smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CS(=O)(=O)c1nc(C(=O)NCc2ccnc(N3CCCCCC3)c2)c2ccccn12	216983956	RWQAPJZBNWTWSC-UHFFFAOYSA-N	427.530	2.443	70	20	IEID	
Cc1cn2c(CN(C)C(=O)CCNC3=NS(=O)(=O)c4ccccc43)c(C)nc2s1	218433437	XTWLKDONLLAXNW-UHFFFAOYSA-N	431.543	2.100	70	20	IEID	
CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CC[C@H](N2CCN(CC)CC2)C1)C(C)C	216971777	QIQUHTGHAQNXAQ-SIKLNZKXSA-N	430.593	2.078	70	20	IEID	
CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947508	TXIVZJDMSNEYQS-UHFFFAOYSA-N	427.884	2.203	70	20	IEID	
O=C(Nc1ccccc1)c1nnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)s1	218282693	VJMGGNOELXURLB-UHFFFAOYSA-N	442.589	2.311	70	20	IEID	
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc(S(=O)(=O)F)c1	809281648	SYSUMBUVWGIVIO-UHFFFAOYSA-N	443.474	2.309	70	20	IEID	
CCCCn1c(N)c(N(CC)CC(=O)N(C)Cc2ccc(Cl)s2)c(=O)[nH]c1=O	217791443	DVXLCBJAMPOHBL-UHFFFAOYSA-N	427.958	2.119	70	20	IEID	
COc1cc2ncn(CCCC(=O)Nc3cccc(S(=O)(=O)F)c3)c(=O)c2cc1OC	771717516	UACOZBWWNSLLKA-UHFFFAOYSA-N	449.460	2.491	70	20	IEID	
CS(=O)(=O)NC1CCN(C(=O)c2ccc(Br)cc2Br)CC1	218736887	FAOIPHCZBJHEOR-UHFFFAOYSA-N	440.157	2.365	70	20	IEID	
Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)cc1Br	159665509	URVLPWQUWZIYPT-QMMMGPOBSA-N	449.186	2.231	70	20	IEID	
COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	776366068	QBUUTTZONMZJOB-UHFFFAOYSA-N	426.491	2.452	70	20	IEID	
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865207803	PZYFZBCOYXZGPO-INIZCTEOSA-N	434.489	2.405	70	20	IEID	
O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1	1123743486	QWXRBOVJOZYDDZ-LLVKDONJSA-N	433.383	2.223	70	20	IEID	
O=C(NN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	217888261	ZIIXXMDTQIGHFQ-AWEZNQCLSA-N	430.368	2.367	70	20	IEID	
COCC[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771829451	CVYSRAMZKAYZML-RUZDIDTESA-N	435.520	2.041	70	20	IEID	
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)F)cc1)CCC2	865207590	LZDVDAVHYXKDKP-UHFFFAOYSA-N	426.491	2.188	70	20	IEID	
O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)F)c1	1338401176	UDYJPPNLZNJPDS-ZDUSSCGKSA-N	427.479	2.031	70	20	IEID	
Cc1c(C(=O)Nc2cccc(S(=O)(=O)F)c2)nnn1-c1cccc2c1CCN(C)C2	809281139	QVRFUGNVKSJVMV-UHFFFAOYSA-N	429.477	2.474	70	20	IEID	
COc1ccc(NC(=O)C2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCCC2)cc1OC	1340088429	OQCHDVGIRGAJMT-UHFFFAOYSA-N	439.465	2.371	70	20	IEID	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(S(=O)(=O)F)c1	1120866869	ZUWSAWCGVHVBML-UHFFFAOYSA-N	449.504	2.270	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)N2CCOc3ncc(Br)cc32)cc1	848948330	OIGJMJVAGSQUMF-UHFFFAOYSA-N	437.268	2.090	70	20	IEID	
O=C(CC1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	217227779	NLMAGZZVKWRPRD-UHFFFAOYSA-N	431.352	2.099	70	20	IEID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1N1CCN(C)CC1	1261782684	PQRSZVRUGFTPML-UHFFFAOYSA-N	427.523	2.206	70	20	IEID	
COCCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1	217211456	HBHMVGYNJZJSKC-HKUYNNGSSA-N	427.467	2.406	70	20	IEID	
O=C(CN1CCN(Cc2ccncc2)CC1)Nc1cccc(I)c1	216680527	OLQCLEINGDFOPL-UHFFFAOYSA-N	436.297	2.443	70	20	IEID	
CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1345750255	XFWIPLLBHGUHSI-UHFFFAOYSA-N	448.442	2.374	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1	848946721	WGSRECFLLVRGLT-UHFFFAOYSA-N	428.507	2.020	70	20	IEID	
CON(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)ccc1Cl	769660900	ANPBBOUFUSEOJW-UHFFFAOYSA-N	436.870	2.432	70	20	IEID	
Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1336961746	ORVFRLKRPLCYAV-INIZCTEOSA-N	434.489	2.405	70	20	IEID	
CN(CCN1CCOCC1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1	217211207	IVVZNEWQQZSLKL-MJGOQNOKSA-N	427.467	2.406	70	20	IEID	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1337727379	ZKFNLJSZBGLCRC-UHFFFAOYSA-N	433.505	2.304	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)C1CCN(C)CC1)n2C	217071157	FNJUCXDGVXKZDY-UHFFFAOYSA-N	449.621	2.089	70	20	IEID	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)[C@H]1CCCO1	771831695	OLFGWUONMMNOME-MRXNPFEDSA-N	428.463	2.263	70	20	IEID	
O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(S(=O)(=O)F)cc1	776364975	GQLGRUMBTSIOHD-UHFFFAOYSA-N	440.250	2.456	70	20	IEID	
COCCCN1Cc2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2C1	848947247	CMTHMSYAIAWYSD-UHFFFAOYSA-N	428.507	2.498	70	20	IEID	
O=C(CCN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NC(c1ccccc1)c1ccccc1	217670156	MFKWCZTUMBIGMJ-QFIPXVFZSA-N	441.597	2.087	70	20	IEID	
O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1345451512	LAXXCXDQIIKDJV-VGOFMYFVSA-N	441.437	2.278	70	20	IEID	
Cn1c(=O)c2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cnc2n(C)c1=O	217418014	JWKDTYOIJXKKGM-UHFFFAOYSA-N	448.810	2.105	70	20	IEID	
CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc21	771830311	XLEFBEDRBPQDFX-UHFFFAOYSA-N	427.479	2.238	70	20	IEID	
CS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1C(F)(F)F	1354884501	FIJCJENBIJYHDZ-UHFFFAOYSA-N	428.385	2.025	70	20	IEID	
COCCN(C)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br	159644181	NGKNHVVBZBSJGE-UHFFFAOYSA-N	444.189	2.377	70	20	IEID	
O=C(CN1CCN(Cc2ccncc2)CC1)Nc1ccc(I)cc1	216668506	XEWHZWWRVPAAOA-UHFFFAOYSA-N	436.297	2.443	70	20	IEID	
O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cc(S(=O)(=O)F)c[nH]1	1354469662	PTXIYLUCZHEEKM-UHFFFAOYSA-N	428.243	2.328	70	20	IEID	
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1	160395670	MOWCXTSSNICMFX-SNVBAGLBSA-N	440.157	2.365	70	20	IEID	
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	771717468	QCPXGOILYJINFA-CWTRNNRKSA-N	425.482	2.420	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	776368205	QYIUNHWXTRFQSN-AWEZNQCLSA-N	426.491	2.384	70	20	IEID	
O=C(NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)Nc1cccc(F)c1	1123524086	LWHFEKPCRKRWSD-GFCCVEGCSA-N	426.445	2.486	70	20	IEID	
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccn1	216640055	SRMZZQWIXJEKNW-GOSISDBHSA-N	442.585	2.144	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	776364849	YPZWVTDVQXHQLN-AWEZNQCLSA-N	432.429	2.372	70	20	IEID	
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1336961599	MUZPEJVZKDMGRQ-CYBMUJFWSA-N	426.489	2.445	70	20	IEID	
COc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)cc1	848945900	XCVLCUYVWFBLPG-UHFFFAOYSA-N	425.463	2.399	70	20	IEID	
COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3ccc(S(=O)(=O)F)cc3)C2=O)c1	865207918	AEEINMFFUVVNAR-GOSISDBHSA-N	436.461	2.240	70	20	IEID	
CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771839787	KKAQNCMYEZLSPB-UHFFFAOYSA-N	430.479	2.246	70	20	IEID	
CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(Br)ccc2Br)C1	160395809	MOWCXTSSNICMFX-JTQLQIEISA-N	440.157	2.365	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	769661060	VWGBEMHHXSTZTH-AWEZNQCLSA-N	432.429	2.372	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865206062	RPZNCWDYJQYOAK-UHFFFAOYSA-N	440.518	2.236	70	20	IEID	
O=C(NC1CCOCC1)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771841594	YYMPTEPAEUDBCT-UHFFFAOYSA-N	442.490	2.054	70	20	IEID	
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(S(=O)(=O)F)c3)n(C)c2)C1	809280925	BCSVMDXJDWOPGJ-CYBMUJFWSA-N	443.522	2.356	70	20	IEID	
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1	216900443	NZABWPRVBJPRDB-IAGOWNOFSA-N	443.560	2.305	70	20	IEID	
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N1CCCC1	771717875	YVRKJNMMSCDPFY-UHFFFAOYSA-N	442.490	2.390	70	20	IEID	
CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)F)c1	768893360	YUCXEFUMKGPDEY-UHFFFAOYSA-N	441.911	2.344	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H](C)O)cc1	218284520	AODHBAASNRFOLU-MLGOLLRUSA-N	427.320	2.424	70	20	IEID	
NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	809281809	ZFRREBGNOXHBOO-VEGGFIAOSA-N	445.472	2.087	70	20	IEID	
Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771829870	MHMKGQYZHULYNA-UHFFFAOYSA-N	426.451	2.375	70	20	IEID	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)n2)c(=O)[nH]c1=O	217151645	GDCFUPOSGPQEML-UHFFFAOYSA-N	434.500	2.433	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)N(CCO)c2ccc(Br)cc2)cc1	771838972	AIBDALHVILKVGZ-UHFFFAOYSA-N	438.296	2.295	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1	865207953	APPHRVHNCXENNR-HNNXBMFYSA-N	429.466	2.313	70	20	IEID	
C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1351023073	PDYMFRIZCKMCGI-UHFFFAOYSA-N	428.496	2.039	70	20	IEID	
COc1ccc(CN2CCN(CC(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1F	216708928	RZRNVLSOXHPFIT-JOCHJYFZSA-N	428.552	2.371	70	20	IEID	
COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1338401256	WDTKKYNSNHYFHQ-ZDUSSCGKSA-N	433.255	2.422	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1	771840326	QGYJRJCMNFWNAG-UHFFFAOYSA-N	433.446	2.275	70	20	IEID	
COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1338401255	WDTKKYNSNHYFHQ-CYBMUJFWSA-N	433.255	2.422	70	20	IEID	
CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1519746298	UTJVMUHWKVERQS-UHFFFAOYSA-N	446.526	2.388	70	20	IEID	
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765544	TVRNQSLBGCBADP-ROUUACIJSA-N	439.585	2.448	70	20	IEID	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1)[C@@H]1CCCO1	771831690	OLFGWUONMMNOME-INIZCTEOSA-N	428.463	2.263	70	20	IEID	
COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cc1[N+](=O)[O-]	777650565	IJSKIWLPMMUVOW-UHFFFAOYSA-N	433.395	2.232	70	20	IEID	
CC(C)n1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1	217099189	LKTHQUUYUIOVLL-PKOBYXMFSA-N	431.562	2.418	70	20	IEID	
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1OC	1354469685	QSOLCQGHUWAINR-UHFFFAOYSA-N	440.497	2.005	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)cc1	848947432	OGSGLRGITGVVEY-UHFFFAOYSA-N	431.398	2.247	70	20	IEID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N1CCCC1	763176043	HVEJBMCQVJAWAL-UHFFFAOYSA-N	442.490	2.390	70	20	IEID	
O=C(CN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1)N1CCCCCC1	216903332	HZZKTDPFRYEOMI-UHFFFAOYSA-N	429.533	2.203	70	20	IEID	
O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)F)cc1	865208238	GETPOPZTQGAEFL-CYBMUJFWSA-N	427.479	2.031	70	20	IEID	
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765465	TVRNQSLBGCBADP-ZWKOTPCHSA-N	439.585	2.448	70	20	IEID	
Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)cc1	1263697058	JUGFRRGEFWNZAK-OVCLIPMQSA-N	437.474	2.448	70	20	IEID	
O=C(NCCNC(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(Br)cc1	1339471606	FZCRBTPTHMZUDB-UHFFFAOYSA-N	429.267	2.267	70	20	IEID	
Cc1cc(Br)cc2c1N(C(=O)c1ccc3c(=O)n(C)c(=O)n(C)c3n1)CCC2	216767488	QBLVYDAPFRLHQD-UHFFFAOYSA-N	443.301	2.296	70	20	IEID	
Cc1cn2c(CN(C)C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)c(C)nc2s1	217128557	PUZHDMYOODGYET-UHFFFAOYSA-N	437.525	2.043	70	20	IEID	
O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1cc(S(=O)(=O)F)c[nH]1	1348406261	RHAXAFKNAKWFTD-SNVBAGLBSA-N	437.262	2.156	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)c1cc(S(=O)(=O)F)c[nH]1	1336412954	IWVXFEWMMYPJGD-UHFFFAOYSA-N	442.494	2.176	70	20	IEID	
O=C(CCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1-c1ccccc1	217670264	VLVJJEGWJRZZNX-HXUWFJFHSA-N	427.570	2.487	70	20	IEID	
CN1CCC2(CC1)C[C@H](NC(=O)CCn1[nH]c(=O)c3ccccc3c1=O)c1ccccc1O2	216800125	FRNPQLPSSMWXOE-FQEVSTJZSA-N	448.523	2.184	70	20	IEID	
Cc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(F)c1	218765252	OPKRDMFPRLUCCZ-OAHLLOKOSA-N	429.521	2.348	70	20	IEID	
O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1346040176	BNJJPERKOVOKSY-UHFFFAOYSA-N	433.383	2.290	70	20	IEID	
CCn1c(CN[C@@H](C)c2cccnc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	216726849	OUOYMUJHECZMCK-INIZCTEOSA-N	429.546	2.323	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc(C2CC2)nc2onc(C)c12)[C@H]1CCS(=O)(=O)C1	218080491	VMTRNMPDDBKZOC-INIZCTEOSA-N	434.562	2.380	70	20	IEID	
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(S(=O)(=O)F)cc1	776362559	AGMMVDZQYMEEAU-HXUWFJFHSA-N	431.445	2.282	70	20	IEID	
N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(S(=O)(=O)F)cc3)C2=O)cc1	776362781	FEEYOENFDCFIFY-INIZCTEOSA-N	430.417	2.060	70	20	IEID	
Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n2)cc1	216779218	QMOBUJMPHJPDGD-SJLPKXTDSA-N	448.614	2.250	70	20	IEID	
Cc1nc(CN2CCN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC2)no1	217159971	GEJJEXBFXDKKSO-AWEZNQCLSA-N	438.315	2.382	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	1354469275	HPPQNVDDZSBXFO-GOSISDBHSA-N	446.548	2.414	70	20	IEID	
CCCCn1c(N)c(N(CC)C(=O)CN[C@H](C)c2cc3ccccc3o2)c(=O)[nH]c1=O	216694354	OVAOSOPDXDKBAC-CQSZACIVSA-N	427.505	2.369	70	20	IEID	
NS(=O)(=O)c1cccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1	218116701	QNPDPLKHGCRFCA-UHFFFAOYSA-N	427.248	2.176	70	20	IEID	
CS(=O)(=O)N1CCC(NC(=O)c2cc(Br)ccc2Br)CC1	160144295	CZUVAEVDUGFOLT-UHFFFAOYSA-N	440.157	2.365	70	20	IEID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1cc2c(s1)CCCCC2	771831650	OIQYUWSGBRUNIX-UHFFFAOYSA-N	432.520	2.299	70	20	IEID	
CC(C)(CNC(=O)c1cc(Br)ccc1Br)NS(C)(=O)=O	160563035	ZPYDPYXZCCMBHT-UHFFFAOYSA-N	428.146	2.269	70	20	IEID	
O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cc(S(=O)(=O)F)c[nH]1	1348406280	RWMWBTQMCGYQAA-UHFFFAOYSA-N	429.227	2.415	70	20	IEID	
CN(CCN1CCOCC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1	217211201	IVVZNEWQQZSLKL-PKOBYXMFSA-N	427.467	2.406	70	20	IEID	
CN1CCN(CCCNC(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1	218188506	HVVFDDLDTLGZOT-SFHVURJKSA-N	430.496	2.190	70	20	IEID	
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121185912	ZTBOGHFFWAZKQO-GFCCVEGCSA-N	429.495	2.046	70	20	IEID	
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)cc2Br)C1	218757258	MXMJPLLDOGTAEW-SNVBAGLBSA-N	440.157	2.365	70	20	IEID	
C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1347188868	IKUURHYSNNHTPK-CYBMUJFWSA-N	433.465	2.242	70	20	IEID	
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1337724791	IPJXGBLHGQFUPV-UHFFFAOYSA-N	428.507	2.103	70	20	IEID	
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217781938	CWAFRNJWMGIQCZ-FQEVSTJZSA-N	441.532	2.033	70	20	IEID	
CCc1ccc(-c2nc(CC(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cs2)cc1	217062192	YMZFUDQPPOLMQQ-UHFFFAOYSA-N	428.558	2.110	70	20	IEID	
CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771841161	TVQXRBSVEJLISI-UHFFFAOYSA-N	425.467	2.380	70	20	IEID	
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1345451488	LAXXCXDQIIKDJV-AUWJEWJLSA-N	441.437	2.278	70	20	IEID	
O=C1CCCC(=O)N1c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944987	DZLZMQCTCCICCI-UHFFFAOYSA-N	426.447	2.189	70	20	IEID	
CN(CCN1CCOCC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1	217211194	IVVZNEWQQZSLKL-IEBWSBKVSA-N	427.467	2.406	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H](C)O)cc1	216798535	VJZMCGHWJJNERJ-DYVFJYSZSA-N	430.448	2.358	70	20	IEID	
O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCN(c2ccccn2)C1	218086334	OVMARACBGHJXNT-ZDUSSCGKSA-N	443.356	2.452	70	20	IEID	
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1	216900480	NZABWPRVBJPRDB-CALCHBBNSA-N	443.560	2.305	70	20	IEID	
CS(=O)(=O)NC1CCN(C(=O)c2cc(Br)ccc2Br)CC1	160382330	KNTBOBOOTKBCHG-UHFFFAOYSA-N	440.157	2.365	70	20	IEID	
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cccc(S(=O)(=O)F)c3)C2=O)c1	1340088421	OFBUOTSTHWHRFO-SFHVURJKSA-N	436.461	2.240	70	20	IEID	
CN(C)CCOc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1121032838	ZLZAZFAYQSUMBT-UHFFFAOYSA-N	435.521	2.248	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1	865207956	APPHRVHNCXENNR-OAHLLOKOSA-N	429.466	2.313	70	20	IEID	
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)n(C)c2)C1	776363994	NYBGWVKYOUSAQI-CYBMUJFWSA-N	443.522	2.356	70	20	IEID	
O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217781861	CWAFRNJWMGIQCZ-HXUWFJFHSA-N	441.532	2.033	70	20	IEID	
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865209474	VUMNHPTWOQPSTI-JTQLQIEISA-N	426.397	2.028	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1cc(S(=O)(=O)F)c[nH]1	1347809035	HQMNMGBTAFXRPN-UHFFFAOYSA-N	442.494	2.176	70	20	IEID	
O=C1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCCCC3)cc2N1	217223451	ZVUNQOCCRJCYFK-UHFFFAOYSA-N	430.368	2.488	70	20	IEID	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)c1ccc(Br)cc1	218385133	JEDPIUZVQUHCTO-KRWDZBQOSA-N	431.286	2.305	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1	771830340	XOKXMIXDLQMITR-UHFFFAOYSA-N	441.441	2.138	70	20	IEID	
CC(C)C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nc2ccccc2[nH]1	217032616	KAGPJLPBDJCZTB-AWEZNQCLSA-N	434.294	2.079	70	20	IEID	
Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771831110	JXULZVMVTRFFJB-UHFFFAOYSA-N	428.492	2.425	70	20	IEID	
O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cc(S(=O)(=O)F)c[nH]1	1348406260	RHAXAFKNAKWFTD-JTQLQIEISA-N	437.262	2.156	70	20	IEID	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(S(=O)(=O)F)cc1	776363373	IZKNZLAIEQNVRK-UHFFFAOYSA-N	432.520	2.372	70	20	IEID	
NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	776368545	XNNHSTASPWDEPJ-KYDJUPTOSA-N	445.472	2.087	70	20	IEID	
COC(=O)C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(OC)cc1OC	1338401165	TVXIWDWNTAGWKH-INIZCTEOSA-N	425.434	2.396	70	20	IEID	
Cc1cccc(CN2CCN(C(=O)CN(C)Cc3nc4ccsc4c(=O)[nH]3)CC2)c1	216825758	CUVKKILVIREGEF-UHFFFAOYSA-N	425.558	2.069	70	20	IEID	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCN(C)CC3)cc2)c1C	217061518	UQRKPQRFEFEHKJ-UHFFFAOYSA-N	430.574	2.081	70	20	IEID	
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1336922336	RKRPWPZCMOFJOV-HEHNFIMWSA-N	439.490	2.410	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1350748262	ZGACFTXJTBKPMY-LBPRGKRZSA-N	431.511	2.194	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2N2CCOCC2)cc1	848945262	KVLQYJYWQWYOOX-UHFFFAOYSA-N	436.433	2.260	70	20	IEID	
CCCCN1C(=O)CC[C@@H](C(=O)NCCN2CCN(C)CC2)[C@H]1c1ccccc1OC	218572000	UEEGDKNDAFSUBZ-NFBKMPQASA-N	430.593	2.139	70	20	IEID	
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765504	TVRNQSLBGCBADP-MSOLQXFVSA-N	439.585	2.448	70	20	IEID	
CSC[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	776364847	YMEXPWBRUYVNJZ-SOUVJXGZSA-N	428.507	2.190	70	20	IEID	
COc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc(OC)c1OC	865210218	XCGQCLPNBXCZNS-UHFFFAOYSA-N	438.477	2.333	70	20	IEID	
CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123468689	ONBWVINHCIZTKY-UHFFFAOYSA-N	438.437	2.001	70	20	IEID	
CN(CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Cc1cccnc1	216647254	FGOQYBMOWIEZKT-UHFFFAOYSA-N	449.477	2.315	70	20	IEID	
NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	809281808	ZFRREBGNOXHBOO-MZEUMTGBSA-N	445.472	2.087	70	20	IEID	
Cc1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n(-c2ccc(F)cc2)n1	217366885	JENOGDOPTSMFBK-UHFFFAOYSA-N	433.443	2.330	70	20	IEID	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)C1	1123561934	DMRQPGPSWOZBLD-CYBMUJFWSA-N	443.522	2.024	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1515237040	BFVGTXNCSHGXQK-UHFFFAOYSA-N	428.507	2.305	70	20	IEID	
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)c1cc(S(=O)(=O)F)c[nH]1	1123469608	YTJXZFSRMMWJCE-UHFFFAOYSA-N	428.917	2.268	70	20	IEID	
O=C1NCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]1c1ccc(Br)cc1	1517974645	ICUDYQGTIXKTGJ-HNNXBMFYSA-N	441.278	2.421	70	20	IEID	
Cc1cccc(CN2CCN(C(=O)CN[C@H](CN3CCOCC3)c3ccccc3)CC2)c1	216773209	OXNPLMVHRUBDDI-RUZDIDTESA-N	436.600	2.302	70	20	IEID	
CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1	217099174	LKTHQUUYUIOVLL-IEBWSBKVSA-N	431.562	2.418	70	20	IEID	
O=C(NN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	217888188	ZIIXXMDTQIGHFQ-CQSZACIVSA-N	430.368	2.367	70	20	IEID	
COc1ccc2c(C)c(CCC(=O)N3CCN(CCN4CCCC4)CC3)c(=O)oc2c1	217745477	LDXDOXKEVVOEJP-UHFFFAOYSA-N	427.545	2.283	70	20	IEID	
COc1ccc(Br)cc1C[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1349622210	GQCDWUCHQBLKFN-JTQLQIEISA-N	449.298	2.025	70	20	IEID	
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)F)c1	1516701298	HMORXRGXQGLUOP-UHFFFAOYSA-N	440.518	2.449	70	20	IEID	
Cc1ccn2c(CN3CCN(C(=O)[C@@H](C)NC(=O)c4cccs4)CC3)c(C)nc2c1	217621159	USSUPJSBVJTQJU-QGZVFWFLSA-N	425.558	2.475	70	20	IEID	
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(S(=O)(=O)F)cc1	776362551	AGMMVDZQYMEEAU-FQEVSTJZSA-N	431.445	2.282	70	20	IEID	
CCN(CC)C(=O)COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771831000	GAPBLCZIZWUGJO-UHFFFAOYSA-N	444.506	2.393	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1	771831771	PEKKXSNHXJMEEC-UHFFFAOYSA-N	429.419	2.142	70	20	IEID	
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945961	YPGXWQUBAIUWDI-KRWDZBQOSA-N	442.490	2.064	70	20	IEID	
C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C[C@@H](C)O1	848946669	SQNRIHPVRGHDMD-VXGBXAGGSA-N	449.551	2.211	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)F)c2)s1	1336950069	WYDNAGFNJLBQDZ-UHFFFAOYSA-N	448.563	2.409	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1	1337520074	PARDFHQXBSWILF-OAHLLOKOSA-N	429.466	2.313	70	20	IEID	
CCN(CC)CCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1	217622136	VVWVICUSYGJNRA-IBGZPJMESA-N	444.601	2.332	70	20	IEID	
CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346333325	OHYNGHYVMKCSQC-UHFFFAOYSA-N	425.410	2.353	70	20	IEID	
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1120944281	IZTGBAGYATXZHH-JTQLQIEISA-N	426.397	2.028	70	20	IEID	
COc1ccc([C@H](C)NCC(=O)NCC(C)(C)N2CCOCC2)cc1Br	216750075	JUKQYTNHUYWWEL-AWEZNQCLSA-N	428.371	2.335	70	20	IEID	
Cc1noc(C)c1COc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1	217624319	JQMHYLKFDXPSJT-KRWDZBQOSA-N	440.544	2.224	70	20	IEID	
Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218766429	TWQFCNRVXBWLNG-GOSISDBHSA-N	439.585	2.229	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](C)O)cc1	217490928	FEEDVJQPKBMADO-BLLLJJGKSA-N	427.320	2.424	70	20	IEID	
O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(S(=O)(=O)F)c[nH]1	1346040706	NXOQBZHGOWJDLF-UHFFFAOYSA-N	425.751	2.318	70	20	IEID	
Cc1ccc(NC(=O)c2nnc(CN3CCN(c4ncnc5c4cnn5C)CC3)s2)cc1	218488997	FEPNEALKKMLDTF-UHFFFAOYSA-N	449.544	2.098	70	20	IEID	
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCN(c2cccc(O)c2)CC1	216919053	UQRCNYYOLGHJMQ-JOCHJYFZSA-N	428.508	2.436	70	20	IEID	
CC(C)[C@@H](NC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccccc1	217149590	XIBHTFGCKAGEOZ-JOCHJYFZSA-N	439.585	2.387	70	20	IEID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)N1CCCCC1	1336412214	BLNIAFFEGYZPHD-UHFFFAOYSA-N	429.495	2.408	70	20	IEID	
O=C(Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)F)c1	1348707243	JDBKRRGFLSSMRJ-UHFFFAOYSA-N	445.472	2.411	70	20	IEID	
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccnc1	216727669	SFDRDNLNSKWEDE-SFHVURJKSA-N	442.585	2.144	70	20	IEID	
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CN(Cc2ccccc2)CCO1	217240463	YEJIGHWHERMEGE-PKTZIBPZSA-N	427.520	2.216	70	20	IEID	
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCN(Cc2ccccn2)CC1	216919095	DLRRNNFEKHNZBJ-QFIPXVFZSA-N	427.524	2.121	70	20	IEID	
COCCCN(Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCS(=O)(=O)C1	216708227	GXONAJSWMOOFQK-NSHDSACASA-N	434.312	2.118	70	20	IEID	
CN(CCN1CCOCC1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1	217211212	IVVZNEWQQZSLKL-HKUYNNGSSA-N	427.467	2.406	70	20	IEID	
O=C(CC1CCOCC1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	217228636	LNMWDAIMJRRDDL-UHFFFAOYSA-N	431.352	2.099	70	20	IEID	
Cc1cc(-n2nc(C)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc(C)n1	848946815	AZJPLRIZGBTSLL-UHFFFAOYSA-N	425.467	2.047	70	20	IEID	
CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C1CCCCCC1	217151010	KGPJQWPQNMNPFB-UHFFFAOYSA-N	429.533	2.452	70	20	IEID	
CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2Br)C1	218757293	MXMJPLLDOGTAEW-JTQLQIEISA-N	440.157	2.365	70	20	IEID	
O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N[C@@H](c1ccccc1)C1CC1	218764914	JNBWHHVRFMNMIL-QFIPXVFZSA-N	437.569	2.141	70	20	IEID	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1	217232986	LKRIEKRCSQPMAQ-YZVOILCLSA-N	441.561	2.470	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	865205328	CLDYOPZEXDMANF-UHFFFAOYSA-N	446.909	2.145	70	20	IEID	
CCC(=O)NCc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)ccc1OC	768887874	XFFXCBWWVBXEDZ-UHFFFAOYSA-N	430.479	2.180	70	20	IEID	
O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1)Nc1ccccc1Cl	1120944334	KTEZRLFWDKXWGO-UHFFFAOYSA-N	439.896	2.395	70	20	IEID	
O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Br)cc1	865206775	UVCHALAUELUIIR-UHFFFAOYSA-N	429.267	2.267	70	20	IEID	
Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)CC(=O)N2C(C)(C)C)cn1	865211129	JYIONNDXYUQUJT-KDOFPFPSSA-N	436.509	2.196	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1350748261	ZGACFTXJTBKPMY-GFCCVEGCSA-N	431.511	2.194	70	20	IEID	
Cn1ccnc1COC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	217574750	VBGLDPVOFDYBGJ-UHFFFAOYSA-N	448.364	2.388	70	20	IEID	
C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1345746677	DQNYTWBDORDTOC-NSHDSACASA-N	439.494	2.303	70	20	IEID	
Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1ccc(F)c(-n2nnnc2C)c1	216738295	WZBXVDJBZSVZTI-UHFFFAOYSA-N	431.859	2.238	70	20	IEID	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C(=O)N2CCCC2)cc1OC	1263697075	KSOLYPXDEJRKDJ-UHFFFAOYSA-N	425.438	2.178	70	20	IEID	
COc1ccc(Cn2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)cc1	848945894	WRBZKWHKGDIFRU-UHFFFAOYSA-N	425.463	2.399	70	20	IEID	
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1354032372	VZJUUAJRTPQDSD-UHFFFAOYSA-N	433.383	2.290	70	20	IEID	
COc1ccc([C@H](NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C2CC2)cc1	217108734	FLTNTDWGXQXOCN-JOCHJYFZSA-N	448.523	2.110	70	20	IEID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1N1CCCC1=O	771830803	DHNGMFMRFZCVHH-UHFFFAOYSA-N	428.463	2.281	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	776364850	YPZWVTDVQXHQLN-CQSZACIVSA-N	432.429	2.372	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccc(S(=O)(=O)F)cc1	865205265	BSFUEUCBIPFPNZ-UHFFFAOYSA-N	425.463	2.068	70	20	IEID	
O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN(CCN2CCCC2)CC1	217682994	VXXRFRWVCSFMJS-UHFFFAOYSA-N	428.964	2.404	70	20	IEID	
CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1cccc(S(=O)(=O)F)c1	809282572	NSJIJPYDSVYENS-CYBMUJFWSA-N	429.495	2.277	70	20	IEID	
O=C(NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)Nc1cccc(F)c1	1123524088	LWHFEKPCRKRWSD-LBPRGKRZSA-N	426.445	2.486	70	20	IEID	
NS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccccc2Br)cc1	217389969	DYANKQHVQZZSRC-UHFFFAOYSA-N	426.336	2.181	70	20	IEID	
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1338260966	QQVZZWRZDIQASW-CYBMUJFWSA-N	425.482	2.459	70	20	IEID	
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472804	SYVPKMPMWYUUFP-UHFFFAOYSA-N	447.510	2.354	70	20	IEID	
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	865205416	KRSKYNXDZUTAJI-FXBPSFAMSA-N	439.490	2.410	70	20	IEID	
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1cccc(S(=O)(=O)F)c1	809281618	RYZBMVLYZOVWOV-FQEVSTJZSA-N	431.445	2.282	70	20	IEID	
Cn1ccnc1COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848946648	SBLHDMDEUBXCMJ-UHFFFAOYSA-N	425.463	2.458	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)s1	1120784713	CLEKVNJVZQJLRY-UHFFFAOYSA-N	434.536	2.367	70	20	IEID	
CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(S(=O)(=O)F)c3)cc2)CC1	1337519759	HWOJLFWZOAUGTF-UHFFFAOYSA-N	433.505	2.304	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCn2ccc3ccccc32)[C@@H](C)O)cc1	216916222	QMZRIMQSSFSZDQ-UTKZUKDTSA-N	429.542	2.184	70	20	IEID	
CN1CCC2(CC1)C[C@@H](NC(=O)CCn1[nH]c(=O)c3ccccc3c1=O)c1ccccc1O2	216800082	FRNPQLPSSMWXOE-HXUWFJFHSA-N	448.523	2.184	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cccc(Br)c2)[C@@H](C)O)cc1	217490849	FEEDVJQPKBMADO-WBMJQRKESA-N	427.320	2.424	70	20	IEID	
O=C1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2cc(Br)ccc2N1	848948417	TWYMVCMRXHXOBW-UHFFFAOYSA-N	449.279	2.255	70	20	IEID	
CCN(C(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1	216750644	UBKDNGXVNMWQRZ-JSGCOSHPSA-N	433.368	2.144	70	20	IEID	
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc(S(=O)(=O)F)c[nH]1	1121094608	HFKFUNZTOLNJCD-UHFFFAOYSA-N	429.227	2.415	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1336922352	RPOJPTGVJYJITD-UHFFFAOYSA-N	440.518	2.236	70	20	IEID	
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccnc1	216730770	ZHYCZMHWHMBXRP-SFHVURJKSA-N	438.553	2.419	70	20	IEID	
COc1ccc(C[C@@H](CO)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1Br	1349622276	ISFUAWRKEDOCKF-LLVKDONJSA-N	449.298	2.025	70	20	IEID	
CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)o1	848946955	KEMZALIQDUPRKY-UHFFFAOYSA-N	426.451	2.262	70	20	IEID	
O=C(CNC(=O)c1ccc(Br)cc1)Nc1nc(CN2CCOCC2)cs1	218344686	DZYXQIHXTBDFNO-UHFFFAOYSA-N	439.335	2.106	70	20	IEID	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865205469	FOCHUTFCXMAAKK-UHFFFAOYSA-N	428.463	2.046	70	20	IEID	
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	218088367	HTOZUOQUFBEHFR-GOSISDBHSA-N	430.574	2.443	70	20	IEID	
O=C1NCCN1c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771830070	QBQFAFANFRFUNP-UHFFFAOYSA-N	433.870	2.329	70	20	IEID	
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cc(S(=O)(=O)F)c[nH]1	1123567019	BTGZJFIGIMFXHL-UHFFFAOYSA-N	435.408	2.466	70	20	IEID	
Cc1cn2c(CN(C)C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)c(C)nc2s1	217126064	RHZFIDOHRABLTG-QFIPXVFZSA-N	437.525	2.365	70	20	IEID	
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218766467	TWQFCNRVXBWLNG-SFHVURJKSA-N	439.585	2.229	70	20	IEID	
COC(=O)COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	771839007	BXQOEFQVDNOLGI-UHFFFAOYSA-N	437.854	2.351	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc([C@@H]3Cc4ccccc4O3)o2)cc1	848948083	ATPCTJLXMMKSFN-AWEZNQCLSA-N	425.419	2.205	70	20	IEID	
Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2)cc1	216779307	QMOBUJMPHJPDGD-AEFFLSMTSA-N	448.614	2.250	70	20	IEID	
COCCCN(CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1	217139080	XBIVDZOMHCPYBR-HNNXBMFYSA-N	437.389	2.178	70	20	IEID	
O=C(CCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NC(c1ccccc1)c1ccccc1	217670068	MFKWCZTUMBIGMJ-JOCHJYFZSA-N	441.597	2.087	70	20	IEID	
NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	776368557	XNNHSTASPWDEPJ-VRQAPCGNSA-N	445.472	2.087	70	20	IEID	
CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C1	848947779	JCKHSSGYKZFHMH-STQMWFEESA-N	445.494	2.272	70	20	IEID	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nn1cnc2sc3c(c2c1=O)CCCC3	217951754	PIOQOOWNFYIXKA-UHFFFAOYSA-N	441.904	2.414	70	20	IEID	
O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)F)c1	1354884233	CFJZNSOMEPQUCB-UHFFFAOYSA-N	434.898	2.097	70	20	IEID	
COCCNC(=O)CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)F)c1	809281599	RIXZGNHZNHJVKI-UHFFFAOYSA-N	426.491	2.452	70	20	IEID	
CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1	218098977	DGQONQQEHXSAAS-QGZVFWFLSA-N	431.924	2.293	70	20	IEID	
NC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)c1	799543005	ZMZMHWFUPNWDNF-UHFFFAOYSA-N	437.268	2.007	70	20	IEID	
O=C(/C(=C/c1ccco1)n1nnnc1-c1ccccc1)N1CCN(CCN2CCCC2)CC1	218374949	KERUZGSULFJBGM-QOCHGBHMSA-N	447.543	2.171	70	20	IEID	
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cccc(S(=O)(=O)F)c1	1516702196	SRRPLCPKOKVJRT-UHFFFAOYSA-N	430.255	2.213	70	20	IEID	
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	218088451	HTOZUOQUFBEHFR-SFHVURJKSA-N	430.574	2.443	70	20	IEID	
CSC[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	809281036	NZVPIRBKWDEEMZ-RBSFLKMASA-N	428.507	2.190	70	20	IEID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@H](C(N)=O)c1cccc(Br)c1	865208926	BRTLLZDDCOGQOW-AWEZNQCLSA-N	429.267	2.406	70	20	IEID	
O=C(NCc1ccc(Br)cc1N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1263760546	GKDDQASPVYATHC-UHFFFAOYSA-N	446.298	2.202	70	20	IEID	
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccn1	216663742	CZQQYFQZTLHROZ-SFHVURJKSA-N	438.553	2.419	70	20	IEID	
O=C(CN1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)CC1)N1CCCCCC1	218011623	FVFLJVJBHVAOSQ-UHFFFAOYSA-N	426.565	2.225	70	20	IEID	
CS(=O)(=O)c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)s1	768887468	USWHQANGAOVVCK-UHFFFAOYSA-N	433.913	2.264	70	20	IEID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1c(Cl)cccc1Cl	771829574	GXCZPSQUNWBUCX-UHFFFAOYSA-N	427.262	2.275	70	20	IEID	
CCN(CC)CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945199	JZEHKLSDVGBORY-UHFFFAOYSA-N	443.522	2.426	70	20	IEID	
CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl	218325564	OVXKMDFZNCEVAG-IBGZPJMESA-N	438.933	2.478	70	20	IEID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1-c1nnnn1C1CC1	771840177	NHKZAAMLDBXYDK-UHFFFAOYSA-N	437.478	2.442	70	20	IEID	
CN(CCCC(=O)Nc1ccc(S(=O)(=O)F)cc1)C1=NS(=O)(=O)c2ccccc21	776368377	UTOCEZIUGJHPCC-UHFFFAOYSA-N	439.490	2.144	70	20	IEID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H](C(N)=O)c1cccc(Br)c1	865208927	BRTLLZDDCOGQOW-CQSZACIVSA-N	429.267	2.406	70	20	IEID	
CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(Cc2cccnc2)C2CC2)CC1	216713896	XHNAUAUQHIINJE-UHFFFAOYSA-N	435.572	2.391	70	20	IEID	
Cc1ccc(NC(=O)[C@H](C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(F)c1	218765288	OPKRDMFPRLUCCZ-HNNXBMFYSA-N	429.521	2.348	70	20	IEID	
Cc1cc(N2CC[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)ccc1Br	1338399899	CRHRNYILTPBQIC-ZDUSSCGKSA-N	444.282	2.279	70	20	IEID	
O=C(CN(Cc1cccnc1)C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	216715315	XTYXMJDGEOVNGH-UHFFFAOYSA-N	448.976	2.233	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(S(=O)(=O)F)c[nH]1	1347457533	JTRGNEKUULDGAQ-UHFFFAOYSA-N	430.464	2.183	70	20	IEID	
Cn1ccnc1[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1cccc(F)c1	216856306	KAARYCVKMMQOAV-KZNAEPCWSA-N	426.473	2.469	70	20	IEID	
C[C@H](NC(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2	216644620	YIWVPEDRTYWXRC-WTOYTKOKSA-N	434.602	2.411	70	20	IEID	
CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1336922332	RKRPWPZCMOFJOV-FXBPSFAMSA-N	439.490	2.410	70	20	IEID	
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1	217232980	LKRIEKRCSQPMAQ-ZRGWGRIASA-N	441.561	2.470	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)[C@H]1CCS(=O)(=O)C1	218078289	NRBIOWURTOWORN-SFHVURJKSA-N	435.594	2.292	70	20	IEID	
COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cccc(S(=O)(=O)F)c3)C2=O)c1	1340088420	OFBUOTSTHWHRFO-GOSISDBHSA-N	436.461	2.240	70	20	IEID	
CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)F)c3)ccc2O1	768886554	KOVCJIVIAVFJNC-INIZCTEOSA-N	429.447	2.012	70	20	IEID	
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	768891833	NPSSJJSEALEQSZ-UHFFFAOYSA-N	440.396	2.438	70	20	IEID	
CN1CCN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)[C@@H](c2ccccc2)C1	216736256	RYVDVSNHUJDFQM-FGZHOGPDSA-N	433.618	2.324	70	20	IEID	
COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1cccc(S(=O)(=O)F)c1	1120786046	ARYBEEAKSHCZCB-UHFFFAOYSA-N	425.434	2.177	70	20	IEID	
Cc1ccn2c(CN3CCN(C(=O)[C@H](C)NC(=O)c4cccs4)CC3)c(C)nc2c1	217621241	USSUPJSBVJTQJU-KRWDZBQOSA-N	425.558	2.475	70	20	IEID	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(S(=O)(=O)F)c1	769660571	QZAPQQNJMSKARL-UHFFFAOYSA-N	432.520	2.372	70	20	IEID	
COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)sc12	848946490	JJDQEYOBBAYGBK-UHFFFAOYSA-N	445.475	2.245	70	20	IEID	
COC(=O)C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(OC)c(OC)c1	1262673394	LLCFQWCKSQZCGM-OAHLLOKOSA-N	425.434	2.396	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	1336414886	ZWXRZKVWODJADS-UHFFFAOYSA-N	446.909	2.145	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2ccc(Br)cc2)CC1	1338261389	UDUVDQFFCHVMNL-UHFFFAOYSA-N	430.299	2.393	70	20	IEID	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc21	1338819902	PYBJOEDIOMXTIU-UHFFFAOYSA-N	435.481	2.106	70	20	IEID	
O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1ccc(S(=O)(=O)F)cc1	865207292	LUFDLTLBNJQPNY-UHFFFAOYSA-N	432.477	2.051	70	20	IEID	
O=C1NCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]1c1cccc(Br)c1	1516701958	QFZXHPFEFQZNNH-HNNXBMFYSA-N	441.278	2.421	70	20	IEID	
O=C(c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)N1CCSCC1	771829672	KBLZAWGEBRMPRL-UHFFFAOYSA-N	444.531	2.335	70	20	IEID	
C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccncc2)CC1	216677430	ISNPNJDYVDFESY-XXAPSYRMSA-N	425.577	2.382	70	20	IEID	
CCN(CC)CCN(C(=O)c1cnn(-c2ccccc2F)c1C)[C@@H]1CCS(=O)(=O)C1	218511001	FLMXEUFJRQUXSF-QGZVFWFLSA-N	436.553	2.291	70	20	IEID	
Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	218759455	SWKNNSHVJUCZEI-MRXNPFEDSA-N	437.512	2.284	70	20	IEID	
COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(Br)cc1	1337667591	UKKUJZACASAODF-GFCCVEGCSA-N	433.255	2.470	70	20	IEID	
NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cs1	217196765	KYUZKKWWPRXYRK-CQSZACIVSA-N	433.477	2.419	70	20	IEID	
CCN1CCN(Cc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848947375	KYQYTHTWLYZTJP-UHFFFAOYSA-N	441.550	2.283	70	20	IEID	
CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1	848947781	JEQIOPCGNQNUPE-UHFFFAOYSA-N	436.508	2.443	70	20	IEID	
C[C@H](CS(C)(=O)=O)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1	217184863	TUGKAVKRULKMPO-CYBMUJFWSA-N	433.368	2.230	70	20	IEID	
NC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O	217160332	HYZSIAIMLJNBNR-KRWDZBQOSA-N	430.302	2.316	70	20	IEID	
CCNC(=O)N1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1	218189244	DYHQCURKHDGDJN-KRWDZBQOSA-N	430.452	2.310	70	20	IEID	
CC(C)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n(-c2ncccn2)n1	848946978	LFQIOQBFDBMJDM-UHFFFAOYSA-N	425.467	2.245	70	20	IEID	
O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(S(=O)(=O)F)cc1	865208304	YEIAJARRJAXNNP-UHFFFAOYSA-N	440.518	2.069	70	20	IEID	
Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1	217175284	GXRKGTRDKCQKDD-LJQANCHMSA-N	427.574	2.038	70	20	IEID	
Cn1ccnc1[C@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1cccc(F)c1	216856251	KAARYCVKMMQOAV-FGTMMUONSA-N	426.473	2.469	70	20	IEID	
COCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)ccc21	848945005	FLJOUDWBPXBVIL-UHFFFAOYSA-N	442.490	2.071	70	20	IEID	
N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771830436	YWLKKIYIPVVXKR-UHFFFAOYSA-N	426.447	2.225	70	20	IEID	
CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)c1ccc(S(=O)(=O)F)cc1	865207018	GMNFHIUIGRUBFI-UHFFFAOYSA-N	429.491	2.289	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	1262673498	PXQHLHBWBLUTDI-UHFFFAOYSA-N	427.326	2.331	70	20	IEID	
CCCCn1c(N)c(N(CC)C(=O)CN[C@@H](C)c2cc3ccccc3o2)c(=O)[nH]c1=O	216694314	OVAOSOPDXDKBAC-AWEZNQCLSA-N	427.505	2.369	70	20	IEID	
Cc1cn2c(CN(C)C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)c(C)nc2s1	217126052	RHZFIDOHRABLTG-JOCHJYFZSA-N	437.525	2.365	70	20	IEID	
CSc1ccc(NC(=O)Cn2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cn2)cc1	1123524640	SONACEWLXBEHGB-UHFFFAOYSA-N	437.478	2.482	70	20	IEID	
NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	809281807	ZFRREBGNOXHBOO-IBWPDUFMSA-N	445.472	2.087	70	20	IEID	
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1C	771829425	CFUJSTFNVSXZKF-UHFFFAOYSA-N	436.508	2.216	70	20	IEID	
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1120944282	IZTGBAGYATXZHH-SNVBAGLBSA-N	426.397	2.028	70	20	IEID	
O=S1(=O)CCCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1	217748774	WOQMAQJEIZKEIU-UHFFFAOYSA-N	447.170	2.021	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(Cc3cccnc3)C3CC3)CC2)cc1C	216712949	OTGQCURGTNGTEW-UHFFFAOYSA-N	442.585	2.196	70	20	IEID	
O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)c1cc(S(=O)(=O)F)c[nH]1	1348406236	QTMKTOFWVAKHHE-SECBINFHSA-N	437.262	2.156	70	20	IEID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)NC(C)C	763176166	JDTQMUYKXMWPEA-UHFFFAOYSA-N	430.479	2.292	70	20	IEID	
CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C1	848947778	JCKHSSGYKZFHMH-QWHCGFSZSA-N	445.494	2.272	70	20	IEID	
CCn1c(CN[C@@H](C)c2ccccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	216632464	SBTILVOIEZMNFW-INIZCTEOSA-N	429.546	2.323	70	20	IEID	
Cc1ccn2c(CN3CCN(C(=O)CCn4cnc5ccccc5c4=O)CC3)c(C)nc2c1	216911286	XTTPEARALZTCAB-UHFFFAOYSA-N	444.539	2.396	70	20	IEID	
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3ccc(S(=O)(=O)F)cc3)C2=O)c1	865207920	AEEINMFFUVVNAR-SFHVURJKSA-N	436.461	2.240	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	1337667063	LSFABXIJODBGJP-UHFFFAOYSA-N	446.909	2.145	70	20	IEID	
CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1	217195880	ZOPIFTCHOYITIL-UHFFFAOYSA-N	431.839	2.370	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@H](C)O)cc1	216798620	VJZMCGHWJJNERJ-GUYCJALGSA-N	430.448	2.358	70	20	IEID	
Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)CC(=O)N2C(C)(C)C)cn1	1340630681	SIFIMPLDLWOXEF-KDOFPFPSSA-N	436.509	2.196	70	20	IEID	
COCCOC(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771829651	JGGAAVFQFXVUBM-UHFFFAOYSA-N	432.451	2.341	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	809281742	WWLVRLKVTJGKMN-SNVBAGLBSA-N	425.369	2.384	70	20	IEID	
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C(=O)c1cnn(-c2ccccc2)c1	217186922	UJXZZOANMZTNDE-UHFFFAOYSA-N	442.273	2.310	70	20	IEID	
CO[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl	218325644	OVXKMDFZNCEVAG-LJQANCHMSA-N	438.933	2.478	70	20	IEID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1OCCN(C)C	848948662	CEBQEJLXIZZLOG-UHFFFAOYSA-N	432.495	2.095	70	20	IEID	
O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1121032604	UUOUHOXTEZOYJZ-INIZCTEOSA-N	449.426	2.495	70	20	IEID	
Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765105	YHDRBRKFYXRBPO-HNNXBMFYSA-N	429.521	2.348	70	20	IEID	
CC(C)N1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2S1(=O)=O	776367951	KHOQHEIPWQMUDY-UHFFFAOYSA-N	426.447	2.150	70	20	IEID	
C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	217185539	AOPIYJSWAXQACR-JTQLQIEISA-N	428.864	2.019	70	20	IEID	
CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cs1	1520864541	ATUXNIJJCVYTOX-GFCCVEGCSA-N	430.527	2.185	70	20	IEID	
Cc1ccc(C)c(OC[C@@H](O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1C	217415140	KMXNPDWTXFRLNR-FQEVSTJZSA-N	442.585	2.239	70	20	IEID	
CCNC(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc2ccccc12	848947405	MEHDMIJZKOMVCB-UHFFFAOYSA-N	437.474	2.444	70	20	IEID	
CN1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H](c2ccccc2)C1	216740333	PRKNFKUOGVIYDY-LJQANCHMSA-N	445.361	2.493	70	20	IEID	
Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCN(C(=O)CN2CCOCC2)CC1	218048715	NIAPXFHLFKRZIZ-UHFFFAOYSA-N	445.995	2.178	70	20	IEID	
CSC[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	809281035	NZVPIRBKWDEEMZ-QLFBSQMISA-N	428.507	2.190	70	20	IEID	
CN(C[C@H](O)Cn1c(-c2ccccc2)noc1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O	217146780	ZDZTWOVTMGZRMK-QFBILLFUSA-N	442.903	2.255	70	20	IEID	
CC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1	218099067	DGQONQQEHXSAAS-KRWDZBQOSA-N	431.924	2.293	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1(S(=O)(=O)c2ccccc2)CCOCC1	808739787	CPGSGFUOJAOVLV-UHFFFAOYSA-N	427.475	2.306	70	20	IEID	
O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(S(=O)(=O)F)cc1	865206428	GAXCZDGFQUSEQR-UHFFFAOYSA-N	440.518	2.449	70	20	IEID	
CN(CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1)C1CCOCC1	1123616092	DNIINWQGISVAGG-UHFFFAOYSA-N	439.509	2.093	70	20	IEID	
CCCn1c(CN(C)Cc2cccnc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	216652910	RANXDWJPQBIWAZ-UHFFFAOYSA-N	443.573	2.494	70	20	IEID	
CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1	217182344	HYOIWTWHIJMWCN-OAHLLOKOSA-N	427.332	2.359	70	20	IEID	
COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC	217268465	KSNXJVOHWLTPQW-UHFFFAOYSA-N	435.502	2.251	70	20	IEID	
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	771717466	QCPXGOILYJINFA-BLVKFPJESA-N	425.482	2.420	70	20	IEID	
CSC[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	776364845	YMEXPWBRUYVNJZ-QLFBSQMISA-N	428.507	2.190	70	20	IEID	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1338260699	NCYIMRZBMSIIIX-UHFFFAOYSA-N	430.479	2.246	70	20	IEID	
COC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(OC)c(OC)c1	865205851	NEIZBLAPHAVCBN-HNNXBMFYSA-N	425.434	2.396	70	20	IEID	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1347810005	QRZVZLCXIRQSCH-UHFFFAOYSA-N	428.463	2.046	70	20	IEID	
C[C@H]1CN(Cc2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C[C@@H](C)O1	848946668	SQNRIHPVRGHDMD-TXEJJXNPSA-N	449.551	2.211	70	20	IEID	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(F)c(C)c2)c(=O)[nH]c1=O	216830764	WBJNNDZOIUEMDM-UHFFFAOYSA-N	426.448	2.060	70	20	IEID	
O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1cccc(S(=O)(=O)F)c1	769661089	WWIJVTNWJCQDTK-UHFFFAOYSA-N	443.250	2.471	70	20	IEID	
CC(C)C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1	218523473	OFAXZOWYCUHITD-QGZVFWFLSA-N	426.355	2.042	70	20	IEID	
Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1	848947090	RROASFSUZAMRMX-UHFFFAOYSA-N	435.462	2.194	70	20	IEID	
COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1OC	809281304	KHYMCJQRWUFNDR-UHFFFAOYSA-N	431.463	2.165	70	20	IEID	
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)n(C)c2)C1	776363995	NYBGWVKYOUSAQI-ZDUSSCGKSA-N	443.522	2.356	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	1520703070	LXXUJCOXACTCFV-UHFFFAOYSA-N	433.383	2.290	70	20	IEID	
COc1ccc(N2CCN(CCCNC(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1339470741	AXQPCVDJKPPCMG-UHFFFAOYSA-N	435.521	2.296	70	20	IEID	
CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)c1OC	795351390	MFEKAYFSORDZOA-UHFFFAOYSA-N	436.870	2.167	70	20	IEID	
CN1CCN(c2ccc(Br)cc2NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1338400561	LZYVVYXIPBBIDT-UHFFFAOYSA-N	445.314	2.440	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1	771829644	JCBVAUYRDLJNGD-UHFFFAOYSA-N	441.441	2.138	70	20	IEID	
CN1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@@H](c2ccccc2)C1	216739926	GBEXCXLLPGMODM-TZIWHRDSSA-N	447.626	2.253	70	20	IEID	
O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1	217681719	NWDODGGAKQLTBX-LJQANCHMSA-N	429.904	2.013	70	20	IEID	
Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c1C	865205161	AJRDECCECYOKBX-UHFFFAOYSA-N	433.505	2.358	70	20	IEID	
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1354469145	FMHWEIKIYKZGLW-MRXNPFEDSA-N	437.449	2.093	70	20	IEID	
Cn1ncc2c(N3CCN(Cc4cc5c(cc4Br)OCO5)CC3)ncnc21	218162980	PHOFFCXUSHBKTI-UHFFFAOYSA-N	431.294	2.177	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1C	865205856	NHPBVAKYFFJRDF-UHFFFAOYSA-N	440.518	2.108	70	20	IEID	
O=S(=O)(Cc1ccccc1CNCc1cn2cc(Cl)ccc2n1)N1CCOCC1	217013760	ILHWNHHRFCUUJF-UHFFFAOYSA-N	434.949	2.440	70	20	IEID	
C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)C[C@@H](C)O1	848946552	MZUJJUNDNNUBCL-BETUJISGSA-N	429.495	2.154	70	20	IEID	
CN1CCN(C(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1	216628881	SWHOGVNPSQOSJC-UHFFFAOYSA-N	428.527	2.446	70	20	IEID	
Cn1[nH]c(-c2ccccc2Cl)nc1=NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848949116	XKTQWKINMLWFSP-UHFFFAOYSA-N	430.870	2.016	70	20	IEID	
Cc1noc(COc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)n1	771829896	NAZCYCNBTAGJER-UHFFFAOYSA-N	427.435	2.416	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc([C@H]3COc4ccccc4O3)o2)cc1	848948317	NQVYISHEEMOXHQ-CQSZACIVSA-N	441.418	2.041	70	20	IEID	
CC(C)(C)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n(-c2ncccn2)n1	848946991	MEPWHCJNGYCXER-UHFFFAOYSA-N	439.494	2.419	70	20	IEID	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865206056	RFSUBMFMGQOUFU-UHFFFAOYSA-N	433.505	2.304	70	20	IEID	
COc1cccc(Cn2[nH]c(C)c3c(NC(=O)c4cc(S(=O)(=O)F)c[nH]4)nnc2-3)c1	1519146378	LZOGYEDNCDXMTD-UHFFFAOYSA-N	432.437	2.315	70	20	IEID	
CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cs1	1521205998	KVXOSWVDZUUTMU-LBPRGKRZSA-N	430.527	2.185	70	20	IEID	
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)F)cc1)C2=O	763176208	JJJFHPCQEKDUPA-BUXKBTBVSA-N	425.482	2.420	70	20	IEID	
COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1521438545	RZJOGWRKMXXIKL-AWEZNQCLSA-N	435.271	2.250	70	20	IEID	
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1	216992715	KSNZLRINHDWQDM-CQSZACIVSA-N	434.541	2.332	70	20	IEID	
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(CCN2CCCC2)CC1	218092336	SPPSGSRYPZLJSD-NRFANRHFSA-N	433.572	2.034	70	20	IEID	
O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)c1cc(S(=O)(=O)F)c[nH]1	1348406242	QTMKTOFWVAKHHE-VIFPVBQESA-N	437.262	2.156	70	20	IEID	
CCN1CCN(c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)CC1	848948085	AULQKXUHNIEKEM-UHFFFAOYSA-N	427.523	2.288	70	20	IEID	
O=C(NCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl	218390577	DLFOIINJJGWMHN-GFCCVEGCSA-N	426.947	2.463	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	865207948	ZHIWZVHFIFIBSV-GOSISDBHSA-N	446.548	2.414	70	20	IEID	
NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1518678669	LLGDQPMYUQZGJF-UHFFFAOYSA-N	445.472	2.380	70	20	IEID	
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1	216992724	KSNZLRINHDWQDM-AWEZNQCLSA-N	434.541	2.332	70	20	IEID	
COc1ccc(F)cc1CN1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1	216776489	NDIRFEWMHKCQDW-JOCHJYFZSA-N	428.552	2.371	70	20	IEID	
CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771831399	MFGKIHGROBWGAI-UHFFFAOYSA-N	444.506	2.393	70	20	IEID	
C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)C[C@@H](C)O1	848946553	MZUJJUNDNNUBCL-CHWSQXEVSA-N	429.495	2.154	70	20	IEID	
CN(C)C1CCN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)nc2)CC1	848947082	QZOAWULBSIASLJ-UHFFFAOYSA-N	442.538	2.071	70	20	IEID	
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)C1	1123561935	DMRQPGPSWOZBLD-ZDUSSCGKSA-N	443.522	2.024	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cc(F)c(N3CCOCC3)cc2F)cc1	848944884	ARUDNBFAONDLPX-UHFFFAOYSA-N	436.433	2.260	70	20	IEID	
CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123726730	BTECDZGZODUSOJ-UHFFFAOYSA-N	442.270	2.288	70	20	IEID	
O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)F)cc1	865210812	POZMGOPQKICLCS-UHFFFAOYSA-N	434.898	2.097	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1	848947113	TZSMGCTXSKXWOJ-UHFFFAOYSA-N	430.870	2.439	70	20	IEID	
O=C(Nc1nc(CC(=O)N2CCN(CCN3CCCC3)CC2)cs1)c1ccccc1	218092021	GSRANVMHFYENND-UHFFFAOYSA-N	427.574	2.178	70	20	IEID	
CNC(=O)c1nn(Cc2nnc(-c3ccc(Br)o3)o2)c(=O)c2ccccc12	218477584	GWJNRJJSKBTBKV-UHFFFAOYSA-N	430.218	2.210	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc(C2CC2)nc2onc(C)c12)[C@@H]1CCS(=O)(=O)C1	218080412	VMTRNMPDDBKZOC-MRXNPFEDSA-N	434.562	2.380	70	20	IEID	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1337520423	YDYZUBISTLXBMZ-CYBMUJFWSA-N	431.392	2.200	70	20	IEID	
CCN(C(=O)CN[C@H](C)c1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	216750601	UBKDNGXVNMWQRZ-TZMCWYRMSA-N	433.368	2.144	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H](C)O)cc1	218284623	AODHBAASNRFOLU-BLLLJJGKSA-N	427.320	2.424	70	20	IEID	
COc1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(Br)c1	848947747	HQHQNQGLQVWEKJ-UHFFFAOYSA-N	425.257	2.312	70	20	IEID	
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771829343	AYSXHUGUPDQBII-UHFFFAOYSA-N	438.506	2.456	70	20	IEID	
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865205278	JXEATXGRHSGIEP-HEHNFIMWSA-N	439.490	2.410	70	20	IEID	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149784	CIAUVTRUWNCVAU-INIZCTEOSA-N	443.548	2.232	70	20	IEID	
Cc1ccc(NC(=O)CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(Br)c1	216662470	LYSWZIWJFHNOIO-HUUCEWRRSA-N	445.379	2.364	70	20	IEID	
C[C@@H](C(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)n1cccn1	217196869	IDXYPKQHCCRXNQ-YJBOKZPZSA-N	437.466	2.312	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	776368206	QYIUNHWXTRFQSN-CQSZACIVSA-N	426.491	2.384	70	20	IEID	
COc1ccc([C@@H](C)NCC(=O)NCC(C)(C)N2CCOCC2)cc1Br	216750048	JUKQYTNHUYWWEL-CQSZACIVSA-N	428.371	2.335	70	20	IEID	
CCc1nc(CN2CCN(C(=O)/C(=C\c3ccco3)NC(=O)c3ccccc3)CC2)no1	217170290	MASLFAGPNGKPEA-XDJHFCHBSA-N	435.484	2.340	70	20	IEID	
O=C1CCCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771840185	NJMOAHPQFSPWRW-UHFFFAOYSA-N	440.474	2.185	70	20	IEID	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN(C(=O)CN2CCOCC2)CC1	218048608	HSFLYSQSCKZEON-UHFFFAOYSA-N	449.958	2.009	70	20	IEID	
CC(=O)c1ccc(NC(=O)CCN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1	217671796	ZIZLWWTWAXYJPP-UHFFFAOYSA-N	439.541	2.105	70	20	IEID	
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)F)cc1)C2=O	763176212	JJJFHPCQEKDUPA-HXPMCKFVSA-N	425.482	2.420	70	20	IEID	
O=c1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cccn1Cc1ccc(F)cc1	771841023	RLMZDCVFZJPVTA-UHFFFAOYSA-N	440.449	2.495	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1	1120944782	YLWJYPAMHRVVBT-UHFFFAOYSA-N	445.516	2.082	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1C	1336410435	HVZJVOHFZVVQKU-UHFFFAOYSA-N	440.518	2.108	70	20	IEID	
NC(=O)CC[C@@H]1CCCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1	216662819	UONFUHNLLAXYGB-AWEZNQCLSA-N	428.364	2.015	70	20	IEID	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1	217211438	HBHMVGYNJZJSKC-IEBWSBKVSA-N	427.467	2.406	70	20	IEID	
O=C(CCN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1-c1ccccc1	217670352	VLVJJEGWJRZZNX-FQEVSTJZSA-N	427.570	2.487	70	20	IEID	
O=C1NCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]1c1ccc(Br)cc1	865210476	HAVPRVFFFUSSAV-HNNXBMFYSA-N	441.278	2.421	70	20	IEID	
Cc1cn2c(CN(C)C(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)c(C)nc2s1	217126636	OFDSASDVCAZJDN-OAQYLSRUSA-N	425.514	2.438	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1	848946898	GHZIOPYWUGQBSO-UHFFFAOYSA-N	442.231	2.145	70	20	IEID	
C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218766893	CSQMVEIQQBVIJG-INIZCTEOSA-N	448.552	2.449	70	20	IEID	
Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848946659	SLEXSSNHLIMXBI-UHFFFAOYSA-N	427.523	2.206	70	20	IEID	
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)F)cc1)C2=O	763176210	JJJFHPCQEKDUPA-CWTRNNRKSA-N	425.482	2.420	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21	1348707844	QVJIOGBKIWLECZ-UHFFFAOYSA-N	438.502	2.332	70	20	IEID	
Cn1c(CCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)nc2ccccc21	217236282	KJHYINHPGYMFSE-FQEVSTJZSA-N	426.542	2.475	70	20	IEID	
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccccc2)ccc1Br	218585220	NCXSJTKPGXJHDP-HNNXBMFYSA-N	427.320	2.163	70	20	IEID	
COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947424	NSFWDKRHPXZFAL-UHFFFAOYSA-N	434.492	2.196	70	20	IEID	
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1	217306356	KNCMNBYRCIHBCX-UHFFFAOYSA-N	430.505	2.371	70	20	IEID	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CNC(=O)c1ccc(Br)cc1	218385198	JEDPIUZVQUHCTO-QGZVFWFLSA-N	431.286	2.305	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865205497	GBDXSHLMXHGTME-UHFFFAOYSA-N	428.507	2.305	70	20	IEID	
C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)n1cccn1	217196857	IDXYPKQHCCRXNQ-MAUKXSAKSA-N	437.466	2.312	70	20	IEID	
NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	776368553	XNNHSTASPWDEPJ-OPGJMIRHSA-N	445.472	2.087	70	20	IEID	
COc1ccc(-c2nnc(SCc3cc(=O)n(C)c(=O)n3C)n2Cc2ccco2)cc1	217496238	RIEHRMWZOIXVQM-UHFFFAOYSA-N	439.497	2.285	70	20	IEID	
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)F)cc1)C2=O	763176203	JJJFHPCQEKDUPA-BLVKFPJESA-N	425.482	2.420	70	20	IEID	
COCCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771830445	ZDUNRNHOYHKONF-UHFFFAOYSA-N	433.479	2.204	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1	848944965	DIKUSAHQGUUDRD-UHFFFAOYSA-N	436.490	2.274	70	20	IEID	
COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1521438547	RZJOGWRKMXXIKL-CQSZACIVSA-N	435.271	2.250	70	20	IEID	
CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)C(C)C	217088618	ULDATTRJQUJYJT-JOCHJYFZSA-N	441.576	2.308	70	20	IEID	
CCOc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865209481	WDGXAGRIVBTVEP-UHFFFAOYSA-N	449.504	2.140	70	20	IEID	
Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347340896	VHZYGNBKHZRIAO-NSHDSACASA-N	433.299	2.325	70	20	IEID	
Cn1c(=O)c2cc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cnc2n(C)c1=O	217164729	IBSFSPIQYHURHD-UHFFFAOYSA-N	444.373	2.089	70	20	IEID	
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1	217625490	BZNPCKYEJXKLPV-ZDUSSCGKSA-N	448.976	2.096	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1	218401146	QPOJMEVZZWUVKY-AWEZNQCLSA-N	433.368	2.126	70	20	IEID	
Cc1cccc(CN2CCN(C(=O)CN[C@@H](CN3CCOCC3)c3ccccc3)CC2)c1	216773166	OXNPLMVHRUBDDI-VWLOTQADSA-N	436.600	2.302	70	20	IEID	
CCN1CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CC1	218280167	ZIQAHMSMUNYGTK-VWLOTQADSA-N	432.524	2.330	70	20	IEID	
Cc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1C	217415211	KMXNPDWTXFRLNR-HXUWFJFHSA-N	442.585	2.239	70	20	IEID	
NC(=O)c1cc(N2CCCCC2)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771831002	GCAIEWOZSMOYOO-UHFFFAOYSA-N	441.506	2.235	70	20	IEID	
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)c[nH]1	848946595	PBZVHQUIJIMSHU-UHFFFAOYSA-N	445.475	2.384	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1	809281485	ZGYJJGZINYOONE-UHFFFAOYSA-N	426.491	2.384	70	20	IEID	
Cc1nc(CN2CCN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC2)no1	217159982	GEJJEXBFXDKKSO-CQSZACIVSA-N	438.315	2.382	70	20	IEID	
O=S(=O)(F)c1cccc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)c1	794595046	GEVRJVJSAMRTOA-UHFFFAOYSA-N	429.419	2.142	70	20	IEID	
CCCCN1C(=O)CC[C@@H](C(=O)NCCN2CCN(C)CC2)[C@@H]1c1ccccc1OC	218571819	UEEGDKNDAFSUBZ-OFNKIYASSA-N	430.593	2.139	70	20	IEID	
COC(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C)c([N+](=O)[O-])c1	848945470	OMRMLJGXFTWBMU-UHFFFAOYSA-N	432.407	2.149	70	20	IEID	
COc1ccc(N2CCN(CCCNC(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865206184	VGKVRCPBDXOIBL-UHFFFAOYSA-N	435.521	2.296	70	20	IEID	
COc1cc(OCCN(C)C)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848948666	CFHTXLBRIHDURL-UHFFFAOYSA-N	432.495	2.095	70	20	IEID	
Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765072	YHDRBRKFYXRBPO-OAHLLOKOSA-N	429.521	2.348	70	20	IEID	
CCCCn1c(N)c(N(C)Cc2cc3c(cc2Br)OCO3)c(=O)[nH]c1=O	217790515	IDHNQFNISDGJFB-UHFFFAOYSA-N	425.283	2.047	70	20	IEID	
O=C(NN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	218259177	VCGYDBKCPLUKQT-GFCCVEGCSA-N	436.397	2.428	70	20	IEID	
O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(S(=O)(=O)F)c1	1337519782	IYJBHIULMBPXCK-UHFFFAOYSA-N	440.518	2.200	70	20	IEID	
O=C(N=c1cc[nH]cc1)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771830252	WNJFYIZKWGWJMH-UHFFFAOYSA-N	435.458	2.215	70	20	IEID	
O=C1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccc(Br)cc2N1	848948815	IGEHOJXJPONABY-UHFFFAOYSA-N	449.279	2.255	70	20	IEID	
CN1CC(=O)N(CCCC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1=O	217197027	KZYJKJHURIHDAA-INIZCTEOSA-N	426.439	2.070	70	20	IEID	
CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351023963	VMTOSNGNNHUMBR-UHFFFAOYSA-N	429.373	2.316	70	20	IEID	
CO[C@H](C)c1nc(CN2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cs1	1521205997	KVXOSWVDZUUTMU-GFCCVEGCSA-N	430.527	2.185	70	20	IEID	
CN1CCN(CCCNC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1	218188428	HVVFDDLDTLGZOT-GOSISDBHSA-N	430.496	2.190	70	20	IEID	
O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)F)cc1	865208240	GETPOPZTQGAEFL-ZDUSSCGKSA-N	427.479	2.031	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	1354469278	HPPQNVDDZSBXFO-SFHVURJKSA-N	446.548	2.414	70	20	IEID	
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121185929	ZTBOGHFFWAZKQO-LBPRGKRZSA-N	429.495	2.046	70	20	IEID	
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)cc1	1263697057	JUGFRRGEFWNZAK-NVNXTCNLSA-N	437.474	2.448	70	20	IEID	
Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1	216797220	ATQYMEKGKFUMMK-UHFFFAOYSA-N	442.545	2.108	70	20	IEID	
O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1cc(S(=O)(=O)F)c[nH]1	1338261363	SIUWZMWEKALMOH-UHFFFAOYSA-N	428.243	2.328	70	20	IEID	
C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)n1cccn1	217196862	IDXYPKQHCCRXNQ-CRAIPNDOSA-N	437.466	2.312	70	20	IEID	
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCN(c2cccc(O)c2)CC1	216919026	UQRCNYYOLGHJMQ-QFIPXVFZSA-N	428.508	2.436	70	20	IEID	
CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218283251	ANGKFNFIZMSFPW-QGZVFWFLSA-N	444.561	2.368	70	20	IEID	
O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1cccc(S(=O)(=O)F)c1	1121031845	FZCACWPTEIOCOT-UHFFFAOYSA-N	432.477	2.051	70	20	IEID	
O=C(CN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1)NCc1ccccc1	217799823	RYTZNCYZQLLUHP-UHFFFAOYSA-N	437.512	2.117	70	20	IEID	
O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc(S(=O)(=O)F)cc1	763175082	DCHWRGIJNIMQNH-UHFFFAOYSA-N	443.250	2.471	70	20	IEID	
Cc1cn2c(CN(C)C(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c(C)nc2s1	217126626	OFDSASDVCAZJDN-NRFANRHFSA-N	425.514	2.438	70	20	IEID	
CCN(C(=O)CN[C@H](C)c1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1	216750688	UBKDNGXVNMWQRZ-OCCSQVGLSA-N	433.368	2.144	70	20	IEID	
COCC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(C(=O)OC(C)(C)C)CC1	1349622242	HLENTRAYULASEX-UHFFFAOYSA-N	433.502	2.066	70	20	IEID	
C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149718	WEUWBKRCPPINCJ-QGZVFWFLSA-N	437.569	2.242	70	20	IEID	
CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ccc1Cl	763175235	DWWWNVNXOAFWTC-UHFFFAOYSA-N	436.870	2.432	70	20	IEID	
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865206529	KFGNSWLBXFSVGO-UHFFFAOYSA-N	440.880	2.362	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCn2ccc3ccccc32)[C@H](C)O)cc1	216916249	QMZRIMQSSFSZDQ-LAUBAEHRSA-N	429.542	2.184	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCn2ccc3ccccc32)[C@H](C)O)cc1	216916269	QMZRIMQSSFSZDQ-UWJYYQICSA-N	429.542	2.184	70	20	IEID	
O=C1NCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1c1cccc(Br)c1	1516701960	QFZXHPFEFQZNNH-OAHLLOKOSA-N	441.278	2.421	70	20	IEID	
COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ncc1Br	848947498	SKZQSGGVENYUHY-UHFFFAOYSA-N	425.257	2.312	70	20	IEID	
COc1ccc([C@@H](NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C2CC2)cc1	217108717	FLTNTDWGXQXOCN-QFIPXVFZSA-N	448.523	2.110	70	20	IEID	
CCN1CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CC1	218280108	ZIQAHMSMUNYGTK-RUZDIDTESA-N	432.524	2.330	70	20	IEID	
CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cs1	1520864543	ATUXNIJJCVYTOX-LBPRGKRZSA-N	430.527	2.185	70	20	IEID	
CS(=O)(=O)N1CCC(NC(=O)c2ccc(Br)cc2Br)CC1	218739011	MRTHOGJMEGYOTH-UHFFFAOYSA-N	440.157	2.365	70	20	IEID	
CCN(CC)C(=O)Cn1ccc2cc(NC(=O)N3CCN(CC(C)(C)O)CC3)ccc21	217062106	GGGCBJSXJPEXAT-UHFFFAOYSA-N	429.565	2.430	70	20	IEID	
COC(=O)C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(OC)c(OC)c1	1262673393	LLCFQWCKSQZCGM-HNNXBMFYSA-N	425.434	2.396	70	20	IEID	
CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	865208645	REDOFBUNFQZYRW-UHFFFAOYSA-N	433.505	2.304	70	20	IEID	
COCCCN(CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1	217139068	XBIVDZOMHCPYBR-OAHLLOKOSA-N	437.389	2.178	70	20	IEID	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1337520424	YDYZUBISTLXBMZ-ZDUSSCGKSA-N	431.392	2.200	70	20	IEID	
NC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1	217819808	NPFJYXWMRSNRSB-UHFFFAOYSA-N	425.880	2.331	70	20	IEID	
Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1N1C(=O)CCC1=O	771830447	ZFJUHTMHWBHFAK-UHFFFAOYSA-N	426.447	2.107	70	20	IEID	
NC(=O)C1CCN(CCc2ccc(NC(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	865206962	CRGMUAVATWRFID-UHFFFAOYSA-N	433.505	2.337	70	20	IEID	
C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2C1	771831835	PUDKKIOPELVCEP-JTQLQIEISA-N	432.520	2.154	70	20	IEID	
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)c(C)s1	865206816	WZLPWTJTNJRGDR-UHFFFAOYSA-N	446.547	2.170	70	20	IEID	
CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	217141289	HGDIXNOFDMDVSA-UHFFFAOYSA-N	439.397	2.275	70	20	IEID	
COc1ccc(C[C@H](CO)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1Br	1349622277	ISFUAWRKEDOCKF-NSHDSACASA-N	449.298	2.025	70	20	IEID	
O=C(CC1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	217227840	IAYJBVQRDIPPSD-UHFFFAOYSA-N	437.381	2.160	70	20	IEID	
Cc1ccc(-n2cnnc2SCC(=O)N2CCN(CCN3CCCC3)CC2)cc1C	218378111	IUJUBMNKWYKZSQ-UHFFFAOYSA-N	428.606	2.216	70	20	IEID	
O=C(CCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)NCc1ccccc1Cl	217672709	WHPQYOJZQKMGGF-UHFFFAOYSA-N	445.976	2.234	70	20	IEID	
C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1345746667	DQNYTWBDORDTOC-LLVKDONJSA-N	439.494	2.303	70	20	IEID	
C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1C	1519147147	RBECBUSQLCRTCK-UHFFFAOYSA-N	428.496	2.423	70	20	IEID	
Cc1ccccc1CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	218759497	SWKNNSHVJUCZEI-INIZCTEOSA-N	437.512	2.284	70	20	IEID	
O=C(COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1)N1CCCC1	771831876	RJPZYFXEWWLZKJ-UHFFFAOYSA-N	442.490	2.147	70	20	IEID	
C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)C[C@H](C)O1	848946554	MZUJJUNDNNUBCL-STQMWFEESA-N	429.495	2.154	70	20	IEID	
CCOc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@H](N2CCN(CC)CC2)C1)C(C)C	216971797	QIQUHTGHAQNXAQ-UGKGYDQZSA-N	430.593	2.078	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cccc(Br)c2)[C@H](C)O)cc1	217491002	FEEDVJQPKBMADO-LRDDRELGSA-N	427.320	2.424	70	20	IEID	
COc1ccc(CCc2nnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)o2)cc1	848948112	CCMPNYSUARFCCC-UHFFFAOYSA-N	441.462	2.322	70	20	IEID	
CCn1c(=O)[nH]c2cc(C(=O)N3CCN([C@@H](C)c4cccc(OC)c4)CC3)ccc2c1=O	216850740	BENYJTZJPYSAOV-INIZCTEOSA-N	436.512	2.237	70	20	IEID	
CN(C)CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848946419	FQNHBLWDZYOOAX-UHFFFAOYSA-N	429.495	2.036	70	20	IEID	
O=C1NCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]1c1cccc(Br)c1	865209212	LANCJIYXYUWFST-HNNXBMFYSA-N	441.278	2.421	70	20	IEID	
CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)c1	793411072	XUHVCQFCFGKCGX-UHFFFAOYSA-N	431.463	2.469	70	20	IEID	
O=C(NCCN1CCS(=O)(=O)CC1)C1(c2cccc(Br)c2)CCCC1	216646669	NFEXCCLUDKBMSX-UHFFFAOYSA-N	429.380	2.108	70	20	IEID	
NC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848946757	YGQZPCKXFGZOJF-UHFFFAOYSA-N	441.506	2.235	70	20	IEID	
Cc1cc(=O)c(C(=O)Nc2cccc(S(=O)(=O)F)c2)nn1-c1ccccc1[N+](=O)[O-]	769659143	FICLRZCVHNJODZ-UHFFFAOYSA-N	432.389	2.360	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1(S(=O)(=O)c2ccccc2)CCOCC1	808731061	PUSLNFMBBODACS-UHFFFAOYSA-N	427.475	2.306	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	809280854	LEBRDXHJRBLYIE-AWEZNQCLSA-N	426.491	2.384	70	20	IEID	
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1262673404	LUZMAMCXQPFGDE-HEHNFIMWSA-N	439.490	2.410	70	20	IEID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1)C(F)F	217094295	ZHIMXCABPGANDX-UHFFFAOYSA-N	444.525	2.331	70	20	IEID	
CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1	217099141	LKTHQUUYUIOVLL-MJGOQNOKSA-N	431.562	2.418	70	20	IEID	
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)c1	768885844	DDCDIFXNZSJVQC-UHFFFAOYSA-N	427.884	2.203	70	20	IEID	
O=C(CN1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1)N1CCCCC1	216992698	MFALSNGIZMZSCN-UHFFFAOYSA-N	446.552	2.430	70	20	IEID	
CCn1c(CN[C@H](C)c2ccccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	216632510	SBTILVOIEZMNFW-MRXNPFEDSA-N	429.546	2.323	70	20	IEID	
CSc1ccc(NC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1	217149637	SKCWLFQXRMRRGE-UHFFFAOYSA-N	429.571	2.234	70	20	IEID	
O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCN(c2ccccn2)C1	218086161	XBUGPQIKVYYSQX-LBPRGKRZSA-N	429.329	2.062	70	20	IEID	
C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)n1cccn1	217196877	IDXYPKQHCCRXNQ-QAPCUYQASA-N	437.466	2.312	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)[C@@H]1CCS(=O)(=O)C1	218078213	NRBIOWURTOWORN-GOSISDBHSA-N	435.594	2.292	70	20	IEID	
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(S(=O)(=O)F)cc1	776368125	NTZUECKYGVJUSP-UHFFFAOYSA-N	443.474	2.309	70	20	IEID	
CC(C)C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1	218523395	OFAXZOWYCUHITD-KRWDZBQOSA-N	426.355	2.042	70	20	IEID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)C(F)F	217088097	YZLRKSGXHDLMPZ-UHFFFAOYSA-N	430.498	2.189	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(Br)cc2)[C@H](C)O)cc1	218284664	AODHBAASNRFOLU-LRDDRELGSA-N	427.320	2.424	70	20	IEID	
O=C(O)c1ccn(-c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1	771829970	OHNOYDNEUIVEBE-UHFFFAOYSA-N	425.419	2.030	70	20	IEID	
CCOCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771830787	DBZZYJALNZZGQG-UHFFFAOYSA-N	444.506	2.302	70	20	IEID	
NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	809281810	ZFRREBGNOXHBOO-YFWYWMRJSA-N	445.472	2.087	70	20	IEID	
Cc1nnc(S)n1-c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945169	JGCAHPXPRHLYEW-UHFFFAOYSA-N	428.492	2.323	70	20	IEID	
Cn1ccnc1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	218448465	WDBSWQRQOXOIHV-LLVKDONJSA-N	448.364	2.388	70	20	IEID	
COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)F)c2)C1=O	809281631	SKHSTAVSALCTNT-FQEVSTJZSA-N	449.460	2.068	70	20	IEID	
CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)N(C)C	1336412578	HOZXJPCULHTCJE-UHFFFAOYSA-N	430.479	2.246	70	20	IEID	
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1336961600	MUZPEJVZKDMGRQ-ZDUSSCGKSA-N	426.489	2.445	70	20	IEID	
Cc1ccc(NC(=O)c2nnc(CN3CCN(CC(=O)N4CCCCC4)CC3)s2)cc1	218486625	WVVZUHCVTOYGPC-UHFFFAOYSA-N	442.589	2.229	70	20	IEID	
CCNC(=O)N1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)CC1	218189175	DYHQCURKHDGDJN-QGZVFWFLSA-N	430.452	2.310	70	20	IEID	
O=C(NCc1ccnc(N2CCCCCC2)c1)C1CCN(c2ccc3nncn3n2)CC1	216985371	MGDGYBFPJCQNEZ-UHFFFAOYSA-N	434.548	2.433	70	20	IEID	
CCOc1ccccc1C(=O)N[C@H](C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)C(C)C	216971763	QIQUHTGHAQNXAQ-KNQAVFIVSA-N	430.593	2.078	70	20	IEID	
CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1cccc(S(=O)(=O)F)c1	809282573	NSJIJPYDSVYENS-ZDUSSCGKSA-N	429.495	2.277	70	20	IEID	
O=C(NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CC(=O)N(Cc2ccco2)C1	216974555	BCPKUBSDROHMTJ-SNVBAGLBSA-N	434.367	2.291	70	20	IEID	
COc1ccc(C(=O)NC2=S=C(C(=O)Nc3cccc(S(=O)(=O)F)c3)C=C2)cc1	809281054	FKHLROORBZJFHV-UHFFFAOYSA-N	434.470	2.327	70	20	IEID	
Cc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1	771830371	XYWMTLBGUCFENX-UHFFFAOYSA-N	425.467	2.047	70	20	IEID	
CCN(CC)CCN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1	217622058	VVWVICUSYGJNRA-LJQANCHMSA-N	444.601	2.332	70	20	IEID	
C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2C1	771831836	PUDKKIOPELVCEP-SNVBAGLBSA-N	432.520	2.154	70	20	IEID	
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1347188870	IKUURHYSNNHTPK-ZDUSSCGKSA-N	433.465	2.242	70	20	IEID	
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccnc1	216727628	SFDRDNLNSKWEDE-GOSISDBHSA-N	442.585	2.144	70	20	IEID	
O=C(CN1CCN(Cc2ccncc2)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1	216677622	QYZWKTIUBQYTTI-UHFFFAOYSA-N	445.970	2.336	70	20	IEID	
Cc1cc(NC(=O)C2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)CC2)no1	217626237	XMTQCPOCVAQPSM-UHFFFAOYSA-N	449.305	2.353	70	20	IEID	
Cc1cn2c(CN(C)C(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)c(C)nc2s1	217128198	KOZRODNSWIINDQ-UHFFFAOYSA-N	431.543	2.052	70	20	IEID	
CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1338260968	QQVZZWRZDIQASW-ZDUSSCGKSA-N	425.482	2.459	70	20	IEID	
COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771830398	YOLNZJQQROZNDC-UHFFFAOYSA-N	442.490	2.390	70	20	IEID	
CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1nc2ccsc2c(=O)[nH]1	217712183	PKARPEIGGNXGDR-UHFFFAOYSA-N	431.543	2.094	70	20	IEID	
CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(S(=O)(=O)F)cc1	865206614	OCWSGCKDAVYDLG-UHFFFAOYSA-N	429.491	2.289	70	20	IEID	
Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c1C	1120785044	KLDICLVIUSXMLP-UHFFFAOYSA-N	433.505	2.358	70	20	IEID	
CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1519145355	ASMLMHFETGRYEH-UHFFFAOYSA-N	446.298	2.214	70	20	IEID	
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	865205417	KRSKYNXDZUTAJI-HEHNFIMWSA-N	439.490	2.410	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	809280855	LEBRDXHJRBLYIE-CQSZACIVSA-N	426.491	2.384	70	20	IEID	
O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347189097	MCTMVUCSUVYQQE-UHFFFAOYSA-N	447.444	2.092	70	20	IEID	
COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc(S(=O)(=O)F)cc3)cn2)cc1	865207834	XGZOPMDSJRQPNZ-UHFFFAOYSA-N	432.433	2.441	70	20	IEID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@H](C(N)=O)c1cccc(Br)c1	1354470462	YYUHTGFHZIAUBP-AWEZNQCLSA-N	429.267	2.406	70	20	IEID	
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865207804	PZYFZBCOYXZGPO-MRXNPFEDSA-N	434.489	2.405	70	20	IEID	
CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	217141318	ABOOAWIRTHYXMO-UHFFFAOYSA-N	439.397	2.275	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	865207955	ZHIWZVHFIFIBSV-SFHVURJKSA-N	446.548	2.414	70	20	IEID	
COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]2CCS(=O)(=O)C2)cc1	1337667442	RPNQUSXXGRKVAM-MRXNPFEDSA-N	441.502	2.183	70	20	IEID	
CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	1116637663	KDEGEEGYKVZWHK-UHFFFAOYSA-N	427.884	2.203	70	20	IEID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)NC2CC2)c1	771829865	MEONAYRYBXMTJV-UHFFFAOYSA-N	428.463	2.046	70	20	IEID	
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nnn1Cc1ccccc1F	848945295	LHJOZJOFVLQYDR-UHFFFAOYSA-N	428.442	2.233	70	20	IEID	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)F)cc1	865206170	YFVLQFMVDMURKW-UHFFFAOYSA-N	426.491	2.059	70	20	IEID	
O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(S(=O)(=O)F)c1	1262673504	QCNBQNYDFOHMIM-UHFFFAOYSA-N	440.518	2.449	70	20	IEID	
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccc(N2CCCC2=O)cc1	217581049	JRAGIXOIBFESKV-UHFFFAOYSA-N	442.479	2.025	70	20	IEID	
O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cccc(S(=O)(=O)F)c1	809280767	HSAAQLSDLCUBGU-UHFFFAOYSA-N	440.250	2.456	70	20	IEID	
CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865207111	AHXKTNBTDLSZHM-UHFFFAOYSA-N	430.479	2.246	70	20	IEID	
COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(OC)c(OC)c1	865205852	NEIZBLAPHAVCBN-OAHLLOKOSA-N	425.434	2.396	70	20	IEID	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1	217211450	HBHMVGYNJZJSKC-MJGOQNOKSA-N	427.467	2.406	70	20	IEID	
CN(C)c1cccc(-c2nnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)o2)c1	848948156	FIYYKFDKNHFWNN-UHFFFAOYSA-N	426.451	2.262	70	20	IEID	
C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1cc(F)c(Cl)cc1Cl	218006148	OTBBCUTWABEATM-CYBMUJFWSA-N	447.338	2.380	70	20	IEID	
CCCCN1C(=O)CC[C@H](C(=O)NCCN2CCN(C)CC2)[C@@H]1c1ccccc1OC	218571891	UEEGDKNDAFSUBZ-REWPJTCUSA-N	430.593	2.139	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cc1	848947071	QOAOMVYTIWFPDN-UHFFFAOYSA-N	441.462	2.123	70	20	IEID	
Cc1ccn2c(CN3CCN(C(=O)CCNC(=O)Cc4ccccc4)CC3)c(C)nc2c1	217808389	DPWNGKIBQSQHCU-UHFFFAOYSA-N	433.556	2.344	70	20	IEID	
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1346342551	XMBWQFLQUFXZTI-UHFFFAOYSA-N	428.917	2.268	70	20	IEID	
Cc1ccccc1N(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(C)C	216927124	SEZGWVKKAIJBPU-UHFFFAOYSA-N	434.562	2.348	70	20	IEID	
C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149793	CIAUVTRUWNCVAU-MRXNPFEDSA-N	443.548	2.232	70	20	IEID	
CSC[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	809281038	NZVPIRBKWDEEMZ-ZNMIVQPWSA-N	428.507	2.190	70	20	IEID	
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1cccc(S(=O)(=O)F)c1	809281619	RYZBMVLYZOVWOV-HXUWFJFHSA-N	431.445	2.282	70	20	IEID	
CN(CCCC(=O)Nc1cccc(S(=O)(=O)F)c1)C1=NS(=O)(=O)c2ccccc21	809282700	WGBQIGSRWKGUTI-UHFFFAOYSA-N	439.490	2.144	70	20	IEID	
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)F)cc1	865206616	OEOSUJSWBHSUMI-UHFFFAOYSA-N	428.507	2.103	70	20	IEID	
CN1CCN(CCNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1	217086207	VLFLXMLOUAGXMQ-UHFFFAOYSA-N	436.965	2.118	70	20	IEID	
Cc1cc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)n(-c2ccc(F)cc2)n1	217365225	ZCDFGWQVBXTIEZ-UHFFFAOYSA-N	427.461	2.339	70	20	IEID	
Cc1c(NC(=O)[C@H](C)N2CCN(Cc3ccncc3)CC2)c(=O)n(-c2ccccc2)n1C	216670466	HPOUTEUBVNLKPL-IBGZPJMESA-N	434.544	2.024	70	20	IEID	
NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cs1	217196772	KYUZKKWWPRXYRK-AWEZNQCLSA-N	433.477	2.419	70	20	IEID	
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1	217232979	LKRIEKRCSQPMAQ-KHYOSLBOSA-N	441.561	2.470	70	20	IEID	
O=C1NCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]1c1ccccc1Br	865209368	QPKNCGCJSOZRPH-HNNXBMFYSA-N	441.278	2.421	70	20	IEID	
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1Cl	771831959	ULMQIMRKYQLIKV-UHFFFAOYSA-N	442.899	2.171	70	20	IEID	
CS(=O)(=O)c1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc(C(F)(F)F)c1	1517976471	URFWBNSQXUJLLR-UHFFFAOYSA-N	428.385	2.025	70	20	IEID	
N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(S(=O)(=O)F)cc3)C2=O)cc1	776362783	FEEYOENFDCFIFY-MRXNPFEDSA-N	430.417	2.060	70	20	IEID	
O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cccc(S(=O)(=O)F)c1	1336921941	QXOZGMCGCLSXHF-UHFFFAOYSA-N	426.429	2.455	70	20	IEID	
Cn1ccnc1COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	218448537	WDBSWQRQOXOIHV-NSHDSACASA-N	448.364	2.388	70	20	IEID	
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(S(=O)(=O)F)c3)n(C)c2)C1	809280928	BCSVMDXJDWOPGJ-ZDUSSCGKSA-N	443.522	2.356	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)s1	865205629	HYPBKXIYCWNGKO-UHFFFAOYSA-N	434.536	2.367	70	20	IEID	
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	865209475	VUMNHPTWOQPSTI-SNVBAGLBSA-N	426.397	2.028	70	20	IEID	
CCn1c(=O)n(CC(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c2ccccc21	217053991	GJLRCQMJRYAEOZ-UHFFFAOYSA-N	446.555	2.432	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1	1263716902	QOLRBIGJQRYEQE-UHFFFAOYSA-N	439.900	2.322	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2	809280654	CHQZPTVYDAGQCZ-UHFFFAOYSA-N	427.322	2.185	70	20	IEID	
O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1123616450	JIVCOQUJJFKRIR-UHFFFAOYSA-N	437.474	2.404	70	20	IEID	
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cccc(S(=O)(=O)F)c1	1515238109	ZNVRMYDTFCEAHL-UHFFFAOYSA-N	428.507	2.352	70	20	IEID	
O=C(CN1CCN(Cc2ccncc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1	216673595	WACINRANRDIQDS-UHFFFAOYSA-N	445.449	2.437	70	20	IEID	
COc1ccc(CCC(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1336419175	RPVBMDCGWHLTJI-UHFFFAOYSA-N	434.489	2.271	70	20	IEID	
Cc1ccc(CN2CCOCC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848947204	ZTQRVQRDIFLLDE-UHFFFAOYSA-N	428.507	2.286	70	20	IEID	
O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccc(S(=O)(=O)F)cc1	865206193	YLQYLIPZGYCEIJ-UHFFFAOYSA-N	426.429	2.455	70	20	IEID	
COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1ccc(S(=O)(=O)F)cc1	865207913	YYRPPUBRXXBOTJ-UHFFFAOYSA-N	425.434	2.177	70	20	IEID	
CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C1	848947776	JCKHSSGYKZFHMH-CHWSQXEVSA-N	445.494	2.272	70	20	IEID	
O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(S(=O)(=O)F)c1	814211714	NGHCEULCKWAGNV-UHFFFAOYSA-N	440.474	2.163	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	1337667585	UGGQNQNFQRQSLB-UHFFFAOYSA-N	441.506	2.050	70	20	IEID	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)N(CC)CC	1336923205	ZMLPUKJNBCUTNL-UHFFFAOYSA-N	447.510	2.354	70	20	IEID	
NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1346290310	DBYZRJMCJYOKCP-UHFFFAOYSA-N	430.461	2.417	70	20	IEID	
O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)n[nH]2)c1	780394981	GAQRCGBVILGZHR-UHFFFAOYSA-N	426.407	2.444	70	20	IEID	
COCC[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771829453	CVYSRAMZKAYZML-VWLOTQADSA-N	435.520	2.041	70	20	IEID	
NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1320491312	GQUUVQUUYCNCEC-UHFFFAOYSA-N	437.268	2.007	70	20	IEID	
CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C1	848947777	JCKHSSGYKZFHMH-OLZOCXBDSA-N	445.494	2.272	70	20	IEID	
C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	217185547	AOPIYJSWAXQACR-SNVBAGLBSA-N	428.864	2.019	70	20	IEID	
CC(=O)c1sc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)nc1-c1ccccc1	218056242	LECBGZCDEPGCFF-UHFFFAOYSA-N	449.286	2.264	70	20	IEID	
COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]2CCS(=O)(=O)C2)cc1	865207999	SPNAOISCGRIIIX-INIZCTEOSA-N	441.502	2.183	70	20	IEID	
Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1336961749	ORVFRLKRPLCYAV-MRXNPFEDSA-N	434.489	2.405	70	20	IEID	
Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nn1-c1ccccc1[N+](=O)[O-]	763176723	NLVQDAFEAKSXIX-UHFFFAOYSA-N	432.389	2.360	70	20	IEID	
O=C1NCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1c1cccc(Br)c1	865209213	LANCJIYXYUWFST-OAHLLOKOSA-N	441.278	2.421	70	20	IEID	
CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)[C@@H](c2ccccc2)C1	216742369	PAUGHMRFAIXUSI-JOCHJYFZSA-N	442.585	2.398	70	20	IEID	
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1262673265	GCMNNRGBHSPHCA-UHFFFAOYSA-N	440.880	2.362	70	20	IEID	
CN1CCC(CNC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1	216909051	MRJOBPUANZENOI-UHFFFAOYSA-N	441.389	2.164	70	20	IEID	
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1	217625591	BZNPCKYEJXKLPV-CYBMUJFWSA-N	448.976	2.096	70	20	IEID	
CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cc1F	768889404	AMTMYJVQAJNWJT-UHFFFAOYSA-N	440.471	2.046	70	20	IEID	
O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1121032605	UUOUHOXTEZOYJZ-MRXNPFEDSA-N	449.426	2.495	70	20	IEID	
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1	216900518	NZABWPRVBJPRDB-IRXDYDNUSA-N	443.560	2.305	70	20	IEID	
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)F)c1)CCC2	1340089209	ZNXFYQKQUDSWJR-UHFFFAOYSA-N	426.491	2.188	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	1347809566	LJEDYQOLZWWFIG-UHFFFAOYSA-N	444.481	2.021	70	20	IEID	
COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1OC	776364760	XMFCJFSWYNKGRW-UHFFFAOYSA-N	431.463	2.165	70	20	IEID	
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)F)c1	1120866421	PTKWUPXLTZFRLE-UHFFFAOYSA-N	428.507	2.103	70	20	IEID	
CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)F)c1	1354031491	DPYNCIZTRDCQQL-UHFFFAOYSA-N	449.504	2.282	70	20	IEID	
O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N[C@H](c1ccccc1)C1CC1	218764952	JNBWHHVRFMNMIL-JOCHJYFZSA-N	437.569	2.141	70	20	IEID	
CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1cccc(S(=O)(=O)F)c1	1120786532	LGHNZJIXLYMZDB-UHFFFAOYSA-N	429.491	2.289	70	20	IEID	
O=C(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771830805	DJMKBJFDFAEOKZ-UHFFFAOYSA-N	440.396	2.438	70	20	IEID	
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1262673700	ZAWAGEYOHXZFBJ-UHFFFAOYSA-N	428.507	2.304	70	20	IEID	
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865205276	JXEATXGRHSGIEP-FXBPSFAMSA-N	439.490	2.410	70	20	IEID	
O=C(NCCc1ccc(I)s1)c1cc(S(=O)(=O)F)c[nH]1	1336962297	XSUPDMQOQNROAR-UHFFFAOYSA-N	428.248	2.312	70	20	IEID	
O=C(CN1CCN(Cc2ccncc2)CC1)Nc1ccccc1C(=O)NCc1ccco1	216679546	UTNBGYILUAVUKP-UHFFFAOYSA-N	433.512	2.361	70	20	IEID	
CN(C[C@@H](O)Cn1c(-c2ccccc2)noc1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O	217146765	ZDZTWOVTMGZRMK-VQIMIIECSA-N	442.903	2.255	70	20	IEID	
COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)F)c2)C1=O	809281632	SKHSTAVSALCTNT-HXUWFJFHSA-N	449.460	2.068	70	20	IEID	
CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)c1cccc(S(=O)(=O)F)c1	1336961507	KJKRSZKFNBSSQO-UHFFFAOYSA-N	429.491	2.289	70	20	IEID	
CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1Cl	848944963	DEWPSEZQCDBXDK-UHFFFAOYSA-N	427.884	2.203	70	20	IEID	
O=C(Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)F)cc1	865207433	NQOBWMKUTBKVBZ-UHFFFAOYSA-N	445.472	2.411	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(O)(c2scnc2Br)CC1	1349623186	WLYWJYSEJDXERP-UHFFFAOYSA-N	438.300	2.016	70	20	IEID	
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCN(Cc2ccccn2)CC1	216919124	DLRRNNFEKHNZBJ-JOCHJYFZSA-N	427.524	2.121	70	20	IEID	
CCOC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc(S(C)(=O)=O)c1	865208402	IOHPABVHFTYTQT-UHFFFAOYSA-N	429.447	2.177	70	20	IEID	
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(S(=O)(=O)F)c1	809281180	JFELQXQJXJWRGT-UHFFFAOYSA-N	441.234	2.342	70	20	IEID	
Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(N5CCOCC5)ccn4)CC3)n2)cc1	217998079	FGYLLKREBOJQDP-UHFFFAOYSA-N	448.527	2.235	70	20	IEID	
C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1cc(F)c(Cl)cc1Cl	218006234	OTBBCUTWABEATM-ZDUSSCGKSA-N	447.338	2.380	70	20	IEID	
Cc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)n(-c2ccc(F)cc2)n1	218445474	OEFPGSZRUNZENN-UHFFFAOYSA-N	440.479	2.119	70	20	IEID	
CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)CC1	848946590	OWSYCJLEAQJISJ-UHFFFAOYSA-N	427.523	2.288	70	20	IEID	
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1F	1345452132	OZNUEXZYDHHZDJ-UHFFFAOYSA-N	425.457	2.289	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	776368490	WPHCLCKDCJCSEW-SNVBAGLBSA-N	425.369	2.384	70	20	IEID	
O=C(NCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl	218390655	DLFOIINJJGWMHN-LBPRGKRZSA-N	426.947	2.463	70	20	IEID	
COCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)ccc21	848947651	BMALFDIUYALRMF-UHFFFAOYSA-N	428.463	2.029	70	20	IEID	
CCOc1ccc(NC(=O)CN2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc1	1336962304	XXVCIBLAAPVVGI-UHFFFAOYSA-N	449.504	2.140	70	20	IEID	
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccn1	216663698	CZQQYFQZTLHROZ-GOSISDBHSA-N	438.553	2.419	70	20	IEID	
NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)CN(Cc1cccnc1)c1ccccc1	217233963	KIOOAOPSKDXOEM-FQEVSTJZSA-N	431.496	2.069	70	20	IEID	
CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)F)c3)cc2CC1	790068039	KJXRMGSYYMJLIJ-UHFFFAOYSA-N	426.491	2.093	70	20	IEID	
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865206620	OJWGLVHGHGNCGN-UHFFFAOYSA-N	428.507	2.304	70	20	IEID	
CCCS(=O)(=O)Nc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(F)cc1F	1527566855	YEZFUHXNUJJJIJ-UHFFFAOYSA-N	425.410	2.355	70	20	IEID	
CN1CCC(N(Cc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1	217175577	NBJHQNCAGLXGNO-UHFFFAOYSA-N	431.967	2.396	70	20	IEID	
O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771831020	GMFLQCGMVFAUEI-UHFFFAOYSA-N	440.396	2.438	70	20	IEID	
O=C1NCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1c1ccc(Br)cc1	865210477	HAVPRVFFFUSSAV-OAHLLOKOSA-N	441.278	2.421	70	20	IEID	
CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)n2)cc1	1123524649	SSCWBVDOHPTPOT-UHFFFAOYSA-N	444.491	2.420	70	20	IEID	
Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	216649155	RJHJADNMPWUXHC-UHFFFAOYSA-N	433.512	2.090	70	20	IEID	
COCCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1	217211445	HBHMVGYNJZJSKC-PKOBYXMFSA-N	427.467	2.406	70	20	IEID	
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	763176736	NXTNQKUXKOSZAC-UHFFFAOYSA-N	429.495	2.110	70	20	IEID	
CC(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771829431	CJBSMAXHTSWOLT-UHFFFAOYSA-N	435.520	2.469	70	20	IEID	
NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)cc2)C1	217240583	BKGIFNXJOLPGTF-GGAORHGYSA-N	436.556	2.223	70	20	IEID	
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945963	YPGXWQUBAIUWDI-QGZVFWFLSA-N	442.490	2.064	70	20	IEID	
O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1)Nc1ccc(Cl)cc1	1338260106	JYVKFRIGMQTHQO-UHFFFAOYSA-N	439.896	2.395	70	20	IEID	
CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1	217182348	HYOIWTWHIJMWCN-HNNXBMFYSA-N	427.332	2.359	70	20	IEID	
CCCCn1c(N)c(N(CC)Cc2cc3c(cc2Br)OCO3)c(=O)[nH]c1=O	217791325	ITYJDMTUTQHFNT-UHFFFAOYSA-N	439.310	2.437	70	20	IEID	
COc1ccc(Cn2nccc2NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(OC)c1OC	1120867066	VJCWMONCOJRICE-UHFFFAOYSA-N	438.437	2.196	70	20	IEID	
O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1)Nc1ccccc1Cl	865205717	JVUOCEILTMFXEN-UHFFFAOYSA-N	439.896	2.395	70	20	IEID	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472089	KBKJAUULZZHNGO-UHFFFAOYSA-N	432.271	2.455	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1	865208318	ZCURKYHXCBCCOM-UHFFFAOYSA-N	445.516	2.082	70	20	IEID	
O=C1NCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1c1ccc(Br)cc1	1517974654	ICUDYQGTIXKTGJ-OAHLLOKOSA-N	441.278	2.421	70	20	IEID	
CSC[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	809281037	NZVPIRBKWDEEMZ-SOUVJXGZSA-N	428.507	2.190	70	20	IEID	
O=C(NCCCN1CCCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	216920976	RKQDCNOADQIZHD-UHFFFAOYSA-N	426.558	2.108	70	20	IEID	
NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)CN(Cc1cccnc1)c1ccccc1	217233965	KIOOAOPSKDXOEM-HXUWFJFHSA-N	431.496	2.069	70	20	IEID	
N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc(S(=O)(=O)F)c3)C2=O)cc1	809281214	RYTISBMBIYXYPK-MRXNPFEDSA-N	430.417	2.060	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H](C)O)cc1	218284570	AODHBAASNRFOLU-WBMJQRKESA-N	427.320	2.424	70	20	IEID	
COC(=O)CCCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771829423	CFIPFHHSDZTDRH-UHFFFAOYSA-N	431.463	2.478	70	20	IEID	
COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(Br)cc1	1337667592	UKKUJZACASAODF-LBPRGKRZSA-N	433.255	2.470	70	20	IEID	
C[C@H](NC(=O)c1[nH]nc2ccccc12)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1	216777276	ZWWQGQLBBUZPNB-HNNXBMFYSA-N	437.475	2.195	70	20	IEID	
CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(Cc2cc(C)no2)CC1	217392908	XSZZFHRJSWZBJT-UHFFFAOYSA-N	427.549	2.286	70	20	IEID	
O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1	1336410236	CYRLLCULQWQKKL-UHFFFAOYSA-N	429.473	2.353	70	20	IEID	
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccn1	216640100	SRMZZQWIXJEKNW-SFHVURJKSA-N	442.585	2.144	70	20	IEID	
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)NC(C)C	769661262	ZWHWBBYOHWFIHO-UHFFFAOYSA-N	430.479	2.292	70	20	IEID	
COC(=O)c1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)sc2c1CCOC2	848949164	ZZVIVINYDVDUAD-UHFFFAOYSA-N	435.476	2.066	70	20	IEID	
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccnc1	216730722	ZHYCZMHWHMBXRP-GOSISDBHSA-N	438.553	2.419	70	20	IEID	
O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865205131	HISYMLMBZHWCSW-UHFFFAOYSA-N	429.473	2.353	70	20	IEID	
Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2)cc1	216779364	QMOBUJMPHJPDGD-WMZOPIPTSA-N	448.614	2.250	70	20	IEID	
CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771839017	CRGXIIKVBXOCFT-UHFFFAOYSA-N	430.479	2.246	70	20	IEID	
O=C(NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CC(=O)N(Cc2ccco2)C1	216974570	BCPKUBSDROHMTJ-JTQLQIEISA-N	434.367	2.291	70	20	IEID	
CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Cc1cccnc1	216663805	KMVIUBHSAZVLMZ-UHFFFAOYSA-N	438.553	2.200	70	20	IEID	
Cc1ccc(C)c(-n2nc(C)c(CN3CCN(C(=O)CN4CCOCC4)CC3)c2Cl)c1	218048924	ZIXJNBIMQRGOQP-UHFFFAOYSA-N	445.995	2.427	70	20	IEID	
CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	771829816	KVNDDSLOQPJKTG-UHFFFAOYSA-N	436.508	2.297	70	20	IEID	
CN(C)CCOc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	865208292	XYSMNRYLCKKVAP-UHFFFAOYSA-N	435.521	2.248	70	20	IEID	
CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc(S(C)(=O)=O)c1	1262733308	NRNUVJKDOSNQHY-UHFFFAOYSA-N	429.447	2.177	70	20	IEID	
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1ccc(S(=O)(=O)F)cc1	865206665	PVZJZDWFHSZIDJ-UHFFFAOYSA-N	428.507	2.352	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H](C)O)cc1	216798489	VJZMCGHWJJNERJ-CXAGYDPISA-N	430.448	2.358	70	20	IEID	
Cc1ccc(CN2CCCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2)cc1	218094958	WHVARSBHGVLXHF-RUZDIDTESA-N	434.540	2.497	70	20	IEID	
O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1348707688	OTMADDUENWRPLI-UHFFFAOYSA-N	431.449	2.320	70	20	IEID	
COc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)N1CCCCC1	1263696999	ILGHLRPEJTXJHR-UHFFFAOYSA-N	445.494	2.108	70	20	IEID	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN(Cc2cccnc2)C2CC2)CC1	216713015	KYBSDBLLAACZBI-UHFFFAOYSA-N	435.572	2.446	70	20	IEID	
CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	776362745	DEKCTHNZNDGBSA-CYBMUJFWSA-N	429.495	2.277	70	20	IEID	
CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)C(C)C	216971746	QIQUHTGHAQNXAQ-DENIHFKCSA-N	430.593	2.078	70	20	IEID	
CC(C)[C@H](NC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccccc1	217149602	XIBHTFGCKAGEOZ-QFIPXVFZSA-N	439.585	2.387	70	20	IEID	
NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	776368549	XNNHSTASPWDEPJ-OHMHXEGESA-N	445.472	2.087	70	20	IEID	
O=C1CSC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771830211	VQZULUDRRAOYMR-UHFFFAOYSA-N	444.487	2.341	70	20	IEID	
CC(C)n1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1	217099159	LKTHQUUYUIOVLL-HKUYNNGSSA-N	431.562	2.418	70	20	IEID	
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)c(C)s1	1515237857	YBCNOOSHXHEPDD-UHFFFAOYSA-N	446.547	2.170	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12	776363221	HARHENAFMUYDJN-UHFFFAOYSA-N	441.487	2.209	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	808740445	KPFMPOHAYARMKX-KRWDZBQOSA-N	426.491	2.445	70	20	IEID	
CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)CC1	217019948	OOAJLHRXJBIIRH-JKSUJKDBSA-N	438.498	2.480	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	776368489	WPHCLCKDCJCSEW-JTQLQIEISA-N	425.369	2.384	70	20	IEID	
CN1CC(=O)N(CCCC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1=O	217197021	KZYJKJHURIHDAA-MRXNPFEDSA-N	426.439	2.070	70	20	IEID	
O=C(NN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1	218259232	VCGYDBKCPLUKQT-LBPRGKRZSA-N	436.397	2.428	70	20	IEID	
O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771830734	BKBREJZUCDOALA-ZDUSSCGKSA-N	442.490	2.054	70	20	IEID	
CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	776362746	DEKCTHNZNDGBSA-ZDUSSCGKSA-N	429.495	2.277	70	20	IEID	
O=C(c1cccc(S(=O)(=O)F)c1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1	1337520073	PARDFHQXBSWILF-HNNXBMFYSA-N	429.466	2.313	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2	776368340	SCLJCESUCBHZTE-UHFFFAOYSA-N	427.322	2.185	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1	848947428	NWRZMWUAWANVIN-UHFFFAOYSA-N	447.409	2.439	70	20	IEID	
O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCN(c2ccccn2)C1	218086237	XBUGPQIKVYYSQX-GFCCVEGCSA-N	429.329	2.062	70	20	IEID	
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1N1CCOC1=O	771839382	HRYPNGHJBOLGDK-UHFFFAOYSA-N	430.435	2.111	70	20	IEID	
COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520865077	GREFTJUGWKNTEH-UHFFFAOYSA-N	430.357	2.227	70	20	IEID	
CCN(C(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1	216750557	UBKDNGXVNMWQRZ-GXTWGEPZSA-N	433.368	2.144	70	20	IEID	
Cc1ccc(CN2CCCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2)cc1	218094888	WHVARSBHGVLXHF-VWLOTQADSA-N	434.540	2.497	70	20	IEID	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	776364425	SNVVALIBIOVVIV-KRWDZBQOSA-N	426.491	2.445	70	20	IEID	
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1	1337666586	BQBRJVMDLLGYMR-UHFFFAOYSA-N	435.399	2.458	70	20	IEID	
O=C(O)c1cc2c(cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)OCCCO2	771831085	ISIUWUCRGQGYBK-UHFFFAOYSA-N	431.419	2.005	70	20	IEID	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1S(=O)(=O)N1CCCC1	1515237362	KRADGAJJABKUSR-UHFFFAOYSA-N	445.494	2.108	70	20	IEID	
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)n1	216772142	ZYZZXILHAFJXGG-NRFANRHFSA-N	449.559	2.189	70	20	IEID	
Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)no2)cc1	848947220	AVDKSMNEWZWFPD-UHFFFAOYSA-N	427.435	2.416	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	865205144	ACHCDCYFNPXEBT-UHFFFAOYSA-N	446.909	2.145	70	20	IEID	
O=C1NCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]1c1ccccc1Br	1336953715	IWHZQZSIGAKTDU-HNNXBMFYSA-N	441.278	2.421	70	20	IEID	
COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1349622211	GQCDWUCHQBLKFN-SNVBAGLBSA-N	449.298	2.025	70	20	IEID	
O=C1CCCC(=O)N1c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	771831964	USMWVAAGDFPORR-UHFFFAOYSA-N	426.447	2.189	70	20	IEID	
O=C1OCCN1c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cc1[N+](=O)[O-]	777651464	STPVXNUPHZCEGE-UHFFFAOYSA-N	445.406	2.010	70	20	IEID	
O=S(=O)(F)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1	780403125	NBYQIBYNGQKYFR-UHFFFAOYSA-N	447.409	2.439	70	20	IEID	
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O	217237014	MZSQARUZHWEZEC-OSPHWJPCSA-N	438.503	2.326	70	20	IEID	
C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccncc2)CC1	216677478	ISNPNJDYVDFESY-TVGZPFHWSA-N	425.577	2.382	70	20	IEID	
O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(S(=O)(=O)F)c1	1516701967	QJMXRJAOYZZINQ-UHFFFAOYSA-N	440.518	2.069	70	20	IEID	
CN1CCCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CC1	216841495	GYVNJSHZEZAUNV-RUZDIDTESA-N	432.524	2.330	70	20	IEID	
O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCN(c2ccccn2)C1	218086412	OVMARACBGHJXNT-CYBMUJFWSA-N	443.356	2.452	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccccc2OCCn2ccnc2)cc1	848946785	ZOIYLFBFXINGCO-UHFFFAOYSA-N	425.463	2.421	70	20	IEID	
CCN(CC)CCN(C(=O)c1cnn(-c2ccccc2F)c1C)[C@H]1CCS(=O)(=O)C1	218511074	FLMXEUFJRQUXSF-KRWDZBQOSA-N	436.553	2.291	70	20	IEID	
Cc1cc(N2CC[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)ccc1Br	1338399898	CRHRNYILTPBQIC-CYBMUJFWSA-N	444.282	2.279	70	20	IEID	
CCn1c(CN[C@H](C)c2cccnc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	216726893	OUOYMUJHECZMCK-MRXNPFEDSA-N	429.546	2.323	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2noc(Cc3ccc(F)cc3F)n2)cc1	848949060	UMZQFHMYBIGYAG-UHFFFAOYSA-N	433.389	2.398	70	20	IEID	
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(=O)(=O)F)cc1	865207076	IKDFQOCDCOHEKH-UHFFFAOYSA-N	440.518	2.449	70	20	IEID	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc(S(=O)(=O)F)c[nH]1	1123468744	QKTPKAVBZAQVSK-UHFFFAOYSA-N	435.886	2.363	70	20	IEID	
Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)cc1Br	159665598	URVLPWQUWZIYPT-MRVPVSSYSA-N	449.186	2.231	70	20	IEID	
CC(=O)N1CCC[C@H](C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)C1	216797166	ZHFJHTRWTXSKEY-KRWDZBQOSA-N	431.562	2.133	70	20	IEID	
CCN(CC)C(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1	218487059	MSZUPKJZCMNDHG-UHFFFAOYSA-N	430.578	2.085	70	20	IEID	
O=C(CN(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F	216656232	AULNQLNBYUVERD-ZIAGYGMSSA-N	449.342	2.195	70	20	IEID	
COC(=O)C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(OC)cc1OC	1338401166	TVXIWDWNTAGWKH-MRXNPFEDSA-N	425.434	2.396	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	809281741	WWLVRLKVTJGKMN-JTQLQIEISA-N	425.369	2.384	70	20	IEID	
CC(C)(C)OC(=O)NCCCn1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nn1	865204601	AHIHWADCNGHBKK-UHFFFAOYSA-N	427.458	2.103	70	20	IEID	
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	771717467	QCPXGOILYJINFA-BUXKBTBVSA-N	425.482	2.420	70	20	IEID	
COCCCN(Cc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CCS(=O)(=O)C1	216708178	GXONAJSWMOOFQK-LLVKDONJSA-N	434.312	2.118	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc([C@@H]3COc4ccccc4O3)o2)cc1	848948316	NQVYISHEEMOXHQ-AWEZNQCLSA-N	441.418	2.041	70	20	IEID	
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218765437	TVRNQSLBGCBADP-QZTJIDSGSA-N	439.585	2.448	70	20	IEID	
Cc1nc(COc2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cc2)no1	771830295	XHXPBHUVTDTKIH-UHFFFAOYSA-N	427.435	2.416	70	20	IEID	
CSC[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	776364848	YMEXPWBRUYVNJZ-ZNMIVQPWSA-N	428.507	2.190	70	20	IEID	
COc1cc2ncn(CCCC(=O)Nc3ccc(S(=O)(=O)F)cc3)c(=O)c2cc1OC	763176767	OHPUBNRRGMSNIW-UHFFFAOYSA-N	449.460	2.491	70	20	IEID	
COc1ccc(F)cc1CN1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1	216776442	NDIRFEWMHKCQDW-QFIPXVFZSA-N	428.552	2.371	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)[C@H]1CCS(=O)(=O)C1	217164525	SDAGUWSZNUCUKB-KRWDZBQOSA-N	435.594	2.292	70	20	IEID	
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	771717469	QCPXGOILYJINFA-HXPMCKFVSA-N	425.482	2.420	70	20	IEID	
CCOC(=O)c1cc(COC)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848945781	CLHIEKAQHBHZGO-UHFFFAOYSA-N	431.463	2.469	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12	809280861	LJXRWEQDMAOCTB-UHFFFAOYSA-N	441.487	2.209	70	20	IEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2ccc(Br)s2)CC1	1346040505	HRTAIPVFIKPMKP-UHFFFAOYSA-N	436.328	2.455	70	20	IEID	
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(S(=O)(=O)F)c1	771716537	IEUGLANSPPQLGF-UHFFFAOYSA-N	429.495	2.110	70	20	IEID	
CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218283195	ANGKFNFIZMSFPW-KRWDZBQOSA-N	444.561	2.368	70	20	IEID	
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccccc2)ccc1Br	218585156	NCXSJTKPGXJHDP-OAHLLOKOSA-N	427.320	2.163	70	20	IEID	
O=S1(=O)CCCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	217747438	ISTKNAQVTUJRPN-UHFFFAOYSA-N	447.170	2.021	70	20	IEID	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(S(=O)(=O)F)cc1	865205333	CMNVUVHRMPZKNY-UHFFFAOYSA-N	449.504	2.270	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cccc(S(=O)(=O)F)c1	1515237570	POWIIWKJDAVGLM-UHFFFAOYSA-N	425.463	2.068	70	20	IEID	
O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1)Nc1ccc(Cl)cc1	865209080	GYFOUZCHHJWHHL-UHFFFAOYSA-N	439.896	2.395	70	20	IEID	
NC(=O)C1CCN(CCc2ccc(NC(=O)c3cccc(S(=O)(=O)F)c3)cc2)CC1	1516701073	FRJXCLGKENMUON-UHFFFAOYSA-N	433.505	2.337	70	20	IEID	
COC(=O)c1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c(C)c([N+](=O)[O-])c1	792700616	LWVNOTUNOYAGTJ-UHFFFAOYSA-N	432.407	2.149	70	20	IEID	
O=C(c1cc(N2CCOCC2)ccn1)N1CCN(CCOc2ccccc2Cl)CC1	217589459	ZAXHPEUNZCQWGS-UHFFFAOYSA-N	430.936	2.408	70	20	IEID	
CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)CC1	217019906	OOAJLHRXJBIIRH-HZPDHXFCSA-N	438.498	2.480	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCn2ccc3ccccc32)[C@@H](C)O)cc1	216916192	QMZRIMQSSFSZDQ-DYESRHJHSA-N	429.542	2.184	70	20	IEID	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)F)c1	1337724796	IWWJKXRAEGLWEL-UHFFFAOYSA-N	426.491	2.059	70	20	IEID	
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1262673403	LUZMAMCXQPFGDE-FXBPSFAMSA-N	439.490	2.410	70	20	IEID	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(=O)(=O)N(C)C	865206030	QMIZJPLIEUBRAN-UHFFFAOYSA-N	430.479	2.246	70	20	IEID	
CC(=O)N1CCC[C@@H](C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)C1	216797126	ZHFJHTRWTXSKEY-QGZVFWFLSA-N	431.562	2.133	70	20	IEID	
COCCCN(Cc1noc2c1CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	217023944	NAAUSGLPSLMZSX-UHFFFAOYSA-N	439.516	2.077	70	20	IEID	
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Br)cc1	217986711	XMUQFFYROKFHRK-UHFFFAOYSA-N	435.303	2.136	70	20	IEID	
CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)F)cc1	865205450	MBRRDJSJOJJKJV-UHFFFAOYSA-N	449.504	2.282	70	20	IEID	
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1354469144	FMHWEIKIYKZGLW-INIZCTEOSA-N	437.449	2.093	70	20	IEID	
Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1	217175292	GXRKGTRDKCQKDD-IBGZPJMESA-N	427.574	2.038	70	20	IEID	
NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nnc(-c2ccc(Br)o2)o1	217100061	SEYFNOWZQUIOHQ-UHFFFAOYSA-N	425.264	2.302	70	20	IEID	
CS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)cc1	217140612	NSGVVFPKBRSIJU-UHFFFAOYSA-N	444.582	2.456	70	20	IEID	
O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1	1123743487	QWXRBOVJOZYDDZ-NSHDSACASA-N	433.383	2.223	70	20	IEID	
CSC[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	776364846	YMEXPWBRUYVNJZ-RBSFLKMASA-N	428.507	2.190	70	20	IEID	
O=C(NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1sc2ccccc2c1Cl	216693640	IMQJEDJOZXLHRV-UHFFFAOYSA-N	448.976	2.051	70	20	IEID	
O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1262732922	ZEFNECZMTNJFTA-UHFFFAOYSA-N	444.282	2.034	70	20	IEID	
Cc1ccn2c(CN3CCN(C(=O)CN4C(=O)[C@H](C)Oc5ccccc54)CC3)c(C)nc2c1	217586852	BUOIHWQYYJNQAC-IBGZPJMESA-N	447.539	2.409	70	20	IEID	
N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc(S(=O)(=O)F)c3)C2=O)cc1	809281212	RYTISBMBIYXYPK-INIZCTEOSA-N	430.417	2.060	70	20	IEID	
COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccc1OCCC(C)C	1123568575	VCBPOMJTXZIEBH-UHFFFAOYSA-N	427.454	2.181	70	20	IEID	
O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1)C(F)F	217088440	IVSFMSRIGCDHBN-UHFFFAOYSA-N	448.488	2.329	70	20	IEID	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1	218434965	CHPPSRKUXVIGFO-UHFFFAOYSA-N	430.574	2.081	70	20	IEID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@@H](C(N)=O)c1cccc(Br)c1	1354470467	YYUHTGFHZIAUBP-CQSZACIVSA-N	429.267	2.406	70	20	IEID	
C[C@H]1CN(Cc2csc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n2)C[C@H](C)O1	848946667	SQNRIHPVRGHDMD-RYUDHWBXSA-N	449.551	2.211	70	20	IEID	
O=C(NCCNC(=O)c1cccc(Br)c1)c1ccc(S(=O)(=O)F)cc1	865207030	HBLHENZERBUZAA-UHFFFAOYSA-N	429.267	2.267	70	20	IEID	
COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1	865208008	SPNAOISCGRIIIX-MRXNPFEDSA-N	441.502	2.183	70	20	IEID	
O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC[C@@H](c2nncn2C2CC2)C1	217098775	LUKCCLSMFFCYNT-APWZRJJASA-N	429.546	2.172	70	20	IEID	
O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(S(=O)(=O)F)cc1	865208895	AIWLUYANRRGQHV-UHFFFAOYSA-N	440.518	2.200	70	20	IEID	
O=C1NCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1c1ccccc1Br	865209369	QPKNCGCJSOZRPH-OAHLLOKOSA-N	441.278	2.421	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cccc(Br)c2)[C@@H](C)O)cc1	217490754	FEEDVJQPKBMADO-MLGOLLRUSA-N	427.320	2.424	70	20	IEID	
O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944137	MIYIPMVSSJTPMV-UHFFFAOYSA-N	430.523	2.261	70	20	IEID	
COc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)ccc1S(=O)(=O)N1CCCC1	865208341	ZMJIWFKOVIZPHT-UHFFFAOYSA-N	442.490	2.390	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc([C@H]3Cc4ccccc4O3)o2)cc1	848948084	ATPCTJLXMMKSFN-CQSZACIVSA-N	425.419	2.205	70	20	IEID	
O=C(NCCNC(=O)c1cccc(S(=O)(=O)F)c1)c1cccc(Br)c1	1338259641	DSRRJPLOMORGHR-UHFFFAOYSA-N	429.267	2.267	70	20	IEID	
CC(C)N1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)cc2S1(=O)=O	809281080	FXJYRUAPCPLWRX-UHFFFAOYSA-N	426.447	2.150	70	20	IEID	
C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1	217149728	WEUWBKRCPPINCJ-KRWDZBQOSA-N	437.569	2.242	70	20	IEID	
CCOC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)CCO2	848945125	HBMWDYUHDMMDHA-UHFFFAOYSA-N	429.447	2.109	70	20	IEID	
Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n2)cc1	216779269	QMOBUJMPHJPDGD-FUHWJXTLSA-N	448.614	2.250	70	20	IEID	
Cc1ccn2c(CN3CCN(C(=O)CN4C(=O)[C@@H](C)Oc5ccccc54)CC3)c(C)nc2c1	217586929	BUOIHWQYYJNQAC-LJQANCHMSA-N	447.539	2.409	70	20	IEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2nnc(CCOc3ccccc3)o2)cc1	848947673	CLMKZXQNKUARRF-UHFFFAOYSA-N	427.435	2.150	70	20	IEID	
CCn1c(=O)[nH]c2cc(C(=O)N3CCN([C@H](C)c4cccc(OC)c4)CC3)ccc2c1=O	216850770	BENYJTZJPYSAOV-MRXNPFEDSA-N	436.512	2.237	70	20	IEID	
CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346641676	KGCJWWJEMCWLQQ-UHFFFAOYSA-N	446.526	2.388	70	20	IEID	
CN1CCCN(C(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CC1	216841529	GYVNJSHZEZAUNV-VWLOTQADSA-N	432.524	2.330	70	20	IEID	
NS(=O)(=O)c1ccc(CCNC(=O)NCCc2cccc(Br)c2)cc1	217494491	UGYNZQNGJATJPJ-UHFFFAOYSA-N	426.336	2.181	70	20	IEID	
C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	218766932	CSQMVEIQQBVIJG-MRXNPFEDSA-N	448.552	2.449	70	20	IEID	
COc1ccc(CN2CCN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1F	216708880	RZRNVLSOXHPFIT-QFIPXVFZSA-N	428.552	2.371	70	20	IEID	
O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	217681631	NWDODGGAKQLTBX-IBGZPJMESA-N	429.904	2.013	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	865205142	AAQNZLFUZIJTPJ-UHFFFAOYSA-N	444.481	2.021	70	20	IEID	
O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1NC(=O)c1cccs1	216629665	NZBONKJKIQUELL-UHFFFAOYSA-N	449.286	2.252	70	20	IEID	
NC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O	217160341	HYZSIAIMLJNBNR-QGZVFWFLSA-N	430.302	2.316	70	20	IEID	
O=C(NCCOc1ccc(I)cc1)c1cc(S(=O)(=O)F)c[nH]1	1121095887	XHUJVHBOHPPKSS-UHFFFAOYSA-N	438.218	2.086	70	20	IEID	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nnn1-c1cccc2c1CCN(C)C2	776367990	LUHHBBRHKUBXPH-UHFFFAOYSA-N	429.477	2.474	70	20	IEID	
CN1CCN(S(=O)(=O)c2ccc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)nc2)CC1	217229207	OSNQZGAVNXLTFJ-UHFFFAOYSA-N	446.417	2.339	70	20	IEID	
O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771830732	BKBREJZUCDOALA-CYBMUJFWSA-N	442.490	2.054	70	20	IEID	
COc1ccc(NC(=O)Cn2cc(NC(=O)c3cccc(S(=O)(=O)F)c3)cn2)cc1	1338391238	XNTBGBSODCQECJ-UHFFFAOYSA-N	432.433	2.441	70	20	IEID	
CCCCN1C(=O)CC[C@H](C(=O)NCCN2CCN(C)CC2)[C@H]1c1ccccc1OC	218572071	UEEGDKNDAFSUBZ-NZQKXSOJSA-N	430.593	2.139	70	20	IEID	
Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1NC(=O)CCN(C)C	771840994	QQSOVDVPTOMYFE-UHFFFAOYSA-N	443.522	2.344	70	20	IEID	
O=C1NCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1c1ccccc1Br	1336953717	IWHZQZSIGAKTDU-OAHLLOKOSA-N	441.278	2.421	70	20	IEID	
Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347340883	VHZYGNBKHZRIAO-LLVKDONJSA-N	433.299	2.325	70	20	IEID	
Cc1noc(C)c1COc1ccc(CC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1	217624398	JQMHYLKFDXPSJT-QGZVFWFLSA-N	440.544	2.224	70	20	IEID	
NS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(Br)cc2)cc1	217553710	DMLSXXSPIBSOKD-UHFFFAOYSA-N	426.336	2.181	70	20	IEID	
COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)c1C	1262732692	QZQDJNJKXFNWPY-UHFFFAOYSA-N	438.525	2.430	70	20	IEID	
NC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1N1CCCCC1	848947993	VXDRTFJNYGSLBD-UHFFFAOYSA-N	441.506	2.235	70	20	IEID	
Cc1ccc(NC(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(Br)c1	216662421	LYSWZIWJFHNOIO-CABCVRRESA-N	445.379	2.364	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)[C@@H]1CCS(=O)(=O)C1	217164513	SDAGUWSZNUCUKB-QGZVFWFLSA-N	435.594	2.292	70	20	IEID	
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)c1	768890727	MZNWGQGZCVHQSS-UHFFFAOYSA-N	440.396	2.438	70	20	IEID	
CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1346320919	RXHMKOIEULVQFZ-UHFFFAOYSA-N	433.502	2.209	70	20	IEID	
O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cc(S(=O)(=O)F)c[nH]1	1520865687	NHXSGRJPTMLDBB-UHFFFAOYSA-N	437.474	2.404	70	20	IEID	
COc1nc(Br)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945548	QSEQOBPSIJHEHD-UHFFFAOYSA-N	425.257	2.312	70	20	IEID	
COc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)ccc1S(=O)(=O)N1CCCC1	1338260877	PMIXTXOAAYGRCH-UHFFFAOYSA-N	442.490	2.390	70	20	IEID	
C[C@@H](NC(=O)c1[nH]nc2ccccc12)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1	216777231	ZWWQGQLBBUZPNB-OAHLLOKOSA-N	437.475	2.195	70	20	IEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	769661061	VWGBEMHHXSTZTH-CQSZACIVSA-N	432.429	2.372	70	20	IEID	
CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)s1	865207861	XYGAVAORLBVPCG-UHFFFAOYSA-N	448.563	2.409	70	20	IEID	
NC(=O)CC[C@H]1CCCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1	216662861	UONFUHNLLAXYGB-CQSZACIVSA-N	428.364	2.015	70	20	IEID	
C[C@@H](CS(C)(=O)=O)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1	217184858	TUGKAVKRULKMPO-ZDUSSCGKSA-N	433.368	2.230	70	20	IEID	
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CN(Cc2ccccc2)CCO1	217240468	YEJIGHWHERMEGE-DHIUTWEWSA-N	427.520	2.216	70	20	IEID	
CCN(CC)CCN(C(=O)c1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1	218401076	QPOJMEVZZWUVKY-CQSZACIVSA-N	433.368	2.126	70	20	IEID	
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccc(S(=O)(=O)F)cc1	865206993	DYFITAMVUZZVSG-UHFFFAOYSA-N	430.255	2.213	70	20	IEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21	865208704	TYMNWWDOMKZOLC-UHFFFAOYSA-N	438.502	2.332	70	20	IEID	
O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)F)c1	1338401175	UDYJPPNLZNJPDS-CYBMUJFWSA-N	427.479	2.031	70	20	IEID	
CCn1c(CN2CCN(Cc3ccncc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	216673482	FCBXWAIUYBWBHX-UHFFFAOYSA-N	442.589	2.019	70	20	IEID	
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN[C@H](CN2CCOCC2)c2ccccc2)n1	216772184	ZYZZXILHAFJXGG-OAQYLSRUSA-N	449.559	2.189	70	20	IEID	
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(S(=O)(=O)F)cc1	776364869	ZDWYSEFFJFSBKC-UHFFFAOYSA-N	441.234	2.342	70	20	IEID	
O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)n[nH]2)c1	771841206	UKSQTVOFJVECHV-UHFFFAOYSA-N	426.407	2.444	70	20	IEID	
O=C(CN1CCN(Cc2ccncc2)CC1)Nc1ccccc1I	216676740	LQQSUIHBIDWESJ-UHFFFAOYSA-N	436.297	2.443	70	20	IEID	
CN(C)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ncc1Br	848948771	HGUAAQAPUDMSDU-UHFFFAOYSA-N	438.300	2.369	70	20	IEID	
COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]2CCS(=O)(=O)C2)cc1	1337667441	RPNQUSXXGRKVAM-INIZCTEOSA-N	441.502	2.183	70	20	IEID	
O=C(c1ccc(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1)N1CCCC1	217631278	LIFAQBXCUYDCHI-UHFFFAOYSA-N	437.569	2.310	70	20	IEID	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@H](C)O)cc1	216798575	VJZMCGHWJJNERJ-SUMWQHHRSA-N	430.448	2.358	70	20	IEID	
CCOc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)C(C)C	217088648	ULDATTRJQUJYJT-QFIPXVFZSA-N	441.576	2.308	70	20	IEID	
CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865206327	ADPGPLUXFFKKGV-UHFFFAOYSA-N	428.507	2.103	70	20	IEID	
O=C1NCCCN1c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1F	848945263	KVWURKLOLJXLOX-UHFFFAOYSA-N	431.442	2.204	70	20	IEID	
Cc1c(NC(=O)[C@@H](C)N2CCN(Cc3ccncc3)CC2)c(=O)n(-c2ccccc2)n1C	216670424	HPOUTEUBVNLKPL-LJQANCHMSA-N	434.544	2.024	70	20	IEID	
COc1cc(N2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)CC2)cc(OC)c1OC	1348706319	ACBJNDBTJCIHJX-UHFFFAOYSA-N	438.477	2.333	70	20	IEID	
CC(C)C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1nc2ccccc2[nH]1	217032583	KAGPJLPBDJCZTB-CQSZACIVSA-N	434.294	2.079	70	20	IEID	
O=C(CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F	216656198	AULNQLNBYUVERD-KGLIPLIRSA-N	449.342	2.195	70	20	IEID	
Cc1ccc(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)cc1S(=O)(=O)N(C)C	216739417	NAWNYOXDFIRJKX-HXUWFJFHSA-N	430.574	2.173	70	20	IEID	
Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	771831161	KRSYJALTOHFZLS-UHFFFAOYSA-N	428.492	2.425	70	20	IEID	
COc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	865206377	CLNJKMWZAXBBIW-UHFFFAOYSA-N	434.489	2.271	70	20	IEID	
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(CCN2CCCC2)CC1	218092260	SPPSGSRYPZLJSD-OAQYLSRUSA-N	433.572	2.034	70	20	IEID	
CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)F)c3)ccc2O1	768886562	KOVCJIVIAVFJNC-MRXNPFEDSA-N	429.447	2.012	70	20	IEID