smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944801	AUYWXPHEIZPLSH-CYBMUJFWSA-N	464.562	2.364	70	20	JEID	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCOCC1	865206153	UFZPGHUGDOWDOA-UHFFFAOYSA-N	472.516	2.017	70	20	JEID	
COc1cc(CN2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc(OC)c1OC	865208235	FZRISWFAAJMQLK-UHFFFAOYSA-N	452.504	2.329	70	20	JEID	
CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865210137	UDFSYEFKXPJSNS-INIZCTEOSA-N	471.551	2.371	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1	848947472	QPZZZRZJDXFVDJ-UHFFFAOYSA-N	477.542	2.403	70	20	JEID	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc21	848945918	XWQCNALKMDCLJR-UHFFFAOYSA-N	482.559	2.326	70	20	JEID	
CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947717	FKTLTLVXRSNAFJ-NSHDSACASA-N	456.473	2.057	70	20	JEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	1337726309	XWMGZXQBFOZGLU-UHFFFAOYSA-N	452.938	2.206	70	20	JEID	
O=C(c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl)N1CCOCC1	848944782	ZTJCFNOGSQZHRP-UHFFFAOYSA-N	462.908	2.271	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	1346040021	AIYXWILPFHMLAD-UHFFFAOYSA-N	470.331	2.126	70	20	JEID	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1	216871429	FNADHNBVBKNGRP-UGSOOPFHSA-N	461.925	2.244	70	20	JEID	
O=C(CSCC(=O)Nc1ccc(S(=O)(=O)F)cc1)Nc1ccc(S(=O)(=O)F)cc1	865204203	JOPKEOYQMBSBRL-UHFFFAOYSA-N	464.493	2.313	70	20	JEID	
O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cccc(S(=O)(=O)F)c1	1516701045	DYEMLDRKMDZQIR-UHFFFAOYSA-N	458.508	2.457	70	20	JEID	
O=c1cc(CN2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)nc2sccn12	217098285	BLMQLHVCFXOOED-UHFFFAOYSA-N	454.524	2.070	70	20	JEID	
Cc1cc(-n2c(C)cc(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c2C)no1	218007779	FIMWSORMVXFWHN-UHFFFAOYSA-N	452.540	2.418	70	20	JEID	
O=C(NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1123523576	FUFIDBSICPRKLE-HXUWFJFHSA-N	456.499	2.061	70	20	JEID	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1337725988	VFLLOJLPPSZYBO-UHFFFAOYSA-N	472.516	2.017	70	20	JEID	
O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCN(c2cccc(O)c2)CC1	217473834	VZKFCYBGIHOKMU-UHFFFAOYSA-N	475.475	2.414	70	20	JEID	
CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1C	848944158	NTWJAFVPLSBVOB-UHFFFAOYSA-N	464.562	2.485	70	20	JEID	
CN1CCN(c2ncc(Br)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848948701	FBCMARHJGFQAHV-UHFFFAOYSA-N	493.380	2.055	70	20	JEID	
Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)no1	848947268	DTZIZIFEKZMZGX-UHFFFAOYSA-N	475.501	2.243	70	20	JEID	
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1337520183	TZCHTOHFCWSPBG-UHFFFAOYSA-N	469.579	2.352	70	20	JEID	
COCCn1cnc2c1c(=O)n(CCC(=O)Nc1cccc(F)c1)c(=O)n2Cc1ccccc1	217674046	RPNBFQVQADMJHW-UHFFFAOYSA-N	465.485	2.222	70	20	JEID	
CN1CCC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C1	848946943	IWDQSCFDLPTPGQ-KRWDZBQOSA-N	469.560	2.312	70	20	JEID	
CN(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848948738	GJFASDYBROQOKX-UHFFFAOYSA-N	463.940	2.090	70	20	JEID	
CN1CCC(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	217932907	XDCHRUIPZBVRMQ-OAHLLOKOSA-N	458.422	2.402	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	1346040619	LUDALAZERKLGAR-UHFFFAOYSA-N	453.883	2.334	70	20	JEID	
CN1CCN(CCNC(=O)c2cc(Br)ccc2I)CC1	217060666	KXHKCTNCVODNJQ-UHFFFAOYSA-N	452.134	2.031	70	20	JEID	
CNC(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1Br	848948005	WKPDYICHWPOIAR-UHFFFAOYSA-N	451.295	2.268	70	20	JEID	
O=C1CN(c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CCN1	848946266	WBIPSHVRKSYNQJ-UHFFFAOYSA-N	481.449	2.101	70	20	JEID	
CC(C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944602	QVSQCKHPAIIYHE-UHFFFAOYSA-N	450.535	2.175	70	20	JEID	
CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CCC(=O)NC1=O	848944305	CHRWJBDWTUNXTA-LJQANCHMSA-N	454.501	2.230	70	20	JEID	
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)o1	848946679	TZFDXOLZIILMJP-UHFFFAOYSA-N	459.502	2.498	70	20	JEID	
O=c1cc(CN2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)nc2sccn12	217098203	PIDZQMHUWLYDFF-FQEVSTJZSA-N	450.564	2.467	70	20	JEID	
Cc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1I	848946960	KLZGZRHCVHWXRD-UHFFFAOYSA-N	456.258	2.454	70	20	JEID	
O=C(Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)c1ccc(S(=O)(=O)F)cc1	865206037	WJGOAGCKJWTXCP-UHFFFAOYSA-N	483.525	2.278	70	20	JEID	
Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc(S(=O)(=O)F)c[nH]4)CC3)n2)cc1	1263696868	CEWSSSSOKMZNFY-UHFFFAOYSA-N	461.519	2.422	70	20	JEID	
C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C[C@@H](C)O1	848944553	ONDUOFJPGSHTAC-OKILXGFUSA-N	456.517	2.395	70	20	JEID	
CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947716	FKTLTLVXRSNAFJ-LLVKDONJSA-N	456.473	2.057	70	20	JEID	
COCCCN(C(=O)c1cn(C)c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	216845202	YHZCYFZOIRZUOS-UHFFFAOYSA-N	461.522	2.342	70	20	JEID	
CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1340088479	QKIPYROPKGBZDJ-UHFFFAOYSA-N	453.473	2.194	70	20	JEID	
O=C(NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1123523575	FUFIDBSICPRKLE-FQEVSTJZSA-N	456.499	2.061	70	20	JEID	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123744090	VSJYTYMPJBSHOH-RHSMWYFYSA-N	486.566	2.041	70	20	JEID	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1	1336413083	KFXBXHJMUYMRAX-CQSZACIVSA-N	457.549	2.333	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2=O)cc1	865204236	KSXRUUGKKNAXNH-OAHLLOKOSA-N	497.570	2.367	70	20	JEID	
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765599	QJCJUWBABUGCJT-IAGOWNOFSA-N	455.584	2.148	70	20	JEID	
CN1CCC(N(C)C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1	218603968	VKVNLPAOXOAIPN-UHFFFAOYSA-N	461.632	2.233	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1	848945401	PEGZZOOSMSGIHJ-UHFFFAOYSA-N	477.542	2.403	70	20	JEID	
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1263790931	FGXSVSCPJWZQAQ-QFIPXVFZSA-N	484.553	2.488	70	20	JEID	
Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)cccc2c1	865205109	GJMCRFJUMLKSEP-UHFFFAOYSA-N	477.539	2.348	70	20	JEID	
COc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1OC	848946430	GBCCOQOIOJGYBS-UHFFFAOYSA-N	455.489	2.408	70	20	JEID	
COCCN(c1cccc(Br)n1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947606	ZBOMJVKTELSRSB-UHFFFAOYSA-N	453.311	2.344	70	20	JEID	
O=C(Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)c1cccc(S(=O)(=O)F)c1	1354032083	PTXNWHMOKIZRCG-UHFFFAOYSA-N	483.525	2.278	70	20	JEID	
COc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(OC)c1OC	848946598	PGEMYIILGOMDRT-UHFFFAOYSA-N	485.515	2.416	70	20	JEID	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)C[C@H](C)O1	865204370	QCPKMSXYTNZZJH-KBPBESRZSA-N	456.517	2.395	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	865204467	UWACTXHOKSZMHE-UHFFFAOYSA-N	484.527	2.155	70	20	JEID	
O=C(Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)N1CCSCC1	848944569	PPHMBGLRIXPLIC-UHFFFAOYSA-N	458.558	2.264	70	20	JEID	
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)c(C)c1C	1337666550	AJNUUBMFODGNNU-UHFFFAOYSA-N	471.576	2.362	70	20	JEID	
CCOc1cc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc(OCC)c1OCC	848944138	MKUDNXCOZYFDSC-UHFFFAOYSA-N	490.531	2.164	70	20	JEID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)N2CCCC2)cc1OC	848944762	YULTUBNWOKLNKB-UHFFFAOYSA-N	472.516	2.399	70	20	JEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	1516701137	GYFNOILLVMVWRW-SFHVURJKSA-N	452.529	2.342	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1	848948102	BQWHRLUBKKEOOO-UHFFFAOYSA-N	462.546	2.320	70	20	JEID	
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765672	QJCJUWBABUGCJT-SJORKVTESA-N	455.584	2.148	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1	848947517	UKQNUKMKTDAQOP-UHFFFAOYSA-N	474.513	2.217	70	20	JEID	
CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)sc2c1	848946221	SVKAJHZPJIOFFE-UHFFFAOYSA-N	450.516	2.159	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(Br)c2)cc1	848947941	RMQLKZINOSAODP-UHFFFAOYSA-N	480.337	2.140	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)c(Br)cn2)cc1	848949058	ULKINXJRFKLVNY-UHFFFAOYSA-N	480.337	2.140	70	20	JEID	
O=C(c1sccc1S(=O)(=O)N1CCc2ccccc2C1)N1CCN(CCN2CCCC2)CC1	218377793	SIRASQGISDYEGH-UHFFFAOYSA-N	488.679	2.349	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1	848946394	CWXMQYXTTMBXAH-UHFFFAOYSA-N	467.544	2.433	70	20	JEID	
CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1OC	848947061	QGEVRGFGGIDDKO-UHFFFAOYSA-N	487.575	2.226	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	865204412	RVDFSZOVQNCSGP-QGZVFWFLSA-N	471.488	2.435	70	20	JEID	
CN1CCC(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1	218270168	LMAUONYTBRSSMX-ZDUSSCGKSA-N	464.451	2.464	70	20	JEID	
O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1345450504	AFQHCIRSARDGDM-UHFFFAOYSA-N	459.297	2.321	70	20	JEID	
CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865205232	JKPHXCAGFYEWOY-UHFFFAOYSA-N	454.545	2.444	70	20	JEID	
CCOc1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc(OCC)c1OCC	848944197	RZJAGHHVFYDRGA-UHFFFAOYSA-N	490.531	2.164	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1	848944361	GAEXUHMZWQJPEP-UHFFFAOYSA-N	488.584	2.271	70	20	JEID	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N1CCOCC1	1354031680	IYRPDCCAFUMJPV-UHFFFAOYSA-N	472.516	2.017	70	20	JEID	
CN1CCN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1	218784294	KICDBUSZGABVIE-UHFFFAOYSA-N	472.655	2.440	70	20	JEID	
COc1ccccc1NC(=O)c1c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)n[nH]c1C	848947164	XQEORMXKGSNBFN-UHFFFAOYSA-N	468.488	2.438	70	20	JEID	
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC	216856207	BORPKVOKQZMNKV-HXUWFJFHSA-N	451.523	2.037	70	20	JEID	
CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1OC	848947030	OMDANKHWLFJWOJ-UHFFFAOYSA-N	487.575	2.226	70	20	JEID	
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945555	UFNGVHOCICIBGI-SFHVURJKSA-N	484.527	2.313	70	20	JEID	
COc1ccc([C@H](NC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C(C)C)cc1	217149576	DKKBLXRTQJMNCY-HSZRJFAPSA-N	469.611	2.396	70	20	JEID	
CC(C)(C)NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944398	HPSPABAFFRRNRY-UHFFFAOYSA-N	450.535	2.222	70	20	JEID	
Cc1cccc(C(=O)N2CCC(O)CC2)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944362	GATVUPFTPLMVMK-UHFFFAOYSA-N	456.517	2.051	70	20	JEID	
CN1CCN(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1	217060424	PGFNQNZNJNRHHB-UHFFFAOYSA-N	450.992	2.142	70	20	JEID	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)cc1	865204513	WGJGEMVCZWCXFM-UHFFFAOYSA-N	456.517	2.393	70	20	JEID	
CC[C@H](C)NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944802	AUYWXPHEIZPLSH-ZDUSSCGKSA-N	464.562	2.364	70	20	JEID	
CNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945258	MYDPQJDVAANFCX-UHFFFAOYSA-N	451.295	2.268	70	20	JEID	
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472198	LJYPYDIWLOUKMK-UHFFFAOYSA-N	488.563	2.014	70	20	JEID	
Nc1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc(Br)cc1C(=O)O	848945927	YAHUTDAXHWVISI-UHFFFAOYSA-N	453.267	2.189	70	20	JEID	
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CCS(=O)(=O)F)c([N+](=O)[O-])c1	883954563	RGKZZHKFMQDXHI-QGZVFWFLSA-N	466.447	2.059	70	20	JEID	
CCOc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947152	WZBFVACUUCIRSC-UHFFFAOYSA-N	457.549	2.296	70	20	JEID	
CC[C@H]1c2ccsc2CCN1C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149754	KUIFCNLBWKSHEO-SFHVURJKSA-N	457.625	2.471	70	20	JEID	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)N1CCCCC1	1336407167	STRAXJVYEPGVQB-UHFFFAOYSA-N	459.521	2.499	70	20	JEID	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)cc1OC	865204119	FYILYJQAJSZNFR-UHFFFAOYSA-N	486.543	2.401	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2=O)cc1	865204235	KSXRUUGKKNAXNH-HNNXBMFYSA-N	497.570	2.367	70	20	JEID	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123744087	VSJYTYMPJBSHOH-PBHICJAKSA-N	486.566	2.041	70	20	JEID	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865208430	JSCWLLYHXJKGSV-UHFFFAOYSA-N	472.516	2.017	70	20	JEID	
CCN(CC)Cc1nc(C2(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)CCCC2)no1	848948034	YCDHMZNSRYSROM-UHFFFAOYSA-N	460.553	2.317	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1	848946542	MMUTZEMCWWZBTF-UHFFFAOYSA-N	466.501	2.245	70	20	JEID	
CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(I)o3)cn2)CC1	218600806	CIJRRXCCVYUHIS-QPJJXVBHSA-N	452.296	2.361	70	20	JEID	
CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1336410835	PZSONPXZHZKDRL-UHFFFAOYSA-N	454.545	2.444	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1	848947962	UFBOBBJMFRKUBM-UHFFFAOYSA-N	461.294	2.489	70	20	JEID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C)c1S(=O)(=O)NC1CC1	848944868	DRJFDPGCWAHOLI-UHFFFAOYSA-N	462.546	2.203	70	20	JEID	
O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)ccc1F	865205719	PUSFUBAHYCYJBV-UHFFFAOYSA-N	453.467	2.397	70	20	JEID	
COc1cc(OC)c(Cn2nccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(OC)c1	848947225	BHFINWCJDSZXOS-UHFFFAOYSA-N	485.515	2.416	70	20	JEID	
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(S(=O)(=O)F)cc1	865204079	DURIEPZZRRMRGR-UHFFFAOYSA-N	497.526	2.066	70	20	JEID	
O=C(CNC(=O)c1cccc(S(=O)(=O)F)c1)Nc1ccc(I)cc1	1354886445	UWUNZTJNUCHZGL-UHFFFAOYSA-N	462.240	2.318	70	20	JEID	
COc1cc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2=O)cc(OC)c1OC	865204081	DUXYKVMPSJONMN-GFCCVEGCSA-N	452.460	2.362	70	20	JEID	
O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(S(=O)(=O)F)cc1	865209110	HQINXOSSMKDMMS-UHFFFAOYSA-N	458.508	2.457	70	20	JEID	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)C[C@@H](C)O1	865203879	SLUUYWBEBKLWKH-ZIAGYGMSSA-N	456.517	2.395	70	20	JEID	
Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)cc2)n1	848944979	DQUOYCMAQSLVJH-UHFFFAOYSA-N	486.528	2.045	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1	848946657	SJWNUKDRXPHDBT-UHFFFAOYSA-N	497.599	2.319	70	20	JEID	
Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)cc2)no1	848947487	RSIFHLSXKUKBPH-UHFFFAOYSA-N	475.501	2.243	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1	848947358	KGTJBPGSGOZQHE-UHFFFAOYSA-N	471.513	2.341	70	20	JEID	
COc1cc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2=O)cc(OC)c1OC	865204082	DUXYKVMPSJONMN-LBPRGKRZSA-N	452.460	2.362	70	20	JEID	
CC[C@H](C)NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945039	IFXYJHIQTVKYJN-LBPRGKRZSA-N	450.535	2.222	70	20	JEID	
O=C(Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)c1cccc(S(=O)(=O)F)c1	1120944779	YKNOWGBNXZKOHE-UHFFFAOYSA-N	477.486	2.272	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944393	HNWXVDWESPVOOI-UHFFFAOYSA-N	479.577	2.218	70	20	JEID	
O=C(COc1ccc(Br)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865207674	NVNISSDQUMVOHA-UHFFFAOYSA-N	485.331	2.471	70	20	JEID	
Cc1cc(I)cnc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947154	WZPBDNJUONOMCY-UHFFFAOYSA-N	456.258	2.454	70	20	JEID	
COc1ccc([C@@H](NC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C(C)C)cc1	217149564	DKKBLXRTQJMNCY-QHCPKHFHSA-N	469.611	2.396	70	20	JEID	
CN(C)S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848947484	RMMIFYUHWFQYCC-UHFFFAOYSA-N	456.926	2.049	70	20	JEID	
Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)N2CCOCC2)o1	217035411	GKZKCDZNWJWUAO-KRWDZBQOSA-N	450.333	2.270	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1	848945668	YDSSZMIUGDFNSX-AWEZNQCLSA-N	463.530	2.098	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1	1354031596	GRUVBFUHJKKKFO-UHFFFAOYSA-N	479.559	2.220	70	20	JEID	
C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C[C@@H](C)O1	848944554	ONDUOFJPGSHTAC-ZIAGYGMSSA-N	456.517	2.395	70	20	JEID	
N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1520865617	MFGNLWORUOTZBO-MRXNPFEDSA-N	455.309	2.458	70	20	JEID	
O=C(COc1ccc(Br)cc1)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1120944648	TUGGCVNOHROIAC-UHFFFAOYSA-N	485.331	2.471	70	20	JEID	
CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848944467	KJHLETSXYRJPFJ-UHFFFAOYSA-N	465.550	2.005	70	20	JEID	
CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944563	OXPKAPPKTRZBOZ-UHFFFAOYSA-N	450.535	2.224	70	20	JEID	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	865204582	ZLZMEEBXPDZUQX-UHFFFAOYSA-N	484.527	2.171	70	20	JEID	
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945492	SGGIUBALKRQEJC-UHFFFAOYSA-N	480.561	2.231	70	20	JEID	
O=C(Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)c1ccc(S(=O)(=O)F)cc1	865208760	WAJDYGAJBCYHPD-UHFFFAOYSA-N	477.486	2.272	70	20	JEID	
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CCS(=O)(=O)F)c([N+](=O)[O-])c1	883954562	RGKZZHKFMQDXHI-KRWDZBQOSA-N	466.447	2.059	70	20	JEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	865210204	WKJPRQAMEGPMQC-SFHVURJKSA-N	452.529	2.342	70	20	JEID	
O=C(O)c1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944321	DAPRQJGVQZWUCH-UHFFFAOYSA-N	460.530	2.397	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1	848947486	RRUWGWBFNXCNBL-UHFFFAOYSA-N	471.513	2.341	70	20	JEID	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C)n1-c1ccccc1	848944238	YLCXPZZGOSEOCS-UHFFFAOYSA-N	451.501	2.376	70	20	JEID	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123744094	VSJYTYMPJBSHOH-YOEHRIQHSA-N	486.566	2.041	70	20	JEID	
N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1520865615	MFGNLWORUOTZBO-INIZCTEOSA-N	455.309	2.458	70	20	JEID	
CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCOCC1	865204226	KGTDPFPTEVNXPF-UHFFFAOYSA-N	456.517	2.180	70	20	JEID	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)C[C@@H](C)O1	865204372	QCPKMSXYTNZZJH-ZIAGYGMSSA-N	456.517	2.395	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944200	SDDXMIKFYJUYTC-UHFFFAOYSA-N	480.561	2.185	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1	848944247	ZVNRDGKEIUOSRM-UHFFFAOYSA-N	474.513	2.217	70	20	JEID	
CCOC(=O)c1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc(OC)c(OC)c1OC	848945271	NHCJKPXRRYTMBM-UHFFFAOYSA-N	477.488	2.348	70	20	JEID	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)c1C	1527339928	DEFJZOHVYHKZTQ-UHFFFAOYSA-N	457.549	2.053	70	20	JEID	
CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337361710	VHODIHAGBQNIKQ-MRXNPFEDSA-N	471.551	2.371	70	20	JEID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Br)cc1Cl	848945044	IMBQWPRNOPSMSE-UHFFFAOYSA-N	471.713	2.384	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944183	QRFNTEYAXHQTJK-UHFFFAOYSA-N	450.535	2.176	70	20	JEID	
CN1CCN(CCNC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1	217086326	FMNNOYRPGVMUGD-UHFFFAOYSA-N	481.416	2.227	70	20	JEID	
CS(=O)(=O)CCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945269	NDFCAKBTOJTMIH-UHFFFAOYSA-N	471.937	2.222	70	20	JEID	
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)cc1	865203897	BHAVLULXINKSIX-UHFFFAOYSA-N	451.501	2.256	70	20	JEID	
CC[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)n1nnc(-c2ccc(Cl)cc2)n1	218601680	DTZOVZZIXBEJLU-LJQANCHMSA-N	454.966	2.408	70	20	JEID	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)C[C@@H](C)O1	865203877	SLUUYWBEBKLWKH-OKILXGFUSA-N	456.517	2.395	70	20	JEID	
O=C(NC[C@@H]1CCCO1)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944686	VNQDMDOMGXXAIE-HNNXBMFYSA-N	457.505	2.446	70	20	JEID	
O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1346040397	FQRSTDVAGJDLNO-SNVBAGLBSA-N	459.297	2.321	70	20	JEID	
CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217414790	OAMYPLORVRVSKW-SESVDKBCSA-N	458.628	2.244	70	20	JEID	
O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cc(S(=O)(=O)F)c[nH]1	1346040549	JHPKUAPYNDKZJS-UHFFFAOYSA-N	469.491	2.221	70	20	JEID	
CCOC(=O)CN1C(=O)C(F)(F)c2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)ccc21	848946097	MQCAGJBTFGMOQX-UHFFFAOYSA-N	492.453	2.147	70	20	JEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	865206202	VPNBTLGSXRYMNQ-UHFFFAOYSA-N	497.389	2.316	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1	848944162	OACCQFFNVSWWPR-UHFFFAOYSA-N	489.572	2.396	70	20	JEID	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1I	848945475	RYKQULGVKHRKMS-UHFFFAOYSA-N	485.252	2.448	70	20	JEID	
Cc1c(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(=O)n(-c2ccccc2)n1C	865204569	ZACJYBUSRQTXJW-UHFFFAOYSA-N	492.554	2.453	70	20	JEID	
COc1cc(C(=O)O)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1OC(F)F	848944425	IQSXAJZKNHXHCE-UHFFFAOYSA-N	455.388	2.454	70	20	JEID	
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)F)cc2)(S(C)(=O)=O)CC1	865204676	FBVYZPDWVVKHQH-UHFFFAOYSA-N	464.537	2.098	70	20	JEID	
Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cc12	217025095	FVVXHLYQBLXVQQ-UHFFFAOYSA-N	453.568	2.264	70	20	JEID	
CN1CCC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C1	848946944	IWDQSCFDLPTPGQ-QGZVFWFLSA-N	469.560	2.312	70	20	JEID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(COc2ccccc2)o1	848944449	JLLMQFSGUYFWCV-UHFFFAOYSA-N	454.457	2.140	70	20	JEID	
CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865210138	UDFSYEFKXPJSNS-MRXNPFEDSA-N	471.551	2.371	70	20	JEID	
CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848946414	FGVDOVNEWXAIGK-UHFFFAOYSA-N	457.549	2.217	70	20	JEID	
NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)cn2)c1	848944384	GYCBOXRHDRSGEL-UHFFFAOYSA-N	451.457	2.432	70	20	JEID	
Cc1cc(CN2CCN(C(=O)[C@@H](C)N3C(=O)c4ccc(Br)cc4C3=O)CC2)no1	218392793	QBJXGLLAKVSAJM-CYBMUJFWSA-N	461.316	2.074	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	848944246	ZSKWEHPHHJWAFC-UHFFFAOYSA-N	462.546	2.320	70	20	JEID	
COc1cc(CN2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc(OC)c1OC	1262733063	DSTHEWVMYBQVND-UHFFFAOYSA-N	452.504	2.329	70	20	JEID	
CC(C)N(C)S(=O)(=O)c1ccc(N(C)S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945825	UPEOBDDWRZSQAH-UHFFFAOYSA-N	464.562	2.199	70	20	JEID	
COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945707	ZXIMMUSNEBSLFD-UHFFFAOYSA-N	453.473	2.426	70	20	JEID	
CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121032284	NQJAKGOMBDDPDG-UHFFFAOYSA-N	457.549	2.165	70	20	JEID	
CN1CCN(CCNC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)CC1	217060524	OLPILJXTJKJSIL-UHFFFAOYSA-N	475.387	2.444	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944670	UMINJVJUNIOMIX-UHFFFAOYSA-N	476.573	2.127	70	20	JEID	
CC(C)(C)NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944770	ZCJNRIVJNXDLEQ-UHFFFAOYSA-N	464.562	2.364	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	848947434	OKAHTAOUVCKDPW-UHFFFAOYSA-N	462.546	2.320	70	20	JEID	
CN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1Cl	848947584	XVZQBNFRLRDELQ-UHFFFAOYSA-N	456.926	2.049	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	865204411	RVDFSZOVQNCSGP-KRWDZBQOSA-N	471.488	2.435	70	20	JEID	
Nc1c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc(Br)cc1C(=O)O	848944964	DGCHLRRVENWDLY-UHFFFAOYSA-N	453.267	2.189	70	20	JEID	
CN1CCN(c2ccc(CNC(=O)Cc3csc(NC(=O)c4cccs4)n3)cn2)CC1	218101186	KAWXNTPLOOGTOG-UHFFFAOYSA-N	456.597	2.463	70	20	JEID	
O=C(NC[C@H]1CCCO1)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944687	VNQDMDOMGXXAIE-OAHLLOKOSA-N	457.505	2.446	70	20	JEID	
CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)CC1	1347457983	QPYAJXWVGINZAP-UHFFFAOYSA-N	451.476	2.341	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1sccc1S(=O)(=O)N1CCSCC1	865203822	AEFRDIAMQKRTPQ-UHFFFAOYSA-N	450.560	2.396	70	20	JEID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1-n1nnnc1C1CC1	848944903	GASWLUACMBHRPK-UHFFFAOYSA-N	453.477	2.007	70	20	JEID	
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865207931	ZCJYXOLNKZUBEZ-UHFFFAOYSA-N	469.579	2.352	70	20	JEID	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)C[C@@H](C)O1	865204371	QCPKMSXYTNZZJH-OKILXGFUSA-N	456.517	2.395	70	20	JEID	
CN1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)CC1	217060275	CQYWZZRMSADGJC-UHFFFAOYSA-N	477.030	2.064	70	20	JEID	
Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1C	848944703	WENXGKGLLKLWEY-UHFFFAOYSA-N	450.535	2.013	70	20	JEID	
COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765705	QJCJUWBABUGCJT-IRXDYDNUSA-N	455.584	2.148	70	20	JEID	
CS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	216800634	FWRNGUBSEGMMNI-UHFFFAOYSA-N	459.387	2.364	70	20	JEID	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347809070	HXUPARAQBNYDKW-UHFFFAOYSA-N	459.521	2.499	70	20	JEID	
CN1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)CC1	217060472	UXRYBBNABMEQRM-UHFFFAOYSA-N	477.030	2.459	70	20	JEID	
O=C(Nc1nc(CN2CCN(c3ccccn3)CC2)cs1)c1cc(S(=O)(=O)F)c[nH]1	1123616030	CZIKIYVKVJOIHA-UHFFFAOYSA-N	450.521	2.099	70	20	JEID	
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1263790930	FGXSVSCPJWZQAQ-JOCHJYFZSA-N	484.553	2.488	70	20	JEID	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)C[C@H](C)O1	865203875	SLUUYWBEBKLWKH-KBPBESRZSA-N	456.517	2.395	70	20	JEID	
CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149744	KUIFCNLBWKSHEO-GOSISDBHSA-N	457.625	2.471	70	20	JEID	
COCCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945434	QLIZJFQFARJFNO-UHFFFAOYSA-N	450.897	2.175	70	20	JEID	
O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)ccc1F	1336414092	UEKBVRLQLXFTSH-UHFFFAOYSA-N	453.467	2.397	70	20	JEID	
O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cc(S(=O)(=O)F)c[nH]1	1337667572	SVXJQRFPDAEXMB-UHFFFAOYSA-N	461.494	2.464	70	20	JEID	
CN1CCN(CCNC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)CC1	217060371	YRKXXLIUBQNTCP-UHFFFAOYSA-N	468.982	2.281	70	20	JEID	
CN1CCN(CCNC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC1	217060123	HVMBPTMTZNMGEN-UHFFFAOYSA-N	450.992	2.142	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(Br)ccc2-n2cncn2)cc1	848944363	GDIZQSQAFFZZOQ-UHFFFAOYSA-N	461.294	2.489	70	20	JEID	
CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337361634	VHODIHAGBQNIKQ-INIZCTEOSA-N	471.551	2.371	70	20	JEID	
CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(F)c1	848945950	GJCAFPBBRCYZOI-UHFFFAOYSA-N	454.498	2.436	70	20	JEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	865210203	WKJPRQAMEGPMQC-GOSISDBHSA-N	452.529	2.342	70	20	JEID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1)C(F)F	217097042	ASIFBMZSXMGBKP-UHFFFAOYSA-N	466.478	2.468	70	20	JEID	
O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)Nc1ccnn1Cc1ccccc1Cl	217149836	AZXORUQEXZSYOV-UHFFFAOYSA-N	498.012	2.411	70	20	JEID	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123744092	VSJYTYMPJBSHOH-WMLDXEAASA-N	486.566	2.041	70	20	JEID	
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945554	UFNGVHOCICIBGI-GOSISDBHSA-N	484.527	2.313	70	20	JEID	
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1	1123467473	DYPJIBNHKISSMG-UHFFFAOYSA-N	457.549	2.117	70	20	JEID	
CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1	1346797250	VLHYDHBPCYRNOQ-UHFFFAOYSA-N	482.538	2.035	70	20	JEID	
O=c1cc(CN2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)nc2sccn12	217098184	PIDZQMHUWLYDFF-HXUWFJFHSA-N	450.564	2.467	70	20	JEID	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCN3CCCC3)CC2)c(C)c1	218379181	NQCLDPFTDFQVRS-QFIPXVFZSA-N	462.660	2.005	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	865204299	NOJYMPIHZRAWIL-UHFFFAOYSA-N	451.501	2.144	70	20	JEID	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCN3CCCC3)CC2)c(C)c1	218379107	NQCLDPFTDFQVRS-JOCHJYFZSA-N	462.660	2.005	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	865203651	JAPCMLHJZHPWSD-UHFFFAOYSA-N	462.908	2.271	70	20	JEID	
CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2C)C1=O	865211117	YEMRISKQHJYFSL-UHFFFAOYSA-N	455.489	2.243	70	20	JEID	
Cc1noc(CCC(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1	218321423	LTIHFMHOVWWRJQ-UHFFFAOYSA-N	460.494	2.025	70	20	JEID	
CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3cccc(S(=O)(=O)F)c3)cn2)CC1	1337361721	VLERUNPMHPGYDE-UHFFFAOYSA-N	465.507	2.444	70	20	JEID	
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nnn1CCOc1ccc(F)cc1	848945912	XSLKMGRVFDEHKD-UHFFFAOYSA-N	458.468	2.264	70	20	JEID	
C[C@]1(C2CC2)NC(=O)N(c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)C1=O	848945483	OTVQDKUQVHROIR-LJQANCHMSA-N	467.500	2.371	70	20	JEID	
CN(CC(=O)Nc1ccc(S(=O)(=O)F)cc1)S(=O)(=O)c1ccc(Br)cc1	865204484	VLXXSNWAMYXIQV-UHFFFAOYSA-N	465.322	2.367	70	20	JEID	
COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338067562	IHBWAGRUGMLHQY-HNNXBMFYSA-N	472.292	2.431	70	20	JEID	
COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338067646	IHBWAGRUGMLHQY-OAHLLOKOSA-N	472.292	2.431	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1	848945669	YDSSZMIUGDFNSX-CQSZACIVSA-N	463.530	2.098	70	20	JEID	
CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347809593	MHKDXOBVQLLQTR-UHFFFAOYSA-N	488.563	2.158	70	20	JEID	
CC(C)[C@H](C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C[C@H](C)O[C@H](C)C1	216782376	AFUNFCBHGQTBMY-KGVIQGDOSA-N	451.011	2.239	70	20	JEID	
CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CCC(=O)NC1=O	848944304	CHRWJBDWTUNXTA-IBGZPJMESA-N	454.501	2.230	70	20	JEID	
CC[C@@H](C)NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945038	IFXYJHIQTVKYJN-GFCCVEGCSA-N	450.535	2.222	70	20	JEID	
COc1ccc(S(=O)(=O)C(F)(F)F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944405	HUTCDXBWXYOZPT-UHFFFAOYSA-N	477.435	2.448	70	20	JEID	
CC[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)n1nnc(-c2ccc(Cl)cc2)n1	218601608	DTZOVZZIXBEJLU-IBGZPJMESA-N	454.966	2.408	70	20	JEID	
CN1CCC(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1	218270116	LMAUONYTBRSSMX-CYBMUJFWSA-N	464.451	2.464	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)NCc2ccco2)cc1	848948106	BVBSOUJKTGVHHJ-UHFFFAOYSA-N	474.513	2.217	70	20	JEID	
CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(=O)(=O)c1ccc(Br)cc1	1516701981	QVLWOYUPLAQIGG-UHFFFAOYSA-N	467.338	2.418	70	20	JEID	
CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944995	HFMTTYKUFMFVCX-UHFFFAOYSA-N	480.561	2.183	70	20	JEID	
O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1349547692	YRUMQZHRJDCMQF-UHFFFAOYSA-N	464.302	2.343	70	20	JEID	
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765636	QJCJUWBABUGCJT-DLBZAZTESA-N	455.584	2.148	70	20	JEID	
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)Nc1ccnn1Cc1cccs1	217146643	SLXCULHVLJXPCD-UHFFFAOYSA-N	481.550	2.216	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)cc1	848946093	MGVVXXFAKIZSJN-UHFFFAOYSA-N	463.530	2.098	70	20	JEID	
COc1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1OCCC(C)C	848944760	YTWWWDNRVAPLQZ-UHFFFAOYSA-N	474.532	2.402	70	20	JEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	865206058	RILOGCGWTFBIEK-UHFFFAOYSA-N	452.938	2.206	70	20	JEID	
O=C(CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1)N1CCCCC1	217123951	JMRDIHMSBRNGPA-UHFFFAOYSA-N	456.974	2.320	70	20	JEID	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)o1	865204073	DQEVWGGHFXGDSD-UHFFFAOYSA-N	488.515	2.154	70	20	JEID	
C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C[C@H](C)O1	848944552	ONDUOFJPGSHTAC-KBPBESRZSA-N	456.517	2.395	70	20	JEID	
Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)n1	848945308	LNQSEFYBCCUBBX-UHFFFAOYSA-N	486.528	2.045	70	20	JEID	
CC(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945497	SKZJHWSHSAPXSD-UHFFFAOYSA-N	464.562	2.470	70	20	JEID	
Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cccc(S(=O)(=O)F)c4)CC3)cccc2c1	1336922794	WDCURNDEFGLJQA-UHFFFAOYSA-N	477.539	2.348	70	20	JEID	
CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944266	AWHFYGLQJNKUOH-UHFFFAOYSA-N	465.550	2.005	70	20	JEID	
COc1ccc(C(=O)N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1OC	216856357	DGAXXKROAQRKIB-UHFFFAOYSA-N	465.506	2.065	70	20	JEID	
Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1	216871468	FNADHNBVBKNGRP-SCLBCKFNSA-N	461.925	2.244	70	20	JEID	
Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)N2CCOCC2)o1	217035371	GKZKCDZNWJWUAO-QGZVFWFLSA-N	450.333	2.270	70	20	JEID	
O=C(c1oc2ccccc2c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1	848944254	AFNCWYDBGOYTCZ-UHFFFAOYSA-N	468.484	2.364	70	20	JEID	
O=C(O)c1cc(I)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945724	SCKGRIYOTNQIEL-UHFFFAOYSA-N	485.252	2.448	70	20	JEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	1337726630	PGEIWOMBOFAEQI-UHFFFAOYSA-N	497.389	2.316	70	20	JEID	
COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2=O)cc1OC	865204319	ODYYOQGVIVMXRU-OAHLLOKOSA-N	450.488	2.392	70	20	JEID	
O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1346040395	FQRSTDVAGJDLNO-JTQLQIEISA-N	459.297	2.321	70	20	JEID	
CN1CCC(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	217932994	XDCHRUIPZBVRMQ-HNNXBMFYSA-N	458.422	2.402	70	20	JEID	
O=C(CNC(=O)c1ccc(S(=O)(=O)F)cc1)Nc1ccc(I)cc1	865211171	ZHUGTUWSJHFXMR-UHFFFAOYSA-N	462.240	2.318	70	20	JEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1	865203974	BTXGNMYZNHDPLZ-UHFFFAOYSA-N	461.924	2.433	70	20	JEID	
CS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	216800222	RAIKWUMJVCTAER-UHFFFAOYSA-N	459.387	2.364	70	20	JEID	
CS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	216801242	WHSHCOHXHAZOHK-UHFFFAOYSA-N	465.416	2.425	70	20	JEID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)O)cc1OC(F)F	848944523	MVTIQIYGPYUFLS-UHFFFAOYSA-N	455.388	2.454	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	1345452595	XQRHDDVGSDSBOU-UHFFFAOYSA-N	470.331	2.126	70	20	JEID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCCC1	848944231	WYNPFGZCNJMCCV-UHFFFAOYSA-N	492.572	2.329	70	20	JEID	
C#Cc1cc(CN2CCN(C(=O)c3cccnc3-c3cnn(C)c3)[C@H](C)C2)cc(S(=O)(=O)F)c1	2088596136	UUCPZLCUSUOUPK-QGZVFWFLSA-N	481.553	2.468	70	20	JEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	1516701135	GYFNOILLVMVWRW-GOSISDBHSA-N	452.529	2.342	70	20	JEID	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(S(=O)(=O)F)cc1)n2C	865204101	FKVYAZSUJBDPEX-UHFFFAOYSA-N	468.532	2.053	70	20	JEID	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)C1=O	848945482	OTVQDKUQVHROIR-IBGZPJMESA-N	467.500	2.371	70	20	JEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	865205267	BSOAZJDEFVVDKQ-UHFFFAOYSA-N	491.360	2.254	70	20	JEID	
CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2[N+](=O)[O-])CC1	865204595	ZYFBAVSMQBNPDD-UHFFFAOYSA-N	450.448	2.174	70	20	JEID	
O=C(O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1N1CCSCC1	848944482	LBWHVUYTDSOSKK-UHFFFAOYSA-N	460.530	2.397	70	20	JEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	1337726662	QPTRDQQYMMXWMJ-UHFFFAOYSA-N	491.360	2.254	70	20	JEID	
CN(c1cc(I)ccc1C(=O)O)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848946241	URAHAHZVQCNLJV-UHFFFAOYSA-N	499.279	2.473	70	20	JEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc1	848944474	KSNAWJZPLANPJA-UHFFFAOYSA-N	489.572	2.396	70	20	JEID	
CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)nc2)CC1	1336950176	XTIHXRHTZBIGBE-UHFFFAOYSA-N	453.496	2.377	70	20	JEID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ncc1I	848949051	UAJTYYRRPXVWMU-UHFFFAOYSA-N	456.258	2.454	70	20	JEID	
CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1521437305	DGMCULIFCDLOSP-UHFFFAOYSA-N	452.327	2.275	70	20	JEID	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)n1	1123567114	CZEFKPPMAPQLAA-UHFFFAOYSA-N	463.516	2.447	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(CCCc2nc(-c3cccs3)no2)CC1	1347458731	XSZFMWUGWUBGCY-UHFFFAOYSA-N	453.521	2.175	70	20	JEID	
O=c1n(Cc2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)nc2ccccn12	848944345	FFLHVPXFGRNGEJ-UHFFFAOYSA-N	462.484	2.003	70	20	JEID	
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1	1336413077	KFXBXHJMUYMRAX-AWEZNQCLSA-N	457.549	2.333	70	20	JEID	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	865203981	BVBDQGQLTYDCSU-UHFFFAOYSA-N	499.586	2.464	70	20	JEID	
COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1OC	216856179	BORPKVOKQZMNKV-FQEVSTJZSA-N	451.523	2.037	70	20	JEID	
CN1CCN(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1	217086448	CIQQAWNFDJWWLJ-UHFFFAOYSA-N	454.955	2.257	70	20	JEID	
CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3ccc(S(=O)(=O)F)cc3)cn2)CC1	865210085	RIKSHOIOHJZZGK-UHFFFAOYSA-N	465.507	2.444	70	20	JEID	
Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1S(N)(=O)=O	218071971	PEYWYZMEMLPZCI-UHFFFAOYSA-N	450.992	2.442	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	1336405213	CIRDGENHEKHTBN-UHFFFAOYSA-N	470.331	2.126	70	20	JEID	
O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(CCN2CCCC2)CC1	216831667	QWWFSWIZFQOROF-UHFFFAOYSA-N	477.403	2.065	70	20	JEID	
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944324	DCIRAWUNTKRNGQ-UHFFFAOYSA-N	464.562	2.483	70	20	JEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	1515237395	MMJZFDFJRSWGTQ-UHFFFAOYSA-N	470.331	2.126	70	20	JEID	
CCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCC1	848944628	SBTQYYPMLQJKQH-UHFFFAOYSA-N	492.572	2.329	70	20	JEID	
COc1ccccc1NC(=O)c1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n[nH]c1C	848946869	DYZXJQNIPCKJPK-UHFFFAOYSA-N	468.488	2.438	70	20	JEID	
CC(C)(C)NS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1F	848945461	RSAWFEHSQFQUEQ-UHFFFAOYSA-N	468.525	2.362	70	20	JEID	
COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2=O)cc1OC	865204318	ODYYOQGVIVMXRU-HNNXBMFYSA-N	450.488	2.392	70	20	JEID	
NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)c1	848944301	CEQCYGJCLCXGTH-UHFFFAOYSA-N	451.457	2.432	70	20	JEID	
Cc1cc(CN2CCN(C(=O)[C@H](C)N3C(=O)c4ccc(Br)cc4C3=O)CC2)no1	218392877	QBJXGLLAKVSAJM-ZDUSSCGKSA-N	461.316	2.074	70	20	JEID	
COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	848944586	QENPQSUBTPCOPB-UHFFFAOYSA-N	450.897	2.175	70	20	JEID