(F)cc(F)cc1F	34962679	HRUCKGJEHROEGC-SCSAIBSYSA-N	267.044	3.070	50	30	CGGC	
CCCCOc1ccc(C(=O)CBr)cc1	87224655	MIODISVXSASJOK-UHFFFAOYSA-N	271.154	3.443	50	30	CGGC	
O=C(Cl)[C@@H](C(=O)OCc1ccccc1)c1ccccc1	111871557	VWOHADKFMSXEIE-AWEZNQCLSA-N	288.730	3.279	50	30	CGGC	
O=C=Nc1ccc(OC(F)(F)C(Cl)Cl)cc1	111878428	QHTKVCGDWAOTGS-UHFFFAOYSA-N	268.046	3.429	50	30	CGGC	
CCc1ccc(C(=O)NNc2ccccc2F)cc1	151469	FIPQJCVHCSLGMW-UHFFFAOYSA-N	258.296	3.145	50	30	CGGC	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2Br	725246590	YQJYXGDFKAYZEM-SECBINFHSA-N	290.201	3.171	50	30	CGGC	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1	139622	AYXQKHXMXCGAGI-SOFGYWHQSA-N	264.306	3.178	50	30	CGGC	
C[C@H]1C[C@H](CBr)CN1C(=O)OC(C)(C)C	238437374	MTLMMRXZIDTIAX-DTWKUNHWSA-N	278.190	3.027	50	30	CGGC	
N#C/C(=C\c1cccs1)S(=O)(=O)c1cccs1	96504	JOHZZUBPWUAGTJ-JXMROGBWSA-N	281.383	3.148	50	30	CGGC	
CC[C@@H](CCBr)NC(=O)OC(C)(C)C	218374741	UYRLNSJFDKJUTP-QMMMGPOBSA-N	266.179	3.075	50	30	CGGC	
CCOC(=O)[C@@H](Cl)c1ccc(F)c(Cl)c1	88042764	FJVIXJUEWMBJHE-VIFPVBQESA-N	251.084	3.322	50	30	CGGC	
ClCc1ccc(N2CCOCC2)c(Br)c1	236026205	VHOLNFMNBMZZSP-UHFFFAOYSA-N	290.588	3.025	50	30	CGGC	
CSC1=C(C#N)C(=O)N[C@@H](c2ccc(Cl)cc2)S1	137126	GTPGJPLMZNXVTL-LLVKDONJSA-N	296.804	3.300	50	30	CGGC	
CCOc1ccc(Br)cc1C=C(C#N)C#N	1045201	RWMPECBYKSWCCO-UHFFFAOYSA-N	277.121	3.278	50	30	CGGC	
CC(C)[C@@H](Br)c1ccc(C(=O)O)cc1	72233095	OOPJCYJQSDULQJ-SNVBAGLBSA-N	257.127	3.477	50	30	CGGC	
COC(=O)c1cc2cc(CBr)ccc2o1	34120118	AWCPGVQAHZGMBK-UHFFFAOYSA-N	269.094	3.114	50	30	CGGC	
COC(=O)[C@H](Br)c1c(F)cccc1Cl	82586369	HZRGNHMEQSEVDA-MRVPVSSYSA-N	281.508	3.088	50	30	CGGC	in-vitro
Cn1cccc1C(=O)N/N=C/c1c(Cl)cccc1Cl	142306	HWRBKCKGDSRBJT-LZYBPNLTSA-N	296.157	3.096	50	30	CGGC	
C[C@@H]1CC[C@H](Br)CN1C(=O)OC(C)(C)C	307497839	KQBDOEZHYOWSKY-BDAKNGLRSA-N	278.190	3.169	50	30	CGGC	
CC(=O)[C@@H](Br)c1ccccc1Br	258600935	OEYYUPATHDKOPH-SECBINFHSA-N	291.970	3.474	50	30	CGGC	
C[C@H](Br)CCC(=O)CCCBr	100045869	CAYLVUUIOXJSDY-ZETCQYMHSA-N	286.007	3.294	50	30	CGGC	
C[C@@H](NC(=O)OC(C)(C)C)C1(CBr)CC1	696128065	VPYQBOQQGPBKCK-MRVPVSSYSA-N	278.190	3.075	50	30	CGGC	
COc1ccc(COc2ncccc2CCl)cc1	40886495	IQVAXDXCVVIBNB-UHFFFAOYSA-N	263.724	3.408	50	30	CGGC	
C[C@@H]1CC[C@H](CC2CCC(N=C=O)CC2)C[C@@H]1N=C=O	111899462	CXSGYWVQWOTXPI-CBDKUPKJSA-N	276.380	3.412	50	30	CGGC	
C#Cc1cc(Br)cc(CBr)c1	237995101	WPMLCHVNKLGDOT-UHFFFAOYSA-N	273.955	3.325	50	30	CGGC	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CBr	227185402	FMIVIIYETJMQAE-BDAKNGLRSA-N	278.190	3.027	50	30	CGGC	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc[nH]2)c(C)c1	137283	MICRNWPJEAJCKU-UKTHLTGXSA-N	265.316	3.177	50	30	CGGC	
O=C(NNc1ccccc1F)c1c(F)cccc1Cl	151462	CWAHPQLBBUDTJZ-UHFFFAOYSA-N	282.677	3.375	50	30	CGGC	
CC[C@H](Br)C(=O)c1ccc(NC(C)=O)cc1	71049951	KVUIKXCSRNPPMJ-NSHDSACASA-N	284.153	3.001	50	30	CGGC	
Cc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1	147720	YIBQBDDYCJMCNU-UHFFFAOYSA-N	273.336	3.172	50	30	CGGC	
BrCCC[C@@H](Br)C1CC1	111894324	VHXVANJGTFQCCP-SSDOTTSWSA-N	255.981	3.335	50	30	CGGC	
Br[C@H]1CC[C@H]2O[C@H]1O[C@H]2c1ccccc1	100093551	YGEABVREKIGWJD-USZNOCQGSA-N	269.138	3.027	50	30	CGGC	
N#CC(C(=O)c1ccco1)=C1SCCCS1	94670	UCQNNWHNWAKSCN-UHFFFAOYSA-N	251.332	3.068	50	30	CGGC	
CC[C@H](Br)C(Br)Br	100269999	WMGQSHQUFZATPG-VKHMYHEASA-N	294.812	3.276	50	30	CGGC	
COc1cc(CBr)ccc1OC(F)F	36894838	CEEHMLARGLIAER-UHFFFAOYSA-N	267.069	3.192	50	30	CGGC	
C/C(=C\C(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	195782101	CWJVRLKZONLMHK-CSKARUKUSA-N	288.492	3.079	50	30	CGGC	
Brc1ccc2c(n1)CC[C@H]2Br	238019137	XCPJPUPBDLSNGX-ZCFIWIBFSA-N	276.959	3.226	50	30	CGGC	
CC(C)(C)NC(=O)NNc1nc2ccc(Cl)cc2s1	107160	VESNNRQVCGAQJY-UHFFFAOYSA-N	298.799	3.374	50	30	CGGC	
CC(C)(C)C(=O)/C(C#N)=C/Nc1ccc(Cl)cn1	96434	RTLBFENLCJMNBA-VQHVLOKHSA-N	263.728	3.170	50	30	CGGC	
COc1ccc(/C(C#N)=C2\C=C/C(=N\O)C(Cl)=C2)cc1	4335623	DFEWDPRFZHMTII-COWYBJPUSA-N	286.718	3.495	50	30	CGGC	
C[C@@H]1C[C@@H](CBr)CN1C(=O)OC(C)(C)C	238423118	MTLMMRXZIDTIAX-BDAKNGLRSA-N	278.190	3.027	50	30	CGGC	
Cc1c(C[C@H]2CCCC[C@H]2N=C=O)cccc1N=C=O	111904376	HVZNNFVEMZLASN-GDBMZVCRSA-N	270.332	3.399	50	30	CGGC	
O=C(OCc1ccccc1)N1CC(CCBr)C1	95080461	FAWMKRMLEASTIE-UHFFFAOYSA-N	298.180	3.040	50	30	CGGC	
O=C(NNc1ccccc1F)c1sccc1Cl	151458	AOKVXDZODHECSC-UHFFFAOYSA-N	270.716	3.298	50	30	CGGC	
O=C(/C=C/c1cccs1)Oc1ccc([N+](=O)[O-])cc1	73930	JIAIYOVZZUDUBY-BQYQJAHWSA-N	275.285	3.275	50	30	CGGC	
BrCc1cc2c(c(C3CC3)c1)OCO2	695121778	AKRMLZSEPRBEQP-UHFFFAOYSA-N	255.111	3.188	50	30	CGGC	
CCCCCCCCOC[C@H](CCl)OC[C@@H]1CO1	111899700	QJCYYVDJEYLVQG-UONOGXRCSA-N	278.820	3.386	50	30	CGGC	
C[Si](C)(C)OCCCCI	196052533	FEMVMWBUUSTGJQ-UHFFFAOYSA-N	272.202	3.053	50	30	CGGC	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CBr)C1	207412633	XJDUGNDNCQMMBK-VHSXEESVSA-N	292.217	3.465	50	30	CGGC	
O=C(CBr)[C@H]1CCCc2ccccc21	86981223	HNIBRNUNIXDCCO-NSHDSACASA-N	253.139	3.071	50	30	CGGC	
Cc1cnc(CBr)c(C)c1Br	95935538	WDHFLSDUDGZUKC-UHFFFAOYSA-N	278.975	3.356	50	30	CGGC	
Cc1cc(F)c(Cl)cc1C(=O)CBr	306948569	UAOAQSUJTXADSK-UHFFFAOYSA-N	265.509	3.365	50	30	CGGC	
Cc1ccccc1-c1ncc(CBr)cn1	39121245	CTJJOAWBYKGZTD-UHFFFAOYSA-N	263.138	3.347	50	30	CGGC	
COC1=CC(=O)C(/C(C=O)=C/c2ccccc2)=C(O)C1(C)C	238790772	WFQHTTZNEXKGHX-UKTHLTGXSA-N	298.338	3.220	50	30	CGGC	
Brc1ccc2c(n1)CC[C@@H]2Br	238037846	XCPJPUPBDLSNGX-LURJTMIESA-N	276.959	3.226	50	30	CGGC	
BrC[C@H]1COc2ccc(Br)cc21	757122818	KKNOXMSKBCDJKA-LURJTMIESA-N	291.970	3.320	50	30	CGGC	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCCS1	122678	TYJVXBISTXIYQO-JTQLQIEISA-N	291.203	3.332	50	30	CGGC	
O=C1[C@H](Br)CCCN1c1ccccc1Cl	70060747	NLVSBBUEHDVHOP-MRVPVSSYSA-N	288.572	3.230	50	30	CGGC	in-vitro
O=C(NN=Cc1cccnc1)c1cc(Cl)ccc1Cl	254493364	OJARACVJFGUERP-UHFFFAOYSA-N	294.141	3.152	50	30	CGGC	
Cc1cc(F)ccc1N1CCC[C@@H](Br)C1=O	68575075	HEADJMIIBHAJPV-SNVBAGLBSA-N	286.144	3.024	50	30	CGGC	in-vitro
O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CCl)o1	34963916	KKMRQTLKPLRCJD-UHFFFAOYSA-N	274.063	3.037	50	30	CGGC	
Cc1noc(-c2ccc(CCl)cc2)c1C(=O)O	51943951	JVJVXXMFTFTUDP-UHFFFAOYSA-N	251.669	3.087	50	30	CGGC	
O=C(NNc1ccc(Cl)cc1)c1ccc(F)cc1F	152283	GHHWTWKLUMGZGG-UHFFFAOYSA-N	282.677	3.375	50	30	CGGC	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CBr)C1	675051615	VYWILIRJCAZVBU-BDAKNGLRSA-N	278.190	3.075	50	30	CGGC	
Cc1cc(Cl)cc2c1OCC[C@H](Br)C2=O	39711876	FRRBAWZAFNEHNY-VIFPVBQESA-N	289.556	3.377	50	30	CGGC	
CCn1nccc1-c1cc(CCl)cc2c1OCO2	521399616	NKNKTPUFQCGUBA-UHFFFAOYSA-N	264.712	3.038	50	30	CGGC	
Cc1csc2sc(/C=N/C(C#N)=C(\N)C#N)c(C)c12	20442929	GXEZRGOLBHWVJQ-SYSGVOERSA-N	286.385	3.216	50	30	CGGC	
N#CC(C(=O)c1ccccc1)=C1SCCCS1	174267	AFSSAHOZKULCBJ-UHFFFAOYSA-N	261.371	3.475	50	30	CGGC	
C[C@H](Cl)[C@@H]1CC(c2cc(F)c(F)cc2F)=NO1	235487269	WHNFUBXKMLVGQS-DYEAUMGKSA-N	263.646	3.224	50	30	CGGC	
CC(C)(C)OC(=O)N1CCC[C@H](Br)CC1	307378502	XULQEBUTDVXTIP-VIFPVBQESA-N	278.190	3.171	50	30	CGGC	
O=C=Nc1cc(Br)ccc1OC(F)(F)F	399273806	FERBJBMTZKYGOF-UHFFFAOYSA-N	282.015	3.315	50	30	CGGC	
Cc1cc(N/C=C(\C#N)C(=O)c2ccc(Cl)cc2)no1	2147618	KUZSKRMKHREXAH-DHZHZOJOSA-N	287.706	3.339	50	30	CGGC	
ICc1ccc2ncccc2c1	33369628	WQQMYKMZGVNMIC-UHFFFAOYSA-N	269.085	3.170	50	30	CGGC	
ClCCCN1CCN(c2ccc(Cl)cc2)CC1	1664972	AJMULYPQYYXEQK-UHFFFAOYSA-N	273.207	3.091	50	30	CGGC	in-vitro
COc1cccc(CBr)c1CBr	97972241	GGQGEUNWYGXQDS-UHFFFAOYSA-N	293.986	3.485	50	30	CGGC	
C[C@H]1C[C@H](CBr)CN(C(=O)OC(C)(C)C)C1	306987190	PVOQJIJXJPZWTC-VHSXEESVSA-N	292.217	3.274	50	30	CGGC	
O=Cc1ccc(Br)cc1CBr	224629110	NINMCMDQHKVQGX-UHFFFAOYSA-N	277.943	3.157	50	30	CGGC	
O=C(NNc1ccc(F)cc1F)c1sccc1Cl	152317	UQRNNANTQBXMBU-UHFFFAOYSA-N	288.706	3.437	50	30	CGGC	
O=C(NNc1ccc(F)cc1)c1c(F)cccc1Cl	148645	FPNSQYKSUFKFBP-UHFFFAOYSA-N	282.677	3.375	50	30	CGGC	
O=C1c2ccc3ccccc3c2OC[C@@H]1Br	39616963	CVSCKMZSGGTMSK-NSHDSACASA-N	277.117	3.178	50	30	CGGC	
CC(C)(C)C(=O)C(C#N)=CNCCc1c[nH]c2ccccc12	2265272093	XUITWMKPRLPVGQ-UHFFFAOYSA-N	295.386	3.323	50	30	CGGC	
Fc1ccc(CBr)cc1OC(F)F	238525072	XSERTOGMNQODFG-UHFFFAOYSA-N	255.033	3.322	50	30	CGGC	
C[C@@H]1C[C@@H](CBr)CN(C(=O)OC(C)(C)C)C1	306987191	PVOQJIJXJPZWTC-ZJUUUORDSA-N	292.217	3.274	50	30	CGGC	
C/C(=N\N(CCCl)CCCl)c1ccccc1	100061775	MGMOZLMVTHGLLV-RVDMUPIBSA-N	259.180	3.190	50	30	CGGC	
COc1ccc(C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	4361626	DJZRNWUYJPBYEA-GXDHUFHOSA-N	279.295	3.191	50	30	CGGC	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CBr	227185392	FMIVIIYETJMQAE-RKDXNWHRSA-N	278.190	3.027	50	30	CGGC	
IC[C@@H]1C=Cc2ccccc2C1	95696881	UBNOFIFZXOYEHD-SECBINFHSA-N	270.113	3.307	50	30	CGGC	
C[C@@H]1CC[C@@H](CC2CCC(N=C=O)CC2)C[C@H]1N=C=O	606507019	CXSGYWVQWOTXPI-CMTNHCDUSA-N	276.380	3.412	50	30	CGGC	
BrC[C@H]1CC=CC[C@H]1CBr	138572333	DVVDZCQWTCVCFD-OCAPTIKFSA-N	267.992	3.359	50	30	CGGC	
Cc1c(C[C@@H]2CCCC[C@@H]2N=C=O)cccc1N=C=O	111904365	HVZNNFVEMZLASN-HOCLYGCPSA-N	270.332	3.399	50	30	CGGC	
CCOc1ccc(C2=NO[C@H]([C@H](C)Cl)C2)cc1	217005400	XWCJQDHHOICXIM-ZANVPECISA-N	253.729	3.206	50	30	CGGC	
CCC[C@H]1CC[C@H](C2=C(B(O)O)CCCC2)CC1	257351995	IJZWLLTVNCCMFP-JOCQHMNTSA-N	250.191	3.476	50	30	CGGC	
O=C(Cl)Oc1ccc(Br)cc1F	95829677	AWBIFSSEGLZDRJ-UHFFFAOYSA-N	253.454	3.326	50	30	CGGC	
CC(=O)[C@H](Br)Cc1ccc(Cl)cc1F	52228960	YEJTTYZBANPNIU-SECBINFHSA-N	279.536	3.374	50	30	CGGC	in-vitro
Fc1cccc(CCl)c1I	238539740	LZDLOKNHORHYPQ-UHFFFAOYSA-N	270.472	3.169	50	30	CGGC	
CC(=O)OO[C@](C#N)(c1ccccc1)C1CCCCC1	143656206	JEEKVPYWKMIRQE-MRXNPFEDSA-N	273.332	3.480	50	30	CGGC	
[C-]#[N+][C@H](c1ccccc1)S(=O)(=O)c1ccccc1	584883708	JYDTYHMJFXKUNT-AWEZNQCLSA-N	257.314	3.078	50	30	CGGC	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1	90672	ATKSHJPRSCFUOR-NTEUORMPSA-N	291.285	3.243	50	30	CGGC	
Nc1ccccc1C(=O)NNc1cc(Cl)cc(Cl)c1	145435	KFXSSZZBFQAPTH-UHFFFAOYSA-N	296.157	3.333	50	30	CGGC	
BrCCC[C@H](Br)C1CC1	111894327	VHXVANJGTFQCCP-ZETCQYMHSA-N	255.981	3.335	50	30	CGGC	
CC1(C)OC(=C(C#N)C#N)C(C#N)=C1c1ccc(F)cc1	32098827	ZSCNXXRPYCIGMA-UHFFFAOYSA-N	279.274	3.213	50	30	CGGC	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CBr	1536017838	YWJVWWMRIFCFID-VHSXEESVSA-N	292.217	3.274	50	30	CGGC	
CN(C)n1cccc1/C=C(\C#N)C(=O)c1ccccc1Cl	4351062	QLMCYJOYEHGFFB-ZRDIBKRKSA-N	299.761	3.129	50	30	CGGC	
O=C(Cl)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2	306775764	MGYCCUWULREGMW-YDRMRZIKSA-N	277.589	3.486	50	30	CGGC	
CN(C)CC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2Br	299848475	GUPCNVLMQHJYRT-QTGKYELZSA-N	272.230	3.138	50	30	CGGC	
CC(C)(C)OC(=O)N1CCC(=C(C#N)c2cccnc2)CC1	390795226	IAKOMZLBWCHULI-UHFFFAOYSA-N	299.374	3.390	50	30	CGGC	
COc1nc2ccccc2cc1CBr	238382940	VUXQXAVSVBZLAF-UHFFFAOYSA-N	252.111	3.138	50	30	CGGC	
O=C([C@@H](Br)c1ccccc1)C(F)(F)F	116303254	XWQPKCABAXIHPC-ZETCQYMHSA-N	267.044	3.254	50	30	CGGC	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccco1	138002	AMQPGZFGSMCRGT-LICLKQGHSA-N	295.298	3.007	50	30	CGGC	
O=C(CCc1ccccc1)OC(=O)CCc1ccccc1	85773079	SQAHPYZABTWPNY-UHFFFAOYSA-N	282.339	3.322	50	30	CGGC	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CBr	227185396	FMIVIIYETJMQAE-DTWKUNHWSA-N	278.190	3.027	50	30	CGGC	
C[C@@H](Cl)[C@@H]1CC(c2cc(F)c(F)c(F)c2)=NO1	217006956	IIOZZQBFDDEGOC-FWOIEVBISA-N	263.646	3.224	50	30	CGGC	
CC(C)C[C@@H](CBr)NC(=O)OC(C)(C)C	59839396	QOUMJXYJNQUGAT-VIFPVBQESA-N	280.206	3.321	50	30	CGGC	
CCC[C@H](Br)C(=O)c1ccc(OC)cc1	21994152	RTILIJSYRVLPFX-NSHDSACASA-N	271.154	3.442	50	30	CGGC	
CCN(CCC#N)c1ccc(C=C(C#N)C#N)c(C)c1	5316495	DLOOSWBMFRKOIU-UHFFFAOYSA-N	264.332	3.166	50	30	CGGC	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CBr	1536017830	YWJVWWMRIFCFID-NXEZZACHSA-N	292.217	3.274	50	30	CGGC	
ClCC1(c2ccc(Cl)cc2Cl)OCCO1	38637003	CLGGAEHNDWBJKR-UHFFFAOYSA-N	267.539	3.432	50	30	CGGC	
C[C@@H](Oc1ccc(Br)cc1F)C(=O)Cl	725264986	IMSDXMQKYZXVBV-RXMQYKEDSA-N	281.508	3.121	50	30	CGGC	
O=C(c1ccc(Cl)cc1)[C@@H](F)Br	689657950	HJPGDTSWDHCNSM-MRVPVSSYSA-N	251.482	3.213	50	30	CGGC	
COc1cc(-c2noc(CCl)n2)cc(Cl)c1OC	22152966	GSKBQRMMSODBPX-UHFFFAOYSA-N	289.118	3.146	50	30	CGGC	
C[C@]1(CI)CC1(Cl)Cl	59213601	VHQHPMCSMTVXCE-SCSAIBSYSA-N	264.921	3.005	50	30	CGGC	
CCO[SiH](OCC)OCCCC[C@@H]1CC=CCC1	238790251	WUQGZULRHRAGPR-CQSZACIVSA-N	272.461	3.320	50	30	CGGC	
C[C@@H](Br)C(=O)C1(c2ccccc2)CC1	238854534	OGHIKZZIKLEPHX-SECBINFHSA-N	253.139	3.071	50	30	CGGC	
O=C(O)Oc1ccc([N+](=O)[O-])cc1-c1ccccc1	198646743	FYJFQBNUQCDIRL-UHFFFAOYSA-N	259.217	3.319	50	30	CGGC	
BrCCCCOCCCCBr	5113005	YMNORPXRNJKRRR-UHFFFAOYSA-N	288.023	3.353	50	30	CGGC	
BrCCCOc1cncc(Br)c1	70043417	AKZKFFFJPXIENW-UHFFFAOYSA-N	294.974	3.008	50	30	CGGC	
O=C(Cl)c1cc(Br)c(Br)o1	139944966	RYMSLIRJMFBVFO-UHFFFAOYSA-N	288.322	3.184	50	30	CGGC	
C[C@@H]1CC[C@@H](CC2CCC(N=C=O)CC2)C[C@@H]1N=C=O	111899467	CXSGYWVQWOTXPI-JEXVJZPNSA-N	276.380	3.412	50	30	CGGC	
O=C1c2ccc3ccccc3c2OC[C@H]1Br	39616964	CVSCKMZSGGTMSK-LLVKDONJSA-N	277.117	3.178	50	30	CGGC	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)no1	146652	LRKFFLMURJVBAR-UHFFFAOYSA-N	286.118	3.047	50	30	CGGC	
COC(=O)c1cc(Cl)cc(CBr)c1	138128556	FYPPFSJOIUDJBL-UHFFFAOYSA-N	263.518	3.022	50	30	CGGC	
FC(F)(F)Oc1cccc(C#CCBr)c1	521401995	UZISWJZZKGUCCO-UHFFFAOYSA-N	279.055	3.332	50	30	CGGC	
ClC1(Cl)C[C@@H]1CCI	307612558	KQRPXBHTEAPOBJ-BYPYZUCNSA-N	264.921	3.005	50	30	CGGC	
ICc1coc(-c2ccccc2)n1	34729544	AUXXYEOGNXWTJT-UHFFFAOYSA-N	285.084	3.277	50	30	CGGC	
Br[C@H]1CC[C@H]2O[C@H]1O[C@@H]2c1ccccc1	100093548	YGEABVREKIGWJD-QCNOEVLYSA-N	269.138	3.027	50	30	CGGC	
CC(=O)Nc1cc(C(C)C)ccc1C(=O)CCl	39123997	UNKNQDXEWKFXPX-UHFFFAOYSA-N	253.729	3.190	50	30	CGGC	
CSC(Sc1ccccc1[N+](=O)[O-])=C(C#N)C#N	15444234	SKJLBKWECINZDR-UHFFFAOYSA-N	277.330	3.309	50	30	CGGC	
O=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F	100053006	HRJYQKAJBSOOOZ-UHFFFAOYSA-N	266.034	3.156	50	30	CGGC	
C[C@H](Br)C(=O)c1c(F)cc(F)cc1F	34962677	HRUCKGJEHROEGC-BYPYZUCNSA-N	267.044	3.070	50	30	CGGC	
C[C@H]1C[C@@H](NC(=O)/C(C#N)=C/c2ccc[nH]2)CC(C)(C)C1	4322215	REZILLLCWFFIJX-SFPHSEHVSA-N	285.391	3.253	50	30	CGGC	
Cc1cc(CBr)c(Br)cn1	306988115	ZZXJPZIHPDHZCH-UHFFFAOYSA-N	264.948	3.047	50	30	CGGC	
N#CC1=C(N)C(C#N)(C#N)C2(CCCCC2)[C@@H]2CCCC=C12	98202	ZZCHYXQOJIZKSX-OAHLLOKOSA-N	292.386	3.447	50	30	CGGC	
F[C@H](Cl)C(F)(F)OC(Cl)(Cl)Cl	33505632	LSAUFTHJJZPNMH-SFOWXEAESA-N	251.846	3.458	50	30	CGGC	
COc1ccc(C2=NO[C@H]([C@@H](C)Cl)C2)cc1Cl	217001651	ZPHHBYXZJJXEJW-KRTXAFLBSA-N	274.147	3.469	50	30	CGGC	
CC(C)O[Si](CCCl)(OC(C)C)OC(C)C	195767046	DDLMFVOFOCTELA-UHFFFAOYSA-N	268.857	3.439	50	30	CGGC	
CCOC(=O)N/N=C/c1sc2ccccc2c1C	172487	FZXMLXRQTKTENM-RIYZIHGNSA-N	262.334	3.290	50	30	CGGC	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)cc(Cl)n1	4382838	XRHBWAWNXGBJGL-UHFFFAOYSA-N	296.157	3.454	50	30	CGGC	
CCOC(OCC)c1ccc(C=C(C#N)C#N)cc1	95959	HBVBSGPSGOGYSZ-UHFFFAOYSA-N	256.305	3.189	50	30	CGGC	
CC(C)(C)OC(=O)N(CCCBr)C1CC1	145654646	NGWGFTQWJRGRRN-UHFFFAOYSA-N	278.190	3.171	50	30	CGGC	
CC(C)(C)S(=O)(=O)/C(C#N)=C/c1ccc(F)cc1F	106209	QGNKDACBHJONRS-IZZDOVSWSA-N	285.315	3.043	50	30	CGGC	
Cc1c(C[C@@H]2CCCC[C@H]2N=C=O)cccc1N=C=O	111904374	HVZNNFVEMZLASN-GOEBONIOSA-N	270.332	3.399	50	30	CGGC	
CN(CCCCBr)Cc1ccc(F)cc1	42437091	WEMMACQBZLHIPE-UHFFFAOYSA-N	274.177	3.433	50	30	CGGC	in-vitro
CNc1ccccc1C(=O)NNc1ccc(Cl)cc1	145437	CMXHLWDLKMWPOZ-UHFFFAOYSA-N	275.739	3.139	50	30	CGGC	
CCC[C@H](Br)C(=O)c1ccc2c(c1)OCO2	65734523	FQBSUOHBUXPEHI-VIFPVBQESA-N	285.137	3.162	50	30	CGGC	in-vitro
Oc1cc(CBr)cc(C(F)(F)F)c1	238682543	DRSLBTMSQZATMU-UHFFFAOYSA-N	255.033	3.306	50	30	CGGC	
CCCCCCCCOC[C@H](CCl)OC[C@H]1CO1	111899704	QJCYYVDJEYLVQG-KBPBESRZSA-N	278.820	3.386	50	30	CGGC	
COc1cc(CCl)c(Cl)c(OC)c1OC	90527062	RYILSNRQSLTWPT-UHFFFAOYSA-N	251.109	3.105	50	30	CGGC	
C[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	195782030	GRKPITUYBIOOJQ-JTQLQIEISA-N	290.508	3.159	50	30	CGGC	
CCOc1ccc(C2=NO[C@H]([C@@H](C)Cl)C2)cc1	217005382	XWCJQDHHOICXIM-RNCFNFMXSA-N	253.729	3.206	50	30	CGGC	
O=C(CBr)c1cc(-c2ccc(F)cc2)no1	15809961	MHGWOWJBQRRVJE-UHFFFAOYSA-N	284.084	3.058	50	30	CGGC	
Cc1ccc2oc(C(=O)CBr)cc2c1	87224547	GOHMGDPGIPLEOX-UHFFFAOYSA-N	253.095	3.319	50	30	CGGC	
O=C(CCc1ccccc1)NNc1ccc(Cl)cc1	152289	XHPQDWUKICDFJA-UHFFFAOYSA-N	274.751	3.416	50	30	CGGC	
CCO[Si](CC[C@H](C)SC#N)(OCC)OCC	196282588	CSNCCNLXNYETHP-NSHDSACASA-N	277.462	3.028	50	30	CGGC	
CCOC(=O)N/N=C(\Cc1ccccc1)c1ccccc1	4390006	YZVKPMPPENTXEP-FBMGVBCBSA-N	282.343	3.380	50	30	CGGC	
Cc1ccc(C[C@H]2CCCC[C@@H]2N=C=O)cc1N=C=O	111904358	FMDRDYRSPCQUOF-CABCVRRESA-N	270.332	3.399	50	30	CGGC	
C[C@H](NC(=O)OC(C)(C)C)C1(CBr)CC1	696128067	VPYQBOQQGPBKCK-QMMMGPOBSA-N	278.190	3.075	50	30	CGGC	
CC(C)(C)OC(=O)N1CCc2ncc(CCl)cc2C1	381938159	VQSGTFHMDYGHDS-UHFFFAOYSA-N	282.771	3.114	50	30	CGGC	
ClC/C(Br)=C(\Br)CCl	111872046	HQBBIQIXNMQZMP-ONEGZZNKSA-N	282.790	3.465	50	30	CGGC	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2cccs2)[nH]1	4390354	LSSUNRGUYUVYQE-YRNVUSSQSA-N	256.330	3.483	50	30	CGGC	
CCCCc1ccc(N/C=C(\C#N)C(=O)OC)c(C)c1	4336025	BSODPFGVDZSUAT-SDNWHVSQSA-N	272.348	3.330	50	30	CGGC	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccs2)s1	108103	ZTRUDFOMZYYAEN-JXMROGBWSA-N	295.410	3.386	50	30	CGGC	
COC(=O)[C@@H](Br)c1ccc(F)cc1Cl	222912103	MAFZXXZQECZWQZ-QMMMGPOBSA-N	281.508	3.088	50	30	CGGC	
O=[N+]([O-])c1ccccc1OCCCCBr	6731802	PQTCDOPRKWQEBA-UHFFFAOYSA-N	274.114	3.149	50	30	CGGC	
CC1(C)Oc2c(CBr)cc(F)cc2C1=O	118891838	ZWGXRDUBPHQYTL-UHFFFAOYSA-N	273.101	3.074	50	30	CGGC	
COc1ccc(C2=NO[C@@H]([C@H](C)Cl)C2)cc1Cl	217001661	ZPHHBYXZJJXEJW-JVXZTZIISA-N	274.147	3.469	50	30	CGGC	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CBr	35322993	BTJNROBVHDMNFZ-SECBINFHSA-N	278.190	3.171	50	30	CGGC	
BrCC(CBr)C1CCC1	757067670	WXPGJVSEWLAHMJ-UHFFFAOYSA-N	255.981	3.193	50	30	CGGC	
Cc1c(Cl)cccc1NC=CC(=C(C#N)C#N)N(C)C	2265271945	NUNQJDZFFMDWDW-UHFFFAOYSA-N	286.766	3.437	50	30	CGGC	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CBr	1536017843	YWJVWWMRIFCFID-ZJUUUORDSA-N	292.217	3.274	50	30	CGGC	
Cc1ccc(C[C@@H]2CCCC[C@@H]2N=C=O)cc1N=C=O	111904354	FMDRDYRSPCQUOF-GJZGRUSLSA-N	270.332	3.399	50	30	CGGC	
CC(C)(C)[Si](C)(C)OC[C@H](O)c1ccccn1	195827928	WKYRJYLECFRJPO-LBPRGKRZSA-N	253.418	3.137	50	30	CGGC	
BrCc1nc(-c2ccccc2)ns1	196178126	NBUAKQXELSGMIF-UHFFFAOYSA-N	255.140	3.100	50	30	CGGC	
CC(C)(C)OC(=O)NCC1(CBr)CCC1	717621638	GYAMPAUSNRJQOS-UHFFFAOYSA-N	278.190	3.076	50	30	CGGC	
O[C@H](CBr)c1ccc2ccccc2c1	12506199	HDRFYKFGBRXGRR-GFCCVEGCSA-N	251.123	3.268	50	30	CGGC	
N#C/C(=C\c1c[nH]c2ncccc12)C(=O)Nc1ccccc1	5999378	IQDSZOWCXCQZOB-FMIVXFBMSA-N	288.310	3.109	50	30	CGGC	
C[C@H]1C[C@@H](CBr)CN(C(=O)OC(C)(C)C)C1	306987189	PVOQJIJXJPZWTC-UWVGGRQHSA-N	292.217	3.274	50	30	CGGC	
COc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1	5733401	IJTQUXKLUPYVCA-UHFFFAOYSA-N	276.723	3.106	50	30	CGGC	
C[C@@H]1C[C@H](NC(=O)/C(C#N)=C/c2ccc[nH]2)CC(C)(C)C1	4322213	REZILLLCWFFIJX-ADUFIXBUSA-N	285.391	3.253	50	30	CGGC	
CO[Si](C)(OC)[C@H](CCl)Cc1ccccc1	204197855	BKIFLGFSTQYKNN-LBPRGKRZSA-N	258.821	3.203	50	30	CGGC	
Cc1cc(F)ccc1N1CCC[C@H](Br)C1=O	68575073	HEADJMIIBHAJPV-JTQLQIEISA-N	286.144	3.024	50	30	CGGC	in-vitro
C[C@@H]1[C@H](C[C@@H]2CCCC[C@H]2N=C=O)CCC[C@@H]1N=C=O	267327318	KDAXAQDZNIOWKC-OLMNGRFOSA-N	276.380	3.412	50	30	CGGC	
CC(C)C[C@H](CBr)NC(=O)OC(C)(C)C	122724638	QOUMJXYJNQUGAT-SECBINFHSA-N	280.206	3.321	50	30	CGGC	
O=C=Nc1cc(Br)cc(C(F)(F)F)c1	83851979	PGOJVIXXAXKMAS-UHFFFAOYSA-N	266.016	3.435	50	30	CGGC	
CCC[C@@H](Br)C(=O)c1ccc(C(=O)OC)cc1	21994144	IATJTXRWQPLRPJ-LLVKDONJSA-N	299.164	3.220	50	30	CGGC	
COC(=O)[C@@H](Br)c1c(F)cccc1Cl	82586370	HZRGNHMEQSEVDA-QMMMGPOBSA-N	281.508	3.088	50	30	CGGC	in-vitro
CCCCOB(CI)OCCCC	195770457	JTBKQQJNWZOKCS-UHFFFAOYSA-N	297.973	3.082	50	30	CGGC	
C[C@H](Cl)[C@H]1CC(c2cc(F)c(F)cc2F)=NO1	235489220	WHNFUBXKMLVGQS-ULHQUTTKSA-N	263.646	3.224	50	30	CGGC	
CCc1ccccc1NNC(=O)c1ccc(F)cc1F	148602	HXWCMIQBWSPUMO-UHFFFAOYSA-N	276.286	3.284	50	30	CGGC	
O=C(Cl)c1ccc(OC(F)F)c(OCC2CC2)c1	38841717	LBLBOIFGYPHXGS-UHFFFAOYSA-N	276.666	3.456	50	30	CGGC	
[N-]=[N+]=N[C@@H]1CCCCC[C@H]1I	1535643270	FWEYNPZSYYGLGT-RNFRBKRXSA-N	265.098	3.433	50	30	CGGC	
COC1CCC([C@@](C)(C#N)O[Si](C)(C)C)CC1	253388085	BDOKHQKAZQPXNZ-WXRRBKDZSA-N	255.434	3.325	50	30	CGGC	
CCCc1ccc(C(=O)NNc2ccc(OC)cc2)cc1	148314	HSZSQBAHLKTJIT-UHFFFAOYSA-N	284.359	3.405	50	30	CGGC	
CCC[C@@H](Br)C(=O)c1ccc2c(c1)OCO2	65734525	FQBSUOHBUXPEHI-SECBINFHSA-N	285.137	3.162	50	30	CGGC	in-vitro
C/C(=N\NC(=O)O)c1ccc(Oc2ccccc2)cc1	4697268	HPNACAVTWLEWEX-LFIBNONCSA-N	270.288	3.471	50	30	CGGC	
FC(=CCBr)C(F)(F)Br	2265381512	VHSKOJYDDTXSAC-UHFFFAOYSA-N	267.870	3.222	50	30	CGGC	
COC(=O)[C@H](Br)c1ccc(F)cc1Cl	222912033	MAFZXXZQECZWQZ-MRVPVSSYSA-N	281.508	3.088	50	30	CGGC	
N#C/C(=C\c1cccs1)S(=O)(=O)c1ccc(F)cc1	170411	RENODXKXJUAOBI-MDWZMJQESA-N	293.344	3.226	50	30	CGGC	
CC(=O)OO[C@@](C#N)(c1ccccc1)C1CCCCC1	143655980	JEEKVPYWKMIRQE-INIZCTEOSA-N	273.332	3.480	50	30	CGGC	
C[C@@H](Cl)[C@@H]1CC(c2cc(F)c(F)cc2F)=NO1	235134422	WHNFUBXKMLVGQS-GCXOYZPQSA-N	263.646	3.224	50	30	CGGC	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2Br	725246591	YQJYXGDFKAYZEM-VIFPVBQESA-N	290.201	3.171	50	30	CGGC	
O=C(Nc1ccc(Br)cc1)C(Cl)Cl	73417	JCMYDJFPADBOJV-UHFFFAOYSA-N	282.952	3.191	50	30	CGGC	
COC(C=CNc1ccc(Cl)cc1)=C(C#N)C#N	2265276402	KFVNASNTQWFFCV-UHFFFAOYSA-N	259.696	3.213	50	30	CGGC	
C[C@@H]1CC[C@H](N=C=O)C[C@@H]1C[C@H]1CCCC[C@@H]1N=C=O	267324779	CCDZNBDQBSSRAO-OWYFMNJBSA-N	276.380	3.412	50	30	CGGC	
Cc1cc(CBr)cnc1Br	200677732	QNJCTOIWAUZOJQ-UHFFFAOYSA-N	264.948	3.047	50	30	CGGC	
O=C1c2ccccc2C(=O)N1CCCCCCCl	2379807	LEUPKJCLIHEGKN-UHFFFAOYSA-N	265.740	3.082	50	30	CGGC	
CC1(Br)CCC(Br)CC1	307645864	AENOVVSXIHVRIR-UHFFFAOYSA-N	255.981	3.478	50	30	CGGC	
ClCc1sccc1I	307416687	OFGMUSRWYUFAKS-UHFFFAOYSA-N	258.511	3.092	50	30	CGGC	
Cn1c(CCl)nc2cc(Br)ccc21	36891009	AFKAGAQQLUHZOA-UHFFFAOYSA-N	259.534	3.075	50	30	CGGC	
CC(C)(C)OC(=O)N1C2CCC1(CBr)CC2	675050589	BMOGVESZXOAUPF-UHFFFAOYSA-N	290.201	3.313	50	30	CGGC	
CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)CCCl	71250814	FEEDIFKYUSSXSF-CYBMUJFWSA-N	272.776	3.299	50	30	CGGC	
IC[C@@H]1CC[C@H](c2ccccc2)O1	39258585	LXZBQHGUWKJHPZ-WDEREUQCSA-N	288.128	3.342	50	30	CGGC	
O=C=Nc1ccccc1Cc1ccccc1N=C=O	1849942	JIABEENURMZTTI-UHFFFAOYSA-N	250.257	3.212	50	30	CGGC	in-vitro
Cc1noc(C)c1C(=O)NNc1ccccc1C(F)(F)F	147158	ZMBYYEIFSFKWAL-UHFFFAOYSA-N	299.252	3.067	50	30	CGGC	
O=C(CBr)[C@H]1CCCc2sccc21	96373501	JPONGXMLGKBWIS-ZETCQYMHSA-N	259.168	3.132	50	30	CGGC	
CCOC(=O)[C@H](Cl)c1ccc(Br)cc1F	50978683	FMNGZOYGXDOZJW-SECBINFHSA-N	295.535	3.431	50	30	CGGC	in-vitro
Cc1cc(Br)c(CBr)cn1	306516070	APIWEYRTWKGRNI-UHFFFAOYSA-N	264.948	3.047	50	30	CGGC	
CCCC[C@H](Br)C(=O)OC(C)(C)C	34514717	NBXOKFDATKQLMD-QMMMGPOBSA-N	251.164	3.282	50	30	CGGC	
CCOc1ccc(C2=NO[C@@H]([C@@H](C)Cl)C2)cc1	217005391	XWCJQDHHOICXIM-NOZJJQNGSA-N	253.729	3.206	50	30	CGGC	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CBr	104338107	OYIRTYWOCDNRPF-LLVKDONJSA-N	296.208	3.209	50	30	CGGC	
O=C(Nc1ccc2c(c1)OCO2)c1ccc(CCl)cc1	37343165	FLRXCEUUZDHSIB-UHFFFAOYSA-N	289.718	3.406	50	30	CGGC	
CC(C)NC[C@@H](COc1cccc2ccccc12)OO	100099974	IPSFCMAJKKFPFD-AWEZNQCLSA-N	275.348	3.075	50	30	CGGC	
Cc1cc(C)c2c(c1)P(=O)(O)c1cc(C)cc(C)c1O2	137612351	YQZXKZAQEJDVGD-UHFFFAOYSA-N	288.283	3.247	50	30	CGGC	
CON=C(CBr)c1ccc(Cl)cc1	254819649	NPAHWSUAQZFFLK-UHFFFAOYSA-N	262.534	3.085	50	30	CGGC	
C[C@@H](Br)CCC(=O)CCCBr	100045871	CAYLVUUIOXJSDY-SSDOTTSWSA-N	286.007	3.294	50	30	CGGC	
IC[C@H]1C=Cc2ccccc2C1	95696882	UBNOFIFZXOYEHD-VIFPVBQESA-N	270.113	3.307	50	30	CGGC	
COc1c(F)c(F)cc(CBr)c1F	145655669	AWHVEXXSURGJNO-UHFFFAOYSA-N	255.033	3.007	50	30	CGGC	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CBr)C1	207412675	XJDUGNDNCQMMBK-UWVGGRQHSA-N	292.217	3.465	50	30	CGGC	
Cc1cc(=O)oc2ccc(OCCCCl)cc12	95932053	AIFJUEQYVRXVBT-UHFFFAOYSA-N	252.697	3.109	50	30	CGGC	
CCCC[C@@H](Br)C(=O)OC(C)(C)C	34514718	NBXOKFDATKQLMD-MRVPVSSYSA-N	251.164	3.282	50	30	CGGC	
Cc1ccc(C[C@H]2CCCC[C@H]2N=C=O)cc1N=C=O	111904362	FMDRDYRSPCQUOF-HUUCEWRRSA-N	270.332	3.399	50	30	CGGC	
O=C(CCc1ccc(O)cc1)N/N=C/C=C/c1ccccc1	2158761	CAQCFXQEXNLNCP-IXZZYPTHSA-N	294.354	3.140	50	30	CGGC	
COc1ccc(-c2cc(CCl)cc3c2OCO3)cn1	521399623	RBZXKRBVGFYTPC-UHFFFAOYSA-N	277.707	3.225	50	30	CGGC	
COC(=C(C#N)C#N)c1c(-c2ccccc2)noc1C	1045613	OSODLKFYHWCERC-UHFFFAOYSA-N	265.272	3.055	50	30	CGGC	
O=C(NNc1cc(Cl)cc(Cl)c1)C1CCC1	153253	UFGWYXCIRZSPDF-UHFFFAOYSA-N	259.136	3.237	50	30	CGGC	
S=C=NN1C(Br)=CNc2ccccc21	100507754	YDTVEHPOFSPZMT-UHFFFAOYSA-N	268.139	3.130	50	30	CGGC	
COc1ccc(C2=NO[C@@H]([C@@H](C)Cl)C2)cc1Cl	217001670	ZPHHBYXZJJXEJW-JMCQJSRRSA-N	274.147	3.469	50	30	CGGC	
Cc1cc(C)cc(OCc2noc(CCl)n2)c1	83250306	CESZZRILMRKVSL-UHFFFAOYSA-N	252.701	3.004	50	30	CGGC	
Cc1cc(Cl)cc2c1OCC[C@@H](Br)C2=O	39711877	FRRBAWZAFNEHNY-SECBINFHSA-N	289.556	3.377	50	30	CGGC	
C[C@H](Cl)[C@@H]1CC(c2cc(F)c(F)c(F)c2)=NO1	217006949	IIOZZQBFDDEGOC-RRAGMBSWSA-N	263.646	3.224	50	30	CGGC	
ClCCN=c1c2c([nH]c3ccccc13)CCCC2	607715930	OXPNILDOEWPUFD-UHFFFAOYSA-N	260.768	3.186	50	30	CGGC	
Cc1ccc(C[C@@H]2CCCC[C@H]2N=C=O)cc1N=C=O	111904360	FMDRDYRSPCQUOF-LSDHHAIUSA-N	270.332	3.399	50	30	CGGC	
O=C(Cl)c1ccc2c(Cl)nnc(Cl)c2c1	137754269	CVXIRTCLVZZRKV-UHFFFAOYSA-N	261.495	3.316	50	30	CGGC	
BrC1=C[C@@H]2CC[C@@H](C2)[C@H]1Br	196141025	JZZNKURWGORCEM-GKROBHDKSA-N	265.976	3.459	50	30	CGGC	
COOC(=O)c1cccc(-c2ccccc2)c1OC	604934835	XWAINTBXGCCCMM-UHFFFAOYSA-N	258.273	3.080	50	30	CGGC	
Cc1c(Br)ccc2nc(CCl)cn12	238506115	CCQVXCCCHGGRTG-UHFFFAOYSA-N	259.534	3.144	50	30	CGGC	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)c1ccccc1	4361820	FBJOXKFEZLOSAU-LFIBNONCSA-N	275.307	3.411	50	30	CGGC	
Cc1cccc(C)c1NC(=O)N1C=C(CCl)OC1	96347739	HARKYXYYQNSUAO-UHFFFAOYSA-N	266.728	3.205	50	30	CGGC	
COc1cccc2c1O[C@@H](c1ccccc1)C(C=O)=C2	21304629	IORSCZHRSWGSGG-INIZCTEOSA-N	266.296	3.411	50	30	CGGC	
CC(C)(C)OC(=O)N1CC[C@@](C)(CBr)C1	306596262	MEYJFBPZHPIMMO-NSHDSACASA-N	278.190	3.028	50	30	CGGC	
O=C(CCl)Nc1cc(Cl)c(Cl)cc1F	2015081	KCRLIDURMKQYFB-UHFFFAOYSA-N	256.491	3.310	50	30	CGGC	
O=C(NNc1c(Cl)cccc1Cl)C1CCC1	153016	WOXOCCMSXPJOFK-UHFFFAOYSA-N	259.136	3.237	50	30	CGGC	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1	4306179	PDCFUTWYLRGYHC-JLHYYAGUSA-N	266.300	3.135	50	30	CGGC	
FC(F)(F)c1ccc(N2CCOCC2)c(CCl)c1	12370575	KCGVSWOLBMMCMW-UHFFFAOYSA-N	279.689	3.281	50	30	CGGC	
Fc1ccc(N=C=S)c(I)c1	86765126	XVGUQHOLWGXMIP-UHFFFAOYSA-N	279.077	3.165	50	30	CGGC	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCCS1	122675	TYJVXBISTXIYQO-SNVBAGLBSA-N	291.203	3.332	50	30	CGGC	
CC(C)(C)OC(=O)N1CCCC[C@@H](CBr)C1	307660832	FYOAIAZARVRFPV-JTQLQIEISA-N	292.217	3.419	50	30	CGGC	
CCC[C@H](Br)C(=O)c1ccc(C(=O)OC)cc1	21994147	IATJTXRWQPLRPJ-NSHDSACASA-N	299.164	3.220	50	30	CGGC	
O=C(CBr)[C@@H]1CCCc2sccc21	96373500	JPONGXMLGKBWIS-SSDOTTSWSA-N	259.168	3.132	50	30	CGGC	
O=C(CCl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	39123904	WZJCPSMYAOZRHV-UHFFFAOYSA-N	267.590	3.035	50	30	CGGC	
CCOC(=O)[C@H](Cl)c1ccc(F)c(Cl)c1	88042762	FJVIXJUEWMBJHE-SECBINFHSA-N	251.084	3.322	50	30	CGGC	
CC[C@H](Br)C(=O)N(C)c1ccc(C)cc1	61494069	CZMCSIKFZUJVSM-NSHDSACASA-N	270.170	3.131	50	30	CGGC	
Cc1sc(Br)nc1CBr	117346645	SQSBWYSRKYKNGH-UHFFFAOYSA-N	270.977	3.109	50	30	CGGC	
CCC[C@@H](CCO)SS[C@H](CCC)CCO	71614632	KAPUPNHDWNOREH-TXEJJXNPSA-N	266.472	3.470	50	30	CGGC	
O=C1[C@@H](Br)CCCN1c1ccccc1Cl	70060746	NLVSBBUEHDVHOP-QMMMGPOBSA-N	288.572	3.230	50	30	CGGC	in-vitro
IC[C@H]1CC[C@@H](c2ccccc2)O1	39258582	LXZBQHGUWKJHPZ-MNOVXSKESA-N	288.128	3.342	50	30	CGGC	
CC(C)CC(CBr)CBr	118126435	XPQJUJUKEMMSKO-UHFFFAOYSA-N	257.997	3.439	50	30	CGGC	
O=C(Cl)[C@H](C(=O)OCc1ccccc1)c1ccccc1	111871561	VWOHADKFMSXEIE-CQSZACIVSA-N	288.730	3.279	50	30	CGGC	
Fc1ccc2c(c1)nc(CCl)n2CC(F)(F)F	36897487	XCPWCBDMWGVNBP-UHFFFAOYSA-N	266.625	3.477	50	30	CGGC	in-vitro
CC(C)(C)COC(=O)OOC(=O)OCC(C)(C)C	114276270	KZFNMVCALXOLSY-UHFFFAOYSA-N	262.302	3.300	50	30	CGGC	
CC[C@@H](Br)C(=O)c1ccc(NC(C)=O)cc1	71049954	KVUIKXCSRNPPMJ-LLVKDONJSA-N	284.153	3.001	50	30	CGGC	
CCc1ccccc1NNC(=O)CCc1ccccc1	148613	GFXTYTMAXZMCQU-UHFFFAOYSA-N	268.360	3.325	50	30	CGGC	
CCC[C@@H](CCO)SS[C@@H](CCC)CCO	71614629	KAPUPNHDWNOREH-RYUDHWBXSA-N	266.472	3.470	50	30	CGGC	
CC(C)(C)C(=O)/C(C#N)=C/Nc1cccc2nsnc12	168113	QZOMZISEDDJTHO-CMDGGOBGSA-N	286.360	3.126	50	30	CGGC	
Br[C@@H]1CC[C@H]2O[C@H]1O[C@@H]2c1ccccc1	256013104	YGEABVREKIGWJD-KKOKHZNYSA-N	269.138	3.027	50	30	CGGC	
N#CC(C(=O)c1cccs1)=C1SCCS1	94773	HCOVEPZGONRRAF-UHFFFAOYSA-N	253.373	3.146	50	30	CGGC	
CN(C)C(C=CNc1ccc(Cl)cc1)=C(C#N)C#N	2265278896	SDRVVXWKQIZVBR-UHFFFAOYSA-N	272.739	3.128	50	30	CGGC	
C[C@@H]1CCCC[C@]1(O)OOC1(COO)CCCCC1	238790825	AMQMXNLFUZNMCT-OCCSQVGLSA-N	274.357	3.026	50	30	CGGC	
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CBr	1536017835	YWJVWWMRIFCFID-UWVGGRQHSA-N	292.217	3.274	50	30	CGGC	
CC(C)(C)OC(=O)N1CCCC[C@H](CBr)C1	307660835	FYOAIAZARVRFPV-SNVBAGLBSA-N	292.217	3.419	50	30	CGGC	
Fc1ccc(OCCBr)c(Br)c1	19505567	PEWSGHGLFSFLKS-UHFFFAOYSA-N	297.949	3.362	50	30	CGGC	
CC(C)(C)OC(=O)N(N)c1cc(Br)cs1	2265385516	DJGVVDIVOKBCEK-UHFFFAOYSA-N	293.186	3.126	50	30	CGGC	
O=S(=O)(c1ccc(Cl)cc1)C(F)(F)[C@H](F)Cl	1081520	FLVTUGVCOUUNCK-ZETCQYMHSA-N	293.093	3.241	50	30	CGGC	
C[C@@H]1CCCC[C@@]1(O)OOC1(COO)CCCCC1	238790823	AMQMXNLFUZNMCT-TZMCWYRMSA-N	274.357	3.026	50	30	CGGC	
C[C@@H]1C[C@H](CBr)CN(C(=O)OC(C)(C)C)C1	306987188	PVOQJIJXJPZWTC-NXEZZACHSA-N	292.217	3.274	50	30	CGGC	
O=C(CBr)c1cccc(OC2CCC2)c1	95630099	WAFZDILVLWQWKG-UHFFFAOYSA-N	269.138	3.196	50	30	CGGC	
ClCc1cn(-c2ccc(Cl)c(Cl)c2)nn1	52224380	CANHUYYJAUMSCD-UHFFFAOYSA-N	262.527	3.313	50	30	CGGC	in-vitro
BrCCCCCO[C@H]1CCCCO1	3958465	IIYALNBCDFGNNL-SNVBAGLBSA-N	251.164	3.095	50	30	CGGC	
CCc1ccc(C(=O)NNc2ccc(F)cc2)cc1	148652	DLHUVCHQSLIVCO-UHFFFAOYSA-N	258.296	3.145	50	30	CGGC	
Cc1csc2sc(/C=C(\C#N)S(C)(=O)=O)c(C)c12	125578	OFGBQEVLGKBSNY-RUDMXATFSA-N	297.426	3.489	50	30	CGGC	
C/C(CC1(CC(C)C)CCCCC1)=N\NC(N)=O	136458	HPSRFUXVCVKRKZ-FOWTUZBSSA-N	253.390	3.417	50	30	CGGC	
Cc1occc1C(=O)NN=CC=Cc1ccc(N(C)C)cc1	2265279605	FBUNRXOKEMUEOJ-UHFFFAOYSA-N	297.358	3.083	50	30	CGGC	
O=C=NCc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	96336188	XBUGFMSNFYIZHS-UHFFFAOYSA-N	254.245	3.098	50	30	CGGC	
CC(C)NC[C@H](COc1cccc2ccccc12)OO	100099976	IPSFCMAJKKFPFD-CQSZACIVSA-N	275.348	3.075	50	30	CGGC	
CC(=O)[C@H](Br)Cc1cccc(Cl)c1F	52229559	CAHFUTMAQPFOIO-MRVPVSSYSA-N	279.536	3.374	50	30	CGGC	in-vitro
C[C@H]1C[C@@H](Br)CN(C(=O)OC(C)(C)C)C1	306934821	GRHDGXGLBKWEQF-DTWKUNHWSA-N	278.190	3.027	50	30	CGGC	
CCO[Si](CC[C@@H](C)SC#N)(OCC)OCC	196282582	CSNCCNLXNYETHP-LLVKDONJSA-N	277.462	3.028	50	30	CGGC	
IC[C@H]1CC2(CCCCC2)CO1	536957765	KIMYQYDFIKXIHE-SECBINFHSA-N	280.149	3.161	50	30	CGGC	
CNc1ccc(P(c2ccccc2)c2ccccc2)cc1	100049400	SSPIOAADVNJISK-UHFFFAOYSA-N	291.334	3.487	50	30	CGGC	
CC(C)(C)C(CBr)CBr	97971345	MYFVKCDXYJZKJS-UHFFFAOYSA-N	257.997	3.439	50	30	CGGC	in-vitro
CSC(SC)=C(C#N)C(=O)c1ccoc1C	168137	OYGQPLAIGBREEK-UHFFFAOYSA-N	253.348	3.232	50	30	CGGC	
Cc1ccc(C(=O)NNc2ncnc3scc(C)c23)cc1	82617	WDUUCZKUGSUDBA-UHFFFAOYSA-N	298.371	3.065	50	30	CGGC	
Oc1cc(-c2nnc(CCl)o2)cc2ccccc12	584883969	XHWCHXBUTNQTDS-UHFFFAOYSA-N	260.680	3.334	50	30	CGGC	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CBr)C1	675051620	VYWILIRJCAZVBU-IUCAKERBSA-N	278.190	3.075	50	30	CGGC	
COc1ccc(NNC(=O)c2c(F)cccc2Cl)cc1	148307	FBCVPFOBGFBHNQ-UHFFFAOYSA-N	294.713	3.245	50	30	CGGC	
C[C@H]1C[C@H](Br)CN(C(=O)OC(C)(C)C)C1	306934822	GRHDGXGLBKWEQF-IUCAKERBSA-N	278.190	3.027	50	30	CGGC	
C[C@@H]1CC[C@H](N=C=O)C[C@@H]1C[C@@H]1CCCC[C@H]1N=C=O	267324778	CCDZNBDQBSSRAO-OLMNGRFOSA-N	276.380	3.412	50	30	CGGC	
CCc1cnc(O[Si](C)(C)C)nc1O[Si](C)(C)C	195790100	LDOSMABNJYPYLA-UHFFFAOYSA-N	284.508	3.466	50	30	CGGC	
COc1ccc(C(=O)[C@@H](C)Br)cc1Cl	36903537	XXGTZRPNCKOTRR-ZCFIWIBFSA-N	277.545	3.315	50	30	CGGC	in-vitro
CCC(Br)(Br)CBr	90414182	LMTXANJNYFUPOZ-UHFFFAOYSA-N	294.812	3.277	50	30	CGGC	
CC(C)(C)c1oncc1C(=O)Oc1ccc([N+](=O)[O-])cc1	97994616	BAVCQVMXGFGEFE-UHFFFAOYSA-N	290.275	3.100	50	30	CGGC	
CN(CCCCCBr)C(=O)OC(C)(C)C	227143416	PMLLDDNCZLPNKU-UHFFFAOYSA-N	280.206	3.419	50	30	CGGC	
CC[C@@H](Br)C(=O)N(C)c1ccc(C)cc1	61494071	CZMCSIKFZUJVSM-LLVKDONJSA-N	270.170	3.131	50	30	CGGC	
CC(=O)[C@@H](Br)Cc1cccc(Cl)c1F	52229562	CAHFUTMAQPFOIO-QMMMGPOBSA-N	279.536	3.374	50	30	CGGC	in-vitro
CCCCOc1cccc(C(=O)CBr)c1	141146942	SJVRTFANSLQKMA-UHFFFAOYSA-N	271.154	3.443	50	30	CGGC	
OCCCCCCCCCI	34616240	DERKZNXHICJXOU-UHFFFAOYSA-N	270.154	3.144	50	30	CGGC	
C[Si]1(C)CN(Cc2ccccc2)C[Si](C)(C)O1	196408794	LXNJLDVEXLNKEM-UHFFFAOYSA-N	265.505	3.007	50	30	CGGC	
Cc1ccc(NNC(=O)c2cccs2)cc1Cl	147464	QXQIEHRCZXQXLA-UHFFFAOYSA-N	266.753	3.467	50	30	CGGC	
O=S(=O)(c1ccc(Cl)cc1)C(F)(F)[C@@H](F)Cl	1081519	FLVTUGVCOUUNCK-SSDOTTSWSA-N	293.093	3.241	50	30	CGGC