smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ncc(Br)cc2N1	848948243	KQLVDRVRAZSDNF-UHFFFAOYSA-N	450.267	1.650	70	20	JDID	
CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1262787979	OQLOJSJXLFYXEU-CYBMUJFWSA-N	460.528	1.699	70	20	JDID	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)F)c1	1515237126	DGNCKZSGCPLXHQ-UHFFFAOYSA-N	455.489	1.204	70	20	JDID	
Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848944083	HQCBHSKOYZAUJO-UHFFFAOYSA-N	485.544	1.389	70	20	JDID	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1C(=O)O	848945208	LGCUEBZCAIMABD-UHFFFAOYSA-N	452.463	1.215	70	20	JDID	
Cc1[nH]oc(=NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)cc2)c1C	848947451	PJFBDHAVYJKGGQ-UHFFFAOYSA-N	489.528	1.973	70	20	JDID	
COc1ccc(CNC(=O)c2c[nH]nc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848947228	BJOLJIBFRWJOPR-UHFFFAOYSA-N	468.488	1.807	70	20	JDID	
COC[C@@](C)(CNC(=O)c1ccc(S(=O)(=O)F)cc1)NC(=O)c1ccc(S(=O)(=O)F)cc1	865207242	DNPCKAVJIIKSOU-LJQANCHMSA-N	490.506	1.568	70	20	JDID	
CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C(=O)C1	1346641944	OMZFMZMXJUZEPL-CYBMUJFWSA-N	458.512	1.357	70	20	JDID	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c2ccccc2c1=O	848944203	SHHFAJSLRDCLEF-UHFFFAOYSA-N	468.488	1.259	70	20	JDID	
CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1	848948431	UJGCBNZTCDVCNS-UHFFFAOYSA-N	451.523	1.617	70	20	JDID	
O=C(Cn1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1)NCc1ccccc1	848946579	OJYPCYBVSQVILY-UHFFFAOYSA-N	453.477	1.054	70	20	JDID	
CC(=O)N1CCN(Cc2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865209757	FTLWUZCEIOQHTH-UHFFFAOYSA-N	455.533	1.810	70	20	JDID	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944373	GOFZNYDCECYGRT-UHFFFAOYSA-N	471.532	1.542	70	20	JDID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)O)cc1S(C)(=O)=O	848945955	GPYIVFWUBJECJX-UHFFFAOYSA-N	467.474	1.256	70	20	JDID	
Cc1cccc(N2CCN(C(=O)CN3CCN(Cc4cc(=O)n5ccsc5n4)CC3)CC2)c1	217149809	HNRPUXSGYYRBCD-UHFFFAOYSA-N	466.611	1.531	70	20	JDID	
CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1	216799168	ABWZWZURLHNTIH-IBGZPJMESA-N	465.392	1.783	70	20	JDID	
Cn1c(=O)n(CCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21	217706757	QIMDVTLNPSSKTF-UHFFFAOYSA-N	460.531	1.792	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1	848946741	XWKVSSHCBKNFQD-UHFFFAOYSA-N	485.559	1.819	70	20	JDID	
CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(S(=O)(=O)F)c3)c2)CC1	1516702016	SBQGEHFBZSXWCI-UHFFFAOYSA-N	455.533	1.923	70	20	JDID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	865205715	JVHXQTRIIYDIPN-UHFFFAOYSA-N	452.529	1.980	70	20	JDID	
COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848945979	ZBDLIPHOSZXBBZ-CYBMUJFWSA-N	488.515	1.454	70	20	JDID	
CC(C)CCn1nc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c2ccccc2c1=O	848944099	JJFIEDSWPPQYKX-UHFFFAOYSA-N	496.542	1.724	70	20	JDID	
CN1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848948117	CIHSEDGMXRRIQX-HXUWFJFHSA-N	481.571	1.629	70	20	JDID	
O=C(NC[C@@H](O)COc1ccc(I)cc1)c1cc(S(=O)(=O)F)c[nH]1	1527978276	YKKMPJKOUNHONU-SNVBAGLBSA-N	468.244	1.447	70	20	JDID	
O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(CCN2CCCC2)CC1	218127504	HJOIPWSIHUPYJB-UHFFFAOYSA-N	462.392	1.789	70	20	JDID	
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	217000424	RMURVHHSLJCOCR-GGAORHGYSA-N	479.560	1.918	70	20	JDID	
COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944908	BCYQJFSOGSWZFP-CYBMUJFWSA-N	488.515	1.454	70	20	JDID	
CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944469	KKBXBVDETPIRMY-JZJYNLBNSA-N	475.545	1.958	70	20	JDID	
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848945396	OYLLYKHYKVGJHX-UHFFFAOYSA-N	474.517	1.287	70	20	JDID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	1354031198	COCQFRNYGRARTR-UHFFFAOYSA-N	470.529	1.496	70	20	JDID	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123525216	XXOUEVGGGSCBSU-UHFFFAOYSA-N	461.493	1.345	70	20	JDID	
CC(C)(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1	848944341	DYEUQLYZHWTSKL-UHFFFAOYSA-N	466.538	1.122	70	20	JDID	
O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1120866806	XBEYCRXJKZUKRV-GIDUJCDVSA-N	467.456	1.868	70	20	JDID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1	865206759	UHDGKNQLPXQVEI-UHFFFAOYSA-N	452.489	1.368	70	20	JDID	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2c1=O	848944248	ZYAGMPHCLYFZBL-UHFFFAOYSA-N	468.488	1.259	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cc1	848948401	SKNDJWJKFXHIEH-UHFFFAOYSA-N	464.518	1.167	70	20	JDID	
CC(C)(C)OC(=O)N1CCC(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	1349910948	NNEWFDQJWPESPS-UHFFFAOYSA-N	465.525	1.301	70	20	JDID	
C[C@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C[C@H](C)O1	848944120	LAYCFIGELTZXHS-KBPBESRZSA-N	492.572	1.944	70	20	JDID	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1	848947539	VRRPBWBWAFJIIB-UHFFFAOYSA-N	472.501	1.736	70	20	JDID	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)o1	865204294	NLMXPMKWLUNWDZ-CQSZACIVSA-N	474.488	1.906	70	20	JDID	
COc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Br	848944854	DLKWEAJQZFFFAO-UHFFFAOYSA-N	467.294	1.739	70	20	JDID	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1336921340	PUHBTXQQDWRFIA-UHFFFAOYSA-N	471.488	1.708	70	20	JDID	
COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944279	BJERRHSRZBZFDL-GFCCVEGCSA-N	466.534	1.459	70	20	JDID	
Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(S(=O)(=O)F)c4)CC3)C2=O)n(C)n1	1336954572	SCZBBFRCICWNFN-SFHVURJKSA-N	463.535	1.340	70	20	JDID	
COc1nc(N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)ncc1Br	865208571	OHDQKLZCAMJMHG-UHFFFAOYSA-N	459.297	1.868	70	20	JDID	
COCCN(C)S(=O)(=O)c1ccc(N(C)S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945333	LZNTZVSQLWEWOW-UHFFFAOYSA-N	480.561	1.437	70	20	JDID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1	1515237369	KZFYMRKJLYRROF-UHFFFAOYSA-N	452.489	1.368	70	20	JDID	
C[C@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C[C@@H](C)O1	848944121	LAYCFIGELTZXHS-OKILXGFUSA-N	492.572	1.944	70	20	JDID	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1337724310	DZIDANBAOOCWBH-UHFFFAOYSA-N	488.515	1.488	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	848944242	ZFYUMSUPJVZXNX-UHFFFAOYSA-N	464.518	1.167	70	20	JDID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(N2CCN(C(C)=O)CC2)n1	848946687	URAXTCPNYWIYRP-UHFFFAOYSA-N	472.520	1.218	70	20	JDID	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945394	OXFUQWAQJSSVFW-LBPRGKRZSA-N	458.489	1.827	70	20	JDID	
COc1ccc(CNS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848946135	OMWKSNTVCXGCNS-UHFFFAOYSA-N	452.507	1.203	70	20	JDID	
O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)Nc1ccc(OC(F)(F)F)cc1	1347189106	MKMFOROEPIIUOU-UHFFFAOYSA-N	478.424	1.968	70	20	JDID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	1347808994	HIWVVAIIPGXVTP-UHFFFAOYSA-N	452.529	1.980	70	20	JDID	
O=S(=O)(F)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1	848944407	IACMPDVCPQUXJE-UHFFFAOYSA-N	478.549	1.220	70	20	JDID	
NC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1	848944332	DKQVIWWNEYHUOU-UHFFFAOYSA-N	469.516	1.483	70	20	JDID	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)F)cc1	865203947	VTBAEBCGASDMGZ-UHFFFAOYSA-N	456.517	1.937	70	20	JDID	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(S(=O)(=O)F)cc1	865206021	QFYARQSROFHBJI-UHFFFAOYSA-N	455.489	1.204	70	20	JDID	
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945455	RIRJWJHTBWHKHK-UHFFFAOYSA-N	474.517	1.287	70	20	JDID	
O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865206227	ZPUWBYGCHCGEQG-UHFFFAOYSA-N	456.517	1.437	70	20	JDID	
COc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944675	VABRVZMQLOUJHB-UHFFFAOYSA-N	458.489	1.627	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1	848948405	SNOZPVJHYBSTNX-UHFFFAOYSA-N	482.508	1.306	70	20	JDID	
CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c1	1338390304	PJTWACISGKADNE-UHFFFAOYSA-N	454.501	1.347	70	20	JDID	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945393	OXFUQWAQJSSVFW-GFCCVEGCSA-N	458.489	1.827	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1	848944616	RINNRNWXZNMUSI-UHFFFAOYSA-N	452.482	1.825	70	20	JDID	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1OCC	1120786610	OOEGWUYAWCEVSC-UHFFFAOYSA-N	489.547	1.617	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1	848944510	MHJFBXLTUUVNBR-UHFFFAOYSA-N	476.451	1.986	70	20	JDID	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)o1	865204293	NLMXPMKWLUNWDZ-AWEZNQCLSA-N	474.488	1.906	70	20	JDID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	1515237557	OZJZYDGMIKXSFN-UHFFFAOYSA-N	466.434	1.909	70	20	JDID	
O=C(C1CC1)N1CCN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)CC1	848946431	GFQDRELCMSUQSR-UHFFFAOYSA-N	468.532	1.599	70	20	JDID	
C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765905	PFZGDOPZIJTCDY-LPHOPBHVSA-N	453.568	1.902	70	20	JDID	
O=C([C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2O1)N1CCOCC1	848948285	MLQRSYWKXNJBNS-SFHVURJKSA-N	470.500	1.160	70	20	JDID	
NS(=O)(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848949035	RZGYLSXXNUSKPE-UHFFFAOYSA-N	473.323	1.556	70	20	JDID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(F)cc1Br	848944468	KJIJATPRLNLLRZ-UHFFFAOYSA-N	455.258	1.870	70	20	JDID	
O=C(COc1ccc(Br)cc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121032334	OETKQXLMJYNTBX-UHFFFAOYSA-N	474.308	1.799	70	20	JDID	
Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944074	GRQKHAIDBMGZNJ-UHFFFAOYSA-N	485.544	1.389	70	20	JDID	
CC(C)(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)nc1	848944614	RGRIKVLWXBOUPP-UHFFFAOYSA-N	466.538	1.122	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	848947518	UKSNQYOFYIGDBD-UHFFFAOYSA-N	498.963	1.820	70	20	JDID	
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1340088891	SVXZEKHTBSKESW-UHFFFAOYSA-N	456.517	1.890	70	20	JDID	
COCCNc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945304	NZKZJWPKXDTMAS-UHFFFAOYSA-N	466.534	1.607	70	20	JDID	
CS(=O)(=O)c1ccc(OCCCO)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848945965	HBGOLLNNLXSEIJ-UHFFFAOYSA-N	467.518	1.310	70	20	JDID	
CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)no1	848947257	DISOLBPNTPCQNB-UHFFFAOYSA-N	450.470	1.596	70	20	JDID	
COCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944577	PTYKIILZRXKRLD-UHFFFAOYSA-N	452.507	1.070	70	20	JDID	
O=S(=O)(F)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)c1	848944337	DPWWWSIPDASPEV-UHFFFAOYSA-N	478.549	1.266	70	20	JDID	
C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1)n1cncn1	848944529	NFEOYAWQBHXXSO-GFCCVEGCSA-N	453.477	1.937	70	20	JDID	
C[C@@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)C[C@@H](C)O1	848944122	LAYCFIGELTZXHS-ZIAGYGMSSA-N	492.572	1.944	70	20	JDID	
COc1ccc(NC(=O)Cn2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)cc1	848944473	KOWAYUUMJRNVQI-UHFFFAOYSA-N	468.488	1.989	70	20	JDID	
CN(C)CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848947679	CVOZSAUWRKCGAW-UHFFFAOYSA-N	493.604	1.766	70	20	JDID	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1F	848944814	BIFNZBRGFRNFOQ-LLVKDONJSA-N	476.479	1.966	70	20	JDID	
COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944909	BCYQJFSOGSWZFP-ZDUSSCGKSA-N	488.515	1.454	70	20	JDID	
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865205791	RHGXRDRXIAGFQF-UHFFFAOYSA-N	488.515	1.488	70	20	JDID	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1OC	848944657	TYOOGONJZOGXDD-UHFFFAOYSA-N	452.507	1.916	70	20	JDID	
CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944573	PRMBJDQCZZWDLE-LVZFUZTISA-N	475.545	1.958	70	20	JDID	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCN4CCCC4)CC3)C2)s1	218556970	FSSHRRCTNYMRQP-IBGZPJMESA-N	454.662	1.697	70	20	JDID	
O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccc(S(=O)(=O)F)cc1	865205377	DXFSKXKAGKKZNO-CQSZACIVSA-N	476.529	1.063	70	20	JDID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1S(=O)(=O)N(C)C	848945650	XHCIDSBVMVXVIY-UHFFFAOYSA-N	452.507	1.405	70	20	JDID	
COc1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c(C(=O)O)cc1S(C)(=O)=O	848946260	VQXVJGIVLXXXIT-UHFFFAOYSA-N	467.474	1.256	70	20	JDID	
Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cc(S(=O)(=O)F)c[nH]4)CC3)cccc2c1	1336413775	QLFRRMMHDSCSDM-UHFFFAOYSA-N	466.516	1.676	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1	848944082	HOGWOULKXNWRIF-UHFFFAOYSA-N	461.518	1.616	70	20	JDID	
COC(=O)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944450	JLZBRMZKLULJLD-UHFFFAOYSA-N	458.489	1.769	70	20	JDID	
C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765832	PFZGDOPZIJTCDY-QFBILLFUSA-N	453.568	1.902	70	20	JDID	
Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(S(=O)(=O)F)c4)CC3)C2=O)n(C)n1	1336954571	SCZBBFRCICWNFN-GOSISDBHSA-N	463.535	1.340	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	1345450957	HQXAKTBZZSVSTN-UHFFFAOYSA-N	480.337	1.582	70	20	JDID	
CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944470	KKBXBVDETPIRMY-LVZFUZTISA-N	475.545	1.958	70	20	JDID	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c1C	217060622	YNZNUJZTIFLBIK-UHFFFAOYSA-N	450.649	1.685	70	20	JDID	
O=C(Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)c1cc(S(=O)(=O)F)c[nH]1	1121032753	XAWUTMWUJROMDE-UHFFFAOYSA-N	466.463	1.600	70	20	JDID	
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944877	FAPHYATXMVWECX-SNVBAGLBSA-N	462.452	1.576	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	1519746651	YJTFIWYZXPRSFY-UHFFFAOYSA-N	453.876	1.612	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	848947548	WHMHLXMHIXBMJU-UHFFFAOYSA-N	464.518	1.167	70	20	JDID	
CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848948116	CIHSEDGMXRRIQX-FQEVSTJZSA-N	481.571	1.629	70	20	JDID	
COC(=O)c1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848949009	QMUAVCGRTNANLH-UHFFFAOYSA-N	451.475	1.336	70	20	JDID	
O=C([C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2O1)N1CCOCC1	848948284	MLQRSYWKXNJBNS-GOSISDBHSA-N	470.500	1.160	70	20	JDID	
CN1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	218434099	JHQUWRAILSVAEK-UHFFFAOYSA-N	456.918	1.391	70	20	JDID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCOCC1	865203817	RGMIHIWMIILUHE-UHFFFAOYSA-N	458.489	1.627	70	20	JDID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O	865204253	LOSGQRZENGZXQR-AWEZNQCLSA-N	468.484	1.921	70	20	JDID	
C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765869	PFZGDOPZIJTCDY-VQIMIIECSA-N	453.568	1.902	70	20	JDID	
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCOCC1	865204312	NZFIPEGCYXHFCP-UHFFFAOYSA-N	472.516	1.556	70	20	JDID	
Cc1[nH]oc(=NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)c1C	848947301	GJECGKDNJKATDR-UHFFFAOYSA-N	489.528	1.973	70	20	JDID	
O=c1n(-c2cccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)c2)c(O)c(O)n1C1CC1	848944673	UWKXPVGJWQPZBY-UHFFFAOYSA-N	469.472	1.844	70	20	JDID	
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c1	865205375	DWRKMWSKRXACLT-UHFFFAOYSA-N	476.529	1.340	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	1354031569	FZRQQEGPFLDDKZ-UHFFFAOYSA-N	465.894	1.835	70	20	JDID	
CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c([N+](=O)[O-])c1	865206072	WRDWMAUQQPEKRK-UHFFFAOYSA-N	471.488	1.619	70	20	JDID	
COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848945981	ZBDLIPHOSZXBBZ-ZDUSSCGKSA-N	488.515	1.454	70	20	JDID	
CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944572	PRMBJDQCZZWDLE-JZJYNLBNSA-N	475.545	1.958	70	20	JDID	
CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C(=O)C1	1346641945	OMZFMZMXJUZEPL-ZDUSSCGKSA-N	458.512	1.357	70	20	JDID	
CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(F)(F)F)CC1	1337493052	ZZJKWIXFSFYWPJ-CYBMUJFWSA-N	472.461	1.886	70	20	JDID	
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865209013	FCDUGUNBHSTTGI-UHFFFAOYSA-N	456.517	1.890	70	20	JDID	
O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1121184802	IJCKTSDUNDCIHL-QGZVFWFLSA-N	452.479	1.931	70	20	JDID	
CCCCNC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848947418	NAGGJHPPWYREOQ-UHFFFAOYSA-N	493.560	1.934	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	1354031490	DPGJGVRODSSIFS-UHFFFAOYSA-N	455.411	1.237	70	20	JDID	
Cc1cccc(CN2CCN(C(=O)CN3CCN(CC(=O)NCc4ccccc4)CC3)CC2)c1	217799955	IZDGIXCDHPQIQM-UHFFFAOYSA-N	463.626	1.573	70	20	JDID	
CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944419	IKJPPGJXHHNASO-UHFFFAOYSA-N	465.550	1.828	70	20	JDID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCC1	848945190	JSZAJBBTRYLZKH-UHFFFAOYSA-N	478.545	1.939	70	20	JDID	
CCOC(=O)c1c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c(C#N)cn1CCOC	848948154	FGYPLJGKVMCNSB-UHFFFAOYSA-N	459.477	1.642	70	20	JDID	
CCOC(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc(S(C)(=O)=O)c1	848945443	QSWQLPBDCLRUFQ-UHFFFAOYSA-N	465.502	1.726	70	20	JDID	
CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c1	865207260	FINURGFVVWYMHR-UHFFFAOYSA-N	454.501	1.347	70	20	JDID	
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1	1527342002	WFVBSZNMYLPOKM-AWEZNQCLSA-N	472.539	1.604	70	20	JDID	
O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)Nc1ccnn1Cc1cccs1	217149824	TVBXMIHWEZRKPX-UHFFFAOYSA-N	469.596	1.819	70	20	JDID	
CCS(=O)(=O)c1ccc(C(=O)O)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848945178	KPQRKZTXISTNIQ-UHFFFAOYSA-N	451.475	1.637	70	20	JDID	
O=c1n(-c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)c(O)c(O)n1C1CC1	848944630	SDJBWZXYUWVCQP-UHFFFAOYSA-N	469.472	1.844	70	20	JDID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	1262673661	XJFDXDGVPWELJB-UHFFFAOYSA-N	457.461	1.400	70	20	JDID	
CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944312	CPGDHLPXIDGTDD-UHFFFAOYSA-N	451.523	1.615	70	20	JDID	
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947499	SMIGSDPDULEHJF-UHFFFAOYSA-N	465.550	1.462	70	20	JDID	
Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)C2=O)n(C)n1	865210175	VMOFQLIHQGJENE-GOSISDBHSA-N	463.535	1.340	70	20	JDID	
CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848944317	CWIOYBKSEKHOIP-UHFFFAOYSA-N	451.523	1.615	70	20	JDID	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865204217	KAXWABYLYAQEAC-UHFFFAOYSA-N	458.489	1.627	70	20	JDID	
CC[C@@H]1c2ccsc2CCN1C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21	217158862	AKDCKEKGVYESBO-LLVKDONJSA-N	466.361	1.794	70	20	JDID	
O=C(Cn1ccc2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)ccc21)N1CCOCC1	848944315	CTJWFSRUSKSUQI-UHFFFAOYSA-N	481.527	1.959	70	20	JDID	
NS(=O)(=O)c1ccc(Br)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948792	HTDGTKKIZCDHBH-UHFFFAOYSA-N	473.323	1.556	70	20	JDID	
CNS(=O)(=O)c1ccc(NCCOC)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848944812	BFDHRGJRYKCCQS-UHFFFAOYSA-N	481.549	1.112	70	20	JDID	
C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)n1cncn1	848944548	OJUXJNVQYPSKTN-GFCCVEGCSA-N	453.477	1.937	70	20	JDID	
COc1ccc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c(OC)c1OC	1262733094	FRRBPKGCYQYCNP-UHFFFAOYSA-N	466.487	1.969	70	20	JDID	
CCS(=O)(=O)c1ccc(C(=O)O)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945048	ITFSEYVTNBDHPT-UHFFFAOYSA-N	451.475	1.637	70	20	JDID	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)CC1	865204093	FDRYBQANXTWPHI-UHFFFAOYSA-N	469.516	1.450	70	20	JDID	
C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)n1cncn1	848944549	OJUXJNVQYPSKTN-LBPRGKRZSA-N	453.477	1.937	70	20	JDID	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1262673171	BXCWTYSRRMKDRC-UHFFFAOYSA-N	454.501	1.694	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1	848947454	PNVHKXDEDJCDCI-UHFFFAOYSA-N	468.532	1.897	70	20	JDID	
CN1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	848947117	UEXUYSARHOUQEV-UHFFFAOYSA-N	477.561	1.082	70	20	JDID	
O=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848944495	LSXPWGWUKWIYRQ-UHFFFAOYSA-N	484.487	1.026	70	20	JDID	
C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1)n1cncn1	848944530	NFEOYAWQBHXXSO-LBPRGKRZSA-N	453.477	1.937	70	20	JDID	
Cc1cccc(OCCNC(=O)[C@H](C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1	218766025	SINGEIKQIDXRKU-SFHVURJKSA-N	455.584	1.766	70	20	JDID	
CC(=O)N1CCN(Cc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848947604	YZPNEKLMDATVKC-UHFFFAOYSA-N	455.533	1.810	70	20	JDID	
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c(OC)c1OC	865208193	FFPDECNHUCSRGY-UHFFFAOYSA-N	466.487	1.969	70	20	JDID	
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1120944517	OFKXWFNSFUWQMO-UHFFFAOYSA-N	455.533	1.211	70	20	JDID	
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1	218765988	SINGEIKQIDXRKU-GOSISDBHSA-N	455.584	1.766	70	20	JDID	
COCCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848945584	VDWGMIOMBXTCEG-UHFFFAOYSA-N	451.519	1.956	70	20	JDID	
O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1120866807	XBEYCRXJKZUKRV-UUASQNMZSA-N	467.456	1.868	70	20	JDID	
COC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)CC1	848948734	GHJPCEHLRYLSIE-UHFFFAOYSA-N	458.493	1.429	70	20	JDID	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945573	UUTMKQMMNICZPP-UHFFFAOYSA-N	466.534	1.795	70	20	JDID	
CCCCCn1nc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c2ccccc2c1=O	848944028	ACWFJDTVNRRWKF-UHFFFAOYSA-N	496.542	1.868	70	20	JDID	
CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1	848944672	UQYYVZBNJWYAMV-UHFFFAOYSA-N	466.538	1.076	70	20	JDID	
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1	1527342006	WFVBSZNMYLPOKM-CQSZACIVSA-N	472.539	1.604	70	20	JDID	
COCCOc1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c(C(=O)O)cc1OC	848944253	AFJOHZFSUNTRGG-UHFFFAOYSA-N	463.461	1.878	70	20	JDID	
COC[C@](C)(CNC(=O)c1ccc(S(=O)(=O)F)cc1)NC(=O)c1ccc(S(=O)(=O)F)cc1	865207240	DNPCKAVJIIKSOU-IBGZPJMESA-N	490.506	1.568	70	20	JDID	
COC[C@](C)(CNC(=O)c1cccc(S(=O)(=O)F)c1)NC(=O)c1cccc(S(=O)(=O)F)c1	1121032607	UVOAVCWCURHKRF-IBGZPJMESA-N	490.506	1.568	70	20	JDID	
O=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944597	QNHYWGKSFZWERS-UHFFFAOYSA-N	484.487	1.026	70	20	JDID	
CN1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1	218435347	WCHIMJDBQUTCDR-AWEZNQCLSA-N	479.466	1.275	70	20	JDID	
CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cn2)CC1	1349233961	JNHRGMULQHYDKW-UHFFFAOYSA-N	454.484	1.772	70	20	JDID	
Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3ccc(S(=O)(=O)F)cc3)CC2)c1	865204305	NTWIFQYQVFNGPB-UHFFFAOYSA-N	455.533	1.744	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1	1351021909	FLTXZSAVHFCZSQ-UHFFFAOYSA-N	455.942	1.925	70	20	JDID	
O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccnn1Cc1ccccc1Cl	217146066	SPSFOTPHXRHTTI-KRWDZBQOSA-N	451.980	1.328	70	20	JDID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	865205863	NTNHORXUDNKXQO-UHFFFAOYSA-N	466.434	1.909	70	20	JDID	
CCCn1nc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c2ccccc2c1=O	848944151	NIYQNQNIQCSTPV-UHFFFAOYSA-N	468.488	1.088	70	20	JDID	
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944876	FAPHYATXMVWECX-JTQLQIEISA-N	462.452	1.576	70	20	JDID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)NC1CC1	848944793	AGEMYPSEJNVRAX-UHFFFAOYSA-N	464.518	1.595	70	20	JDID	
CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)nc1	848944409	IBIDXVWKEQHLID-UHFFFAOYSA-N	466.538	1.076	70	20	JDID	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2)cc1	217282438	RRZOYQRJVIXKJT-UHFFFAOYSA-N	456.524	1.307	70	20	JDID	
O=C(NC[C@H](O)COc1ccc(I)cc1)c1cc(S(=O)(=O)F)c[nH]1	1527978263	YKKMPJKOUNHONU-JTQLQIEISA-N	468.244	1.447	70	20	JDID	
O=S(=O)(F)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)c1	848944489	LJRHTRVIWZKDGM-UHFFFAOYSA-N	487.516	1.241	70	20	JDID	
Cn1c(=O)c2nc(Br)n(Cc3ccc(S(=O)(=O)C(F)F)cc3)c2n(C)c1=O	216870792	ISUDNERTYLDSQT-UHFFFAOYSA-N	463.260	1.241	70	20	JDID	
CNS(=O)(=O)c1ccc(NCCOC)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945571	URVUGRRRGCPZAL-UHFFFAOYSA-N	481.549	1.112	70	20	JDID	
CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1	216799208	ABWZWZURLHNTIH-LJQANCHMSA-N	465.392	1.783	70	20	JDID	
C[C@H](C(=O)N1CCN(CCN2CCCC2)CC1)N1C(=O)c2ccc(Br)cc2C1=O	218376022	HDTQMRFNFPBAPZ-OAHLLOKOSA-N	463.376	1.674	70	20	JDID	
COCCOc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945129	HEUDOJZSTYPQKK-UHFFFAOYSA-N	467.518	1.574	70	20	JDID	
COc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)c(OC)c1OC	1120944431	MQAUSRVPLNIDMU-UHFFFAOYSA-N	455.464	1.297	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3=NCCC3)cc2)cc1	848944701	WEFUVNYUSXNFAG-UHFFFAOYSA-N	461.518	1.616	70	20	JDID	
O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1336411152	YZKZIXNEWXCSMK-UHFFFAOYSA-N	456.517	1.437	70	20	JDID	
CCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1F	848944815	BIFNZBRGFRNFOQ-NSHDSACASA-N	476.479	1.966	70	20	JDID	
CN1CCN(CCOc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848946985	LMTZYWUUTVYDNP-UHFFFAOYSA-N	457.549	1.772	70	20	JDID	
COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944280	BJERRHSRZBZFDL-LBPRGKRZSA-N	466.534	1.459	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1	848944886	AWCHMXILKXYFJV-UHFFFAOYSA-N	478.545	1.291	70	20	JDID	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1OC	865203675	KCDGDAGHEQUSTA-UHFFFAOYSA-N	488.515	1.635	70	20	JDID	
O=C(Cn1cnc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)n1)NCc1ccccc1	848946653	SJFRATYVEBYTEZ-UHFFFAOYSA-N	453.477	1.054	70	20	JDID	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865205757	LBCWVFWUAULDBL-UHFFFAOYSA-N	454.501	1.694	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	1336922359	RRSQUDUYLBMNCC-UHFFFAOYSA-N	480.337	1.582	70	20	JDID	
COCCOc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)O)cc1OC	848944483	LCAVCCMYQWHXHD-UHFFFAOYSA-N	463.461	1.878	70	20	JDID	
Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1	1123830338	TZPRMYLWYJLGGJ-UHFFFAOYSA-N	463.534	1.294	70	20	JDID	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1339471051	CDHAHCCSJLAQQP-UHFFFAOYSA-N	484.527	1.668	70	20	JDID	
COc1ccc(S(=O)(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944747	YBUONBQHSYSHAK-UHFFFAOYSA-N	464.518	1.595	70	20	JDID	
CN1CCCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	848947176	YGPFMWJRXZNTAN-UHFFFAOYSA-N	491.588	1.472	70	20	JDID	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)N1CCOCC1	1263697004	INNCEGPUVIGBEZ-UHFFFAOYSA-N	461.493	1.345	70	20	JDID	
Cc1cccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)CC2)c1	217146629	IFXVOYCWKSYEAS-UHFFFAOYSA-N	478.565	1.928	70	20	JDID	
O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848947188	ZBGFWLMLZSKQLX-UHFFFAOYSA-N	457.505	1.416	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)cc1	848944394	HNYYAVKMBMJAPI-UHFFFAOYSA-N	487.516	1.241	70	20	JDID	
COc1ccc2c(c1)CCCN2C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149767	QKWNKZKKFVCWOS-UHFFFAOYSA-N	453.568	1.862	70	20	JDID	
CN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848944756	YOMPOYXDWGALBH-UHFFFAOYSA-N	455.533	1.462	70	20	JDID	
CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c([N+](=O)[O-])c1	1347809940	OTIZIGKOVJCQFG-UHFFFAOYSA-N	471.488	1.619	70	20	JDID	
CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2c1=O	848944089	IEWQBQFKZZOTLI-UHFFFAOYSA-N	496.542	1.868	70	20	JDID	
COc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N1CCOCC1	1515237616	RDTZQIIEDOIGKT-UHFFFAOYSA-N	458.489	1.627	70	20	JDID	
CC[C@H]1c2ccsc2CCN1C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21	217158869	AKDCKEKGVYESBO-NSHDSACASA-N	466.361	1.794	70	20	JDID	
O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccnn1Cc1ccccc1Cl	217146057	SPSFOTPHXRHTTI-QGZVFWFLSA-N	451.980	1.328	70	20	JDID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	865205149	AGXRGVAYTGTDTN-UHFFFAOYSA-N	457.461	1.400	70	20	JDID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1S(=O)(=O)N1CCCC1	848944807	AYIAEFKMTWMWQH-UHFFFAOYSA-N	478.545	1.939	70	20	JDID	
NC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848944783	ZUCVITZUDDLWLD-UHFFFAOYSA-N	469.516	1.483	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cc1	848945476	SALNORQNAGBDOL-UHFFFAOYSA-N	450.491	1.391	70	20	JDID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	865206060	RKMFIKMFXQVOSJ-UHFFFAOYSA-N	470.529	1.496	70	20	JDID	
O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865210445	FULVCIAEKZPGLA-QGZVFWFLSA-N	452.479	1.931	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	848944189	RMAUTMORHLKBRR-UHFFFAOYSA-N	482.508	1.306	70	20	JDID	
COC(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc(S(C)(=O)=O)c1	848945391	OWUKAGDTQKWMID-UHFFFAOYSA-N	451.475	1.336	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	848947302	GREZVVQABNIKEY-UHFFFAOYSA-N	472.501	1.736	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	1347810117	SKSPMAPTPCWFFZ-UHFFFAOYSA-N	451.501	1.973	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)cc1	848944539	NTMWYEBMKZERMA-UHFFFAOYSA-N	478.549	1.266	70	20	JDID	
CCN1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	848946816	AZKQGLXIAISWPE-UHFFFAOYSA-N	491.588	1.472	70	20	JDID	
CC(=O)N1CCN(Cc2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	848948474	WNISZIJOCFDBBR-UHFFFAOYSA-N	455.533	1.810	70	20	JDID	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	865204328	OPAUNHRSGQYJGP-UHFFFAOYSA-N	474.532	1.881	70	20	JDID	
COc1ccc(C(=O)N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1OC	216856022	ZNNXNDZSJHCEPY-UHFFFAOYSA-N	451.479	1.675	70	20	JDID	
O=C(NNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	1346209495	RHHOTTDOECPECN-UHFFFAOYSA-N	454.443	1.995	70	20	JDID	
O=S1(=O)CC[C@@H](n2nc(C3CC3)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	848947074	QSWZKFOIWZZFKZ-GFCCVEGCSA-N	463.534	1.579	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1	848944422	IPEZDRZCMHEVJJ-UHFFFAOYSA-N	478.549	1.220	70	20	JDID	
CCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N(C)C	848944664	UFMUFESMFJNFOB-UHFFFAOYSA-N	466.534	1.795	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1	848945590	VGKMNJRWLMAFDY-UHFFFAOYSA-N	478.530	1.798	70	20	JDID	
COc1nc(N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)ncc1Br	1336954562	RXXNNBXSQLQDCF-UHFFFAOYSA-N	459.297	1.868	70	20	JDID	
CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)CC1	848947005	MYZBVZGSGHUHIO-UHFFFAOYSA-N	490.539	1.321	70	20	JDID	
CN(C)CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848947830	LRECGMIKLFGOMT-UHFFFAOYSA-N	493.604	1.766	70	20	JDID	
CN(C)S(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)CCC2	848944789	ABSMZIHFPDXIII-UHFFFAOYSA-N	462.546	1.737	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1	848944790	ACUTZTPLBKDGDG-UHFFFAOYSA-N	474.557	1.881	70	20	JDID	
COC(=O)c1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc(S(C)(=O)=O)c1	848945490	SEKVKIHLNYWMPK-UHFFFAOYSA-N	451.475	1.336	70	20	JDID	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCN4CCCC4)CC3)C2)s1	218556891	FSSHRRCTNYMRQP-LJQANCHMSA-N	454.662	1.697	70	20	JDID	
C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765933	PFZGDOPZIJTCDY-APWZRJJASA-N	453.568	1.902	70	20	JDID	
CS(=O)(=O)c1ccccc1-n1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1	848945215	LQQMEMZSNHQTQS-UHFFFAOYSA-N	459.502	1.735	70	20	JDID	
Nc1c(Cl)c(Cl)nc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1Cl	848944161	NZMVUALKJTVBMB-UHFFFAOYSA-N	477.710	1.906	70	20	JDID	
CCN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848946971	KWAJAFBVUOBATN-UHFFFAOYSA-N	469.560	1.852	70	20	JDID	
CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	865206958	CKUBLCBAFLTDSP-UHFFFAOYSA-N	455.533	1.923	70	20	JDID	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865206255	WLKFBYMSCVUSFT-UHFFFAOYSA-N	484.527	1.668	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCn3ncc(I)c32)cc1	848949136	YKJDTTULTKKJEN-UHFFFAOYSA-N	457.246	1.355	70	20	JDID	
COCCCN(C(=O)c1ccc(S(=O)(=O)F)cc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	865206584	MTDAXKAUOMKFSA-UHFFFAOYSA-N	490.513	1.921	70	20	JDID	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	865205390	FKQQBVZJIAVOLU-UHFFFAOYSA-N	455.533	1.923	70	20	JDID	
CN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	217892344	RWDHSLWJIIKXLH-MRXNPFEDSA-N	473.437	1.213	70	20	JDID	
O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865210444	FULVCIAEKZPGLA-KRWDZBQOSA-N	452.479	1.931	70	20	JDID	
COC(=O)N1CCN(c2ccncc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1	848947907	PJZGIWXBUKOXQG-UHFFFAOYSA-N	458.493	1.429	70	20	JDID	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(S(=O)(=O)F)c3)c2)CC1	1515237641	SHADTKVCTVPQON-UHFFFAOYSA-N	455.533	1.923	70	20	JDID	
COC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848946458	HVFJWQRPRSCLNT-UHFFFAOYSA-N	471.532	1.441	70	20	JDID	
CN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1	218435261	WCHIMJDBQUTCDR-CQSZACIVSA-N	479.466	1.275	70	20	JDID	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1	848945605	VIXYVNDWLBSLGZ-UHFFFAOYSA-N	478.530	1.798	70	20	JDID	
CS(=O)(=O)c1ccc(OCCCO)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848946252	VHPQRPNPLDSFHW-UHFFFAOYSA-N	467.518	1.310	70	20	JDID	
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	865204207	JTFRXSYJKGUNBI-UHFFFAOYSA-N	471.532	1.684	70	20	JDID	
COC(=O)c1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848948965	NKFBCICGFVCYMI-UHFFFAOYSA-N	451.475	1.336	70	20	JDID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O	865204254	LOSGQRZENGZXQR-CQSZACIVSA-N	468.484	1.921	70	20	JDID	
C[C@@H](C(=O)N1CCN(CCN2CCCC2)CC1)N1C(=O)c2ccc(Br)cc2C1=O	218375959	HDTQMRFNFPBAPZ-HNNXBMFYSA-N	463.376	1.674	70	20	JDID	
CCOC(=O)c1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc(S(C)(=O)=O)c1	848945389	OUORKTYSHIDMGW-UHFFFAOYSA-N	465.502	1.726	70	20	JDID	
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	217000431	RMURVHHSLJCOCR-FYYLOGMGSA-N	479.560	1.918	70	20	JDID	
CN1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	217892436	RWDHSLWJIIKXLH-INIZCTEOSA-N	473.437	1.213	70	20	JDID	
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c1	1337724693	AFHBPGNFOZSFIY-UHFFFAOYSA-N	476.529	1.340	70	20	JDID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1OCC(=O)NC1CC1	848944526	MXYUQEMWJYIQHF-UHFFFAOYSA-N	458.489	1.812	70	20	JDID	
CN1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1	217060998	HHCCKRBZZYKYHG-UHFFFAOYSA-N	462.538	1.470	70	20	JDID	
Cc1cc(C(=O)N2CCOCC2)ccc1N(C)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945223	MAASVVRDZZELQP-UHFFFAOYSA-N	456.517	1.951	70	20	JDID	
CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(F)(F)F)CC1	1337493058	ZZJKWIXFSFYWPJ-ZDUSSCGKSA-N	472.461	1.886	70	20	JDID	
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c(Br)c1	848947478	QWRJSYKSZYWPAH-UHFFFAOYSA-N	473.323	1.556	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1	848945620	VXLIEQWCDLRVHQ-UHFFFAOYSA-N	452.482	1.725	70	20	JDID	
O=C(Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)c1cc(S(=O)(=O)F)c[nH]1	1347808875	DRVOYZAZLAZLQO-UHFFFAOYSA-N	472.502	1.607	70	20	JDID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	848944073	GGBSJUFVTBGGMW-UHFFFAOYSA-N	498.963	1.820	70	20	JDID	
O=C(COc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1	848945438	QOMSNRYWYCPPRQ-UHFFFAOYSA-N	458.489	1.383	70	20	JDID	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865206054	RBJVVYKMTUIXFN-UHFFFAOYSA-N	471.488	1.708	70	20	JDID	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCOCC1	865206216	VRTIMRRTWQQSQK-UHFFFAOYSA-N	458.489	1.627	70	20	JDID	
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)CC1	865203827	AKVPZESOKCCXGY-UHFFFAOYSA-N	469.516	1.450	70	20	JDID	
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865208031	SXVDPLQFTGCAKE-UHFFFAOYSA-N	455.533	1.211	70	20	JDID	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1C(=O)O	848944851	DGWKZFWAYVCMAQ-UHFFFAOYSA-N	452.463	1.215	70	20	JDID	
COC[C@@](C)(CNC(=O)c1cccc(S(=O)(=O)F)c1)NC(=O)c1cccc(S(=O)(=O)F)c1	1121032608	UVOAVCWCURHKRF-LJQANCHMSA-N	490.506	1.568	70	20	JDID	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2c1=O	848944214	ULFIUKBXHWZMCW-UHFFFAOYSA-N	468.488	1.088	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C(=O)c2ccccc2I)CC1	1339473037	YTTNJAAUGAQVHQ-UHFFFAOYSA-N	491.282	1.876	70	20	JDID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCOCC1	848944058	DVBRXTPQRATGIF-UHFFFAOYSA-N	494.544	1.175	70	20	JDID	
O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(S(=O)(=O)F)cc1	865205376	DXFSKXKAGKKZNO-AWEZNQCLSA-N	476.529	1.063	70	20	JDID	
O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1121184801	IJCKTSDUNDCIHL-KRWDZBQOSA-N	452.479	1.931	70	20	JDID	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945196	KWLFRRZUIJRWRU-LBPRGKRZSA-N	451.523	1.319	70	20	JDID	
Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)C2=O)n(C)n1	865210176	VMOFQLIHQGJENE-SFHVURJKSA-N	463.535	1.340	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	1336922386	SDYDYECTEFRSNA-UHFFFAOYSA-N	486.366	1.644	70	20	JDID	
O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ccc(I)cc1	1349545416	BWUPNHSDFBYLJY-UHFFFAOYSA-N	451.217	1.646	70	20	JDID	
CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1336961482	JRHGQVSBJIIPFR-UHFFFAOYSA-N	458.556	1.680	70	20	JDID	
O=S1(=O)CC[C@H](n2nc(C3CC3)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	848947075	QSWZKFOIWZZFKZ-LBPRGKRZSA-N	463.534	1.579	70	20	JDID	
CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848947021	NWJNQDSJPHAUFP-UHFFFAOYSA-N	477.561	1.082	70	20	JDID	
CN1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1	217061194	YAHCDSFAWOSDJJ-UHFFFAOYSA-N	463.431	1.758	70	20	JDID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1	1348647165	OTMSJDAAGRJTHN-UHFFFAOYSA-N	466.516	1.758	70	20	JDID	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945194	KWLFRRZUIJRWRU-GFCCVEGCSA-N	451.523	1.319	70	20	JDID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12	865204530	XITOCAJCBPXYBB-UHFFFAOYSA-N	495.510	1.872	70	20	JDID	
CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1262787980	OQLOJSJXLFYXEU-ZDUSSCGKSA-N	460.528	1.699	70	20	JDID	
CN(C)C(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	848945031	IACLZCFOMMAGOH-UHFFFAOYSA-N	477.923	1.617	70	20	JDID