smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	217956170	OIGLGQBEKJSIBB-VGOFMYFVSA-N	409.917	5.359	70	40	HKIB	
O=C1CS[C@@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccccc1	216674878	RPUGLELCBSGNCF-FQEVSTJZSA-N	413.340	5.014	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218668129	PFLDCRVPVQMTAN-KKSFZXQISA-N	411.542	5.179	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)cc1	218212341	IHNKLXBPGCLIML-UHFFFAOYSA-N	404.579	5.544	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)cc1	218208631	RVPZMEQSJJWPFN-UHFFFAOYSA-N	417.574	6.861	70	40	HKIB	
O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2	217479851	VBEKPNJXBDYVGD-KZBLUPIWSA-N	405.819	5.440	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1	218044362	LTZLODVYCJGCGI-GOSISDBHSA-N	405.947	5.000	70	40	HKIB	
COc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1	218007551	RKOADMDDNFMPSV-UHFFFAOYSA-N	405.517	5.486	70	40	HKIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2	218000616	NMFUVJKLCPNFQY-HSZRJFAPSA-N	417.574	6.320	70	40	HKIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(C(C)(C)C)cc1	218543894	WMWODJXJMLCWSD-UHFFFAOYSA-N	411.933	5.279	70	40	HKIB	
O=C1CS[C@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccccc1	216674917	RPUGLELCBSGNCF-HXUWFJFHSA-N	413.340	5.014	70	40	HKIB	
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2ccsc2n1	218564993	BZUBBYWPXRSXMZ-UHFFFAOYSA-N	401.413	5.263	70	40	HKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218713968	PRVRPRFTVOSRRL-APWZRJJASA-N	401.934	5.451	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1	218715128	YFLNJHCVEIIFPE-KXBFYZLASA-N	417.933	5.151	70	40	HKIB	
CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OCc3ccccc3)cc12	217767354	WOZSXPQLQWABDI-UHFFFAOYSA-N	413.517	5.948	70	40	HKIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216744629	JTVBRWVUWTZMFO-NRFANRHFSA-N	402.416	5.036	70	40	HKIB	
CCSc1ccccc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1	217829395	QUKFCOMSKSEZPA-SFHVURJKSA-N	421.566	5.252	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(C(C)C)cc3)cc2)cc1	218212240	WFNRECIDHNEIEN-UHFFFAOYSA-N	417.618	6.773	70	40	HKIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	218664324	QWSGXAYGMDKFSY-SFHVURJKSA-N	401.506	5.621	70	40	HKIB	
O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl	217957027	ILUZOKNIISIKHZ-FPYGCLRLSA-N	400.758	5.710	70	40	HKIB	
Cc1cccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)c1	218002433	IFKDABCTRSWHMQ-UHFFFAOYSA-N	415.518	5.267	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1SCc1ccccc1	218607780	ALUBFJONECMMSZ-JOCHJYFZSA-N	417.574	6.320	70	40	HKIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	217995934	BHIBRIRVLDIYMS-GFCCVEGCSA-N	422.337	5.183	70	40	HKIB	
CC(=O)c1ccc2c(CBr)c3ccccc3c(CBr)c2c1	114951891	FADLMGMYEZTIIY-UHFFFAOYSA-N	406.117	5.985	70	40	HKIB	
O=C1CS[C@H](c2ccn(-c3ccccc3C(F)(F)F)c2)N1Cc1ccccc1	216674592	ZICCMGPZAVXGBP-HXUWFJFHSA-N	402.441	5.270	70	40	HKIB	
O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1Br	218220109	FVUXRAUXUQZVIT-UHFFFAOYSA-N	419.171	5.419	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSCc1cccc(Cl)c1)CC(C)(C)O2	218037746	GSYLNNQNCGOCLY-SFHVURJKSA-N	405.947	5.000	70	40	HKIB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218556314	KTJWDBJWKITUKL-UHFFFAOYSA-N	411.914	5.512	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(F)cccc1Cl	218203765	FGJKMVJAYDBVRF-GOSISDBHSA-N	407.938	5.439	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1	218714368	KLNJHXVTTPYSAZ-VQIMIIECSA-N	401.934	5.451	70	40	HKIB	
O=C1CS[C@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccccc1	216673946	PAFHKRJXUPHVHH-HXUWFJFHSA-N	402.441	5.270	70	40	HKIB	
C[C@H]1[C@@H]2[C@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13	217365274	UONFBIWUOHBYQS-VOYQDMSPSA-N	407.510	5.436	70	40	HKIB	
COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1	218605459	GQPQXCLQTAQLMQ-GOSISDBHSA-N	407.535	5.185	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(F)cccc1Cl	218204157	RHTHAJKLIXEYFU-GOSISDBHSA-N	423.937	5.140	70	40	HKIB	
CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)cc1C	218198381	PVMJOJMIPVLQHK-IBGZPJMESA-N	406.389	5.567	70	40	HKIB	
COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1	217416623	FJVCCAQRUJPDHM-UHFFFAOYSA-N	420.921	6.391	70	40	HKIB	
CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)c(C)c1	218198125	ARCSKMIMBNYJON-LJQANCHMSA-N	406.389	5.567	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)CC(C)(C)O2	217907694	XOJMQDGFUQPJGU-YXOJNZSOSA-N	406.309	5.434	70	40	HKIB	
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	218004747	HKQDRTBZKWSXBJ-SFHVURJKSA-N	409.982	6.740	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)cc1	218207316	RLNWZIKYOIBBMZ-UHFFFAOYSA-N	409.982	6.303	70	40	HKIB	
O=C(Nc1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217802130	SBUCEJPZLRAUCE-AWEZNQCLSA-N	414.868	5.016	70	40	HKIB	
COc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OC(C)C	217997358	ZMGFWTAWJKHDIH-UHFFFAOYSA-N	421.562	5.705	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)CC(C)(C)O2	217907773	XOJMQDGFUQPJGU-QKYXPGDISA-N	406.309	5.434	70	40	HKIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714191	PRVRPRFTVOSRRL-QFBILLFUSA-N	401.934	5.451	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CSc2ccccc2)cc1	218000830	SXICHMSUSYYJCL-HSZRJFAPSA-N	417.574	6.320	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccc(Cl)cc1	217991979	BUUQTQUBWSVPSS-UGSOOPFHSA-N	405.947	5.248	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1ccco1)c1ccccc1	218105540	ULRHXKDNLJSEEU-QJUACMODSA-N	403.478	5.247	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2c(ccc3ccccc32)o1	218499686	PFCCAALIJDCIOV-HXUWFJFHSA-N	401.462	5.627	70	40	HKIB	
C[C@H]1[C@H]2[C@@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@]2(C)Oc1ccccc13	217349358	HTEHTVFZNJDZHV-GDUZKNOUSA-N	413.558	5.246	70	40	HKIB	
CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1	218716062	PYJZGFHGFWTTDZ-MAUKXSAKSA-N	405.922	5.009	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(Cl)cc1Cl	217907932	UBAMSDQUDSVZID-QKYXPGDISA-N	406.309	5.434	70	40	HKIB	
COc1cc(CNC(=O)c2ccccc2SCc2ccccc2)ccc1OC(C)C	218604492	CXCBJINUDPJCIO-UHFFFAOYSA-N	421.562	5.705	70	40	HKIB	
CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1	217949613	JMLISMCFLVICGJ-YRNVUSSQSA-N	422.421	6.354	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccc(Cl)cc1	218089448	XSYXJAVCTUQZOO-SFHVURJKSA-N	405.947	5.249	70	40	HKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)c(C)c1	218006894	JYJUZBZDWVOQLD-XMMPIXPASA-N	424.009	7.130	70	40	HKIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714039	PRVRPRFTVOSRRL-VQIMIIECSA-N	401.934	5.451	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)cc1	218211145	YCEOLVKSWRHDPW-UHFFFAOYSA-N	415.518	5.267	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217991704	ZDTNKSDXTOMVCR-SCLBCKFNSA-N	405.947	5.248	70	40	HKIB	
CC(=O)C(/N=N/c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	104633233	GUWIXNZTUHHLSK-ZQHSETAFSA-N	422.468	5.483	70	40	HKIB	
CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)c(C)c1	218198204	ARCSKMIMBNYJON-IBGZPJMESA-N	406.389	5.567	70	40	HKIB	
CCc1nc([C@@H](C)NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cs1	217124376	UAOQTSMYRSOFJL-IGDFAFLASA-N	411.409	5.007	70	40	HKIB	
C[C@H]1[C@H]2[C@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13	217365357	UONFBIWUOHBYQS-HXJYOHLDSA-N	407.510	5.436	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)CCSc1ccc(Cl)cc1)CC(C)(C)O2	218089349	FNDJLRKFQHRSFZ-GOSISDBHSA-N	405.947	5.249	70	40	HKIB	
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218209505	WPNNXCWNCVHNNM-HXUWFJFHSA-N	405.563	5.793	70	40	HKIB	
O=C(c1ccc(Cl)s1)N1CCS[C@@H]1c1ccc(F)c(Br)c1	217646462	CHAVTFFUYCTJOP-CQSZACIVSA-N	406.729	5.191	70	40	HKIB	
CC1(C)C[C@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2O1	218196718	ZTTLITOUGTVWLI-KRWDZBQOSA-N	420.372	5.101	70	40	HKIB	
CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1	218199594	WGIVEGAJLGQFBS-UHFFFAOYSA-N	420.416	5.555	70	40	HKIB	
O=C(CSCc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1	218195349	MVSQZSKIKNEKFG-UHFFFAOYSA-N	412.780	5.085	70	40	HKIB	
O=C(c1ccccc1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1	218605730	KUHTXDABQBDXDU-UHFFFAOYSA-N	423.537	6.462	70	40	HKIB	
COc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1OC	218606710	LKOMJLRAYFYVAU-UHFFFAOYSA-N	421.562	5.359	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1)CC(C)(C)O2	218044183	WICRNONOJIAQFZ-GOSISDBHSA-N	405.947	5.000	70	40	HKIB	
CCOc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1OCC	218604369	BHESFRCYWNNUBG-UHFFFAOYSA-N	421.562	5.706	70	40	HKIB	
CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1	217949178	RJGDBKMYWSXHAD-QGOAFFKASA-N	401.575	6.928	70	40	HKIB	
CCc1nc([C@H](C)NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cs1	217124389	UAOQTSMYRSOFJL-LUIVIUGWSA-N	411.409	5.007	70	40	HKIB	
CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(OC)c1	218608886	JFYFCGBEMWDCNT-NRFANRHFSA-N	421.562	5.877	70	40	HKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(OC)c1	218002006	FCBOOXMTDPHYLF-QFIPXVFZSA-N	421.562	5.877	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	100354550	IXYAYEKAUAGUBI-ZPUQHVIOSA-N	402.230	5.286	70	40	HKIB	
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1	216926680	HTWVQHAAIKZQQA-YCRREMRBSA-N	405.325	5.118	70	40	HKIB	
O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CSc2ccccc2)cc1	217999057	PXJFKZLAGKDXAV-UHFFFAOYSA-N	403.547	6.553	70	40	HKIB	
COc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)ccc2ccccc12	217461761	QNISKYPXHBUYPA-UHFFFAOYSA-N	410.498	6.377	70	40	HKIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1	217832311	PTOCWQKXKTTWNN-QGZVFWFLSA-N	417.534	5.355	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)CC(C)(C)O2	218105258	TVRAQSPHWGYADT-QDUHJBTASA-N	403.478	5.247	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2	218203886	WPOMDPVIJRCTKF-SFHVURJKSA-N	423.937	5.140	70	40	HKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2	218607510	AYKXCRZNCNMSGG-QFIPXVFZSA-N	417.574	6.320	70	40	HKIB	
O=C1CS[C@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccccc1	216673842	PBHCYCNGAOVLHS-HXUWFJFHSA-N	413.340	5.014	70	40	HKIB	
O=C1CS[C@@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccccc1	216673801	PBHCYCNGAOVLHS-FQEVSTJZSA-N	413.340	5.014	70	40	HKIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SCc1ccccc1	218609714	NVIIDAKEQJIZAQ-UHFFFAOYSA-N	421.547	5.363	70	40	HKIB	
C[C@H]1[C@H]2[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@]2(C)Oc1ccccc13	217349285	HTEHTVFZNJDZHV-HXJYOHLDSA-N	413.558	5.246	70	40	HKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1C	218007136	JGJNXWSJXJMFHD-DEOSSOPVSA-N	424.009	7.130	70	40	HKIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1	217832226	PTOCWQKXKTTWNN-KRWDZBQOSA-N	417.534	5.355	70	40	HKIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1	218715938	PYJZGFHGFWTTDZ-CRAIPNDOSA-N	405.922	5.009	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(Cl)cccc1Cl	218155630	LZYFAJSVCDTYFO-GOSISDBHSA-N	424.393	5.954	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1Cl	218031008	MTZNPGNNIQEDEE-SFHVURJKSA-N	405.947	5.000	70	40	HKIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1	218712243	PITQIIIFXWHPPG-GOSISDBHSA-N	403.950	5.262	70	40	HKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(OC)c1	218001922	FCBOOXMTDPHYLF-JOCHJYFZSA-N	421.562	5.877	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)c1cc3c(ccc4ccccc43)o1)CC(C)(C)O2	218499493	SBOMWJWYXUYFBI-HXUWFJFHSA-N	401.462	5.627	70	40	HKIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216744524	YIEPTFSGVMBAGJ-NRFANRHFSA-N	402.416	5.036	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1	218044290	LTZLODVYCJGCGI-SFHVURJKSA-N	405.947	5.000	70	40	HKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)cc1C	218210799	KCLBXJWKKKLHFF-RUZDIDTESA-N	403.591	6.785	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)cc1	218208887	RCOJZCJDVYVIBC-QHCPKHFHSA-N	417.574	6.320	70	40	HKIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCSc1ccc(Cl)cc1	218091829	MKMKJZVOXUCPLM-UHFFFAOYSA-N	422.337	5.184	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218668317	GTBYTCOPGYLMTP-IERDGZPVSA-N	411.542	5.179	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714748	HYULVOXXGXVKKV-KXBFYZLASA-N	417.933	5.151	70	40	HKIB	
CC(C)[Si]1(C(C)C)N([Si](C)(C)F)[Si](C(C)C)(C(C)C)N1[Si](C)(C)F	195753961	KUMCQNWDPMAAIL-UHFFFAOYSA-N	410.850	6.471	70	40	HKIB	
CCCOc1ccccc1CCCNC(=O)c1ccccc1SCc1ccccc1	218606596	YAAFJCQMSBECOT-UHFFFAOYSA-N	419.590	6.130	70	40	HKIB	
Cc1ccc(Nc2cc(C)c3cc(S(=O)(=O)Cc4ccccc4)ccc3n2)cc1	217430854	YDTQBXYEDGGPSD-UHFFFAOYSA-N	402.519	5.569	70	40	HKIB	
COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br	218015613	KRKSXEITRQEEBJ-UHFFFAOYSA-N	405.517	5.486	70	40	HKIB	
O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	216862823	SPCICTHEOYXVTJ-AATRIKPKSA-N	403.059	5.582	70	40	HKIB	
Cc1cc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc(C)c1Cl	218710921	YUXQGSABINRQRC-GOSISDBHSA-N	403.950	5.260	70	40	HKIB	
O=C(NCCCc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	218005066	LOUVWXCRSBTFGX-UHFFFAOYSA-N	413.945	6.134	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218667984	PFLDCRVPVQMTAN-IERDGZPVSA-N	411.542	5.179	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217991895	BUUQTQUBWSVPSS-FZKQIMNGSA-N	405.947	5.248	70	40	HKIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216743814	BDYNAPKYBMDZHL-OAQYLSRUSA-N	402.416	5.036	70	40	HKIB	
CC1(C)C[C@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1	218606361	IKGAGWRXPHLYIW-NRFANRHFSA-N	403.547	6.011	70	40	HKIB	
C(C12CC3CC(CC(C3)C1)C2)=P(c1ccccc1)(c1ccccc1)c1ccccc1	101170719	FEIYRYQJOKTHGT-UHFFFAOYSA-N	410.541	5.999	70	40	HKIB	
O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CSc2ccccc2)cc1	217998610	JSTFXAONSFSKAQ-UHFFFAOYSA-N	423.537	6.462	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)COc3ccccc3C)cc2)cc1	218209317	SBBZCTPURYAFIJ-FQEVSTJZSA-N	405.563	5.793	70	40	HKIB	
O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1Br	218220548	BSXLRPLKAKJHHE-UHFFFAOYSA-N	419.171	5.419	70	40	HKIB	
O=C1CS[C@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccccc1	216674051	NWZLPIHDTRQGGP-HXUWFJFHSA-N	413.340	5.014	70	40	HKIB	
CC1(C)C[C@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1	218154618	GNXKYNYIUZCSMG-KRWDZBQOSA-N	410.366	5.645	70	40	HKIB	
O=C(CSCc1c(Cl)cccc1Cl)NCCCN1CCCc2ccccc21	218158099	HNOXGDQZWGBVRZ-UHFFFAOYSA-N	423.409	5.186	70	40	HKIB	
O=C(NCc1nc(-c2cccs2)no1)c1ccccc1SCc1ccccc1	218609396	VQEAZWYQNVCEEP-UHFFFAOYSA-N	407.520	5.020	70	40	HKIB	
CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1	217949389	LCKFAYARUBHSBX-IZZDOVSWSA-N	422.421	6.354	70	40	HKIB	
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc2c(ccc3ccccc32)o1	218495374	JZFGCTXAFTUITK-UHFFFAOYSA-N	421.456	5.163	70	40	HKIB	
CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2	217914807	NEMDWVAFHRGICR-BCVIDUSVSA-N	414.933	5.169	70	40	HKIB	
CCOc1ccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218209010	OFTBNHOUTBFSCN-UHFFFAOYSA-N	419.590	6.049	70	40	HKIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCSc1ccc(Cl)cc1	218091928	JAMIVTQKTQARDF-UHFFFAOYSA-N	422.337	5.184	70	40	HKIB	
COc1ccc(OC[C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1	218605521	GQPQXCLQTAQLMQ-SFHVURJKSA-N	407.535	5.185	70	40	HKIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216744471	YIEPTFSGVMBAGJ-OAQYLSRUSA-N	402.416	5.036	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C\C=C/c2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	100357099	AGJNBXQYIMASIF-CCAGOZQPSA-N	402.230	5.286	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1Cl)CC(C)(C)O2	218030824	RWJWDGVURHEEFR-SFHVURJKSA-N	405.947	5.000	70	40	HKIB	
O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1SCc1ccccc1	218606177	DKVOLGDCZYSVMO-UHFFFAOYSA-N	403.547	6.553	70	40	HKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)c(C)c1	218210683	AIDOSNCQVHCAGK-VWLOTQADSA-N	403.591	6.785	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218668205	PFLDCRVPVQMTAN-HRAATJIYSA-N	411.542	5.179	70	40	HKIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C(=C/c1ccco1)c1ccccc1	218108235	CXMJHFYNERZQPI-XMHGGMMESA-N	419.868	5.182	70	40	HKIB	
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	218004664	HKQDRTBZKWSXBJ-GOSISDBHSA-N	409.982	6.740	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CSc2ccccc2)cc1	218000738	SXICHMSUSYYJCL-QHCPKHFHSA-N	417.574	6.320	70	40	HKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)c(C)c1	218006970	JYJUZBZDWVOQLD-DEOSSOPVSA-N	424.009	7.130	70	40	HKIB	
O=C1CS[C@@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccccc1	216674658	IZVQFPHMUABOKM-FQEVSTJZSA-N	402.441	5.270	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C\C=C\c2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	100357107	AGJNBXQYIMASIF-HSFFGMMNSA-N	402.230	5.286	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218668387	GTBYTCOPGYLMTP-IIBYNOLFSA-N	411.542	5.179	70	40	HKIB	
CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1	218716130	PYJZGFHGFWTTDZ-YJBOKZPZSA-N	405.922	5.009	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	100357110	AGJNBXQYIMASIF-ZPUQHVIOSA-N	402.230	5.286	70	40	HKIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	217956042	KEPQXLFKXAYEJY-SDNWHVSQSA-N	409.917	5.359	70	40	HKIB	
Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc(C)c1Cl	218711027	RDJAVJQJOVPJPC-SFHVURJKSA-N	403.950	5.260	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217991557	ZDTNKSDXTOMVCR-FZKQIMNGSA-N	405.947	5.248	70	40	HKIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	217996013	BHIBRIRVLDIYMS-LBPRGKRZSA-N	422.337	5.183	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217991484	ZDTNKSDXTOMVCR-ACJLOTCBSA-N	405.947	5.248	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)cc1	218208809	RCOJZCJDVYVIBC-HSZRJFAPSA-N	417.574	6.320	70	40	HKIB	
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216744581	JTVBRWVUWTZMFO-OAQYLSRUSA-N	402.416	5.036	70	40	HKIB	
O=C(CSCc1ccc(Br)cc1)NCCCc1ccccc1Cl	218195251	YYKCSQHJMFJYQZ-UHFFFAOYSA-N	412.780	5.085	70	40	HKIB	
COc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217998371	KEXSKVWDTPOMIH-SFHVURJKSA-N	407.535	5.185	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1	218715029	YFLNJHCVEIIFPE-DNVCBOLYSA-N	417.933	5.151	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1SCc1ccccc1	218607705	ALUBFJONECMMSZ-QFIPXVFZSA-N	417.574	6.320	70	40	HKIB	
Cc1nc(-c2ccccc2NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cs1	218667153	QIOZNWYWTCPMHJ-UHFFFAOYSA-N	412.458	5.079	70	40	HKIB	
Cl[Si](Cl)(Cl)CCCCCCCCCCCI	198065995	DNPKOBQFEBHOLK-UHFFFAOYSA-N	415.646	6.588	70	40	HKIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1	218108358	KUQXEYSCCLDMJP-XSFVSMFZSA-N	419.868	5.182	70	40	HKIB	
CN(CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1	218007486	BZVBHFPHSZWGBS-UHFFFAOYSA-N	424.997	5.889	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2c(ccc3ccccc32)o1	218499599	PFCCAALIJDCIOV-FQEVSTJZSA-N	401.462	5.627	70	40	HKIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	217995834	NQNNWKXBZBAEKW-LBPRGKRZSA-N	422.337	5.183	70	40	HKIB	
O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1	217957129	VAGQRMMAXNWGET-XBXARRHUSA-N	400.758	5.710	70	40	HKIB	
CCCOc1ccccc1CCCNC(=O)CSCc1c(F)cccc1Cl	218202531	LOYRDQYREGMYRK-UHFFFAOYSA-N	409.954	5.250	70	40	HKIB	
CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218286323	LDGXUCIUVWACQA-KRWDZBQOSA-N	406.567	6.440	70	40	HKIB	
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	217028785	WAUMQBCQUXXAQK-OAQYLSRUSA-N	418.990	5.322	70	40	HKIB	
O=S(=O)(Cl)c1cccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	100415229	WQQHVYQXYSOYAS-UHFFFAOYSA-N	404.715	5.444	70	40	HKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714115	PRVRPRFTVOSRRL-LPHOPBHVSA-N	401.934	5.451	70	40	HKIB	
CC(C)Oc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1	218201828	LJJZWUNNSFOHGP-UHFFFAOYSA-N	409.954	5.249	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C/C=C\c2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	100357104	AGJNBXQYIMASIF-TZFCGSKZSA-N	402.230	5.286	70	40	HKIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2c(ccc3ccccc32)o1	218502582	CKFPTTDGWPNHJX-UHFFFAOYSA-N	403.463	5.360	70	40	HKIB	
Cl[Si](Cl)(Cl)CCCCCCCCCC[Si](Cl)(Cl)Cl	196575415	MBVBUOCFAAEWDT-UHFFFAOYSA-N	409.160	7.418	70	40	HKIB	
COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216743859	BDYNAPKYBMDZHL-NRFANRHFSA-N	402.416	5.036	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217991812	BUUQTQUBWSVPSS-ACJLOTCBSA-N	405.947	5.248	70	40	HKIB	
CC(C)c1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1	218157910	WVSSEPDRMVDVGM-UHFFFAOYSA-N	410.410	6.099	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@H](C)COc3ccccc3C)cc2)cc1	218209400	SBBZCTPURYAFIJ-HXUWFJFHSA-N	405.563	5.793	70	40	HKIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CSc2ccccc2)cc1	218003659	BYBKPTHHVXHWFW-UHFFFAOYSA-N	421.547	5.363	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217991633	ZDTNKSDXTOMVCR-UGSOOPFHSA-N	405.947	5.248	70	40	HKIB	
CC(C)Oc1cccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)c1	217998719	CHRKGSUYEGCSDR-UHFFFAOYSA-N	419.590	6.129	70	40	HKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2	218203461	TZHYEDFPYMOYEF-SFHVURJKSA-N	407.938	5.439	70	40	HKIB	
CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	217028822	WAUMQBCQUXXAQK-NRFANRHFSA-N	418.990	5.322	70	40	HKIB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc2c(ccc3ccccc32)o1	218501351	GZXLXMYJZWHCMA-UHFFFAOYSA-N	403.825	5.219	70	40	HKIB	
O=C(NCCCN1CCCc2ccccc21)c1ccccc1SCc1ccccc1	218610181	VKKWFJUVIGGBPX-UHFFFAOYSA-N	416.590	5.552	70	40	HKIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1	218712325	PITQIIIFXWHPPG-SFHVURJKSA-N	403.950	5.262	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1	218714442	KLNJHXVTTPYSAZ-LPHOPBHVSA-N	401.934	5.451	70	40	HKIB	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CCSc3ccccc3)C2)n1	217830285	YUWYEJKITAMMRK-LJQANCHMSA-N	421.566	5.009	70	40	HKIB	
Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	218005684	COZAEJNNYOCCTC-UHFFFAOYSA-N	411.954	5.750	70	40	HKIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2	218607592	AYKXCRZNCNMSGG-JOCHJYFZSA-N	417.574	6.320	70	40	HKIB	
O=C1CS[C@@H](c2ccn(-c3ccccc3C(F)(F)F)c2)N1Cc1ccccc1	216674550	ZICCMGPZAVXGBP-FQEVSTJZSA-N	402.441	5.270	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)cc1	218207403	CTOVCOGSVPZXHT-UHFFFAOYSA-N	409.982	6.303	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1cccc(Cl)c1	218037898	INVHOWSSVWJPED-SFHVURJKSA-N	405.947	5.000	70	40	HKIB	
Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1	217909335	NGUPPRIWRUDHOV-VQHVLOKHSA-N	402.281	5.024	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1cccc(Cl)c1	218037982	INVHOWSSVWJPED-GOSISDBHSA-N	405.947	5.000	70	40	HKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2	218155452	REFBRNXJNSKRLS-GOSISDBHSA-N	424.393	5.954	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)c1ccccc1	218105460	ULRHXKDNLJSEEU-AMUNLKFJSA-N	403.478	5.247	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(Cl)cccc1Cl	218155558	LZYFAJSVCDTYFO-SFHVURJKSA-N	424.393	5.954	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)cc1	218211701	AATXJWLKNBTOGZ-UHFFFAOYSA-N	421.547	5.329	70	40	HKIB	
Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C)c1Cl	218710744	QMEICJHDIJJYME-QGZVFWFLSA-N	407.897	5.594	70	40	HKIB	
O=C(NCCSC1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1	217703376	CRUYDFOGDCDSMF-UHFFFAOYSA-N	410.366	5.302	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1	218715195	YFLNJHCVEIIFPE-HNAYVOBHSA-N	417.933	5.151	70	40	HKIB	
Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc(C)c1Cl	218711108	RDJAVJQJOVPJPC-GOSISDBHSA-N	403.950	5.260	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1Cl)CC(C)(C)O2	218030908	RWJWDGVURHEEFR-GOSISDBHSA-N	405.947	5.000	70	40	HKIB	
O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)c1ccccc1	218201628	OLQCJCVCBTVJJC-UHFFFAOYSA-N	413.901	5.582	70	40	HKIB	
COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218207892	SKAROJOYIQKQSI-LJQANCHMSA-N	421.562	5.493	70	40	HKIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(C(C)(C)C)cc1	218543771	ISRBKTRVNIPWAK-UHFFFAOYSA-N	411.933	5.279	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714675	HYULVOXXGXVKKV-DNVCBOLYSA-N	417.933	5.151	70	40	HKIB	
CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)cc1C	218198313	PVMJOJMIPVLQHK-LJQANCHMSA-N	406.389	5.567	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)CC(C)(C)O2	218044111	WICRNONOJIAQFZ-SFHVURJKSA-N	405.947	5.000	70	40	HKIB	
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Cl)cc2Cl)c(Cl)c1	95682143	YNPAAILIMIGQIH-UHFFFAOYSA-N	417.053	5.275	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1	218714524	KLNJHXVTTPYSAZ-QFBILLFUSA-N	401.934	5.451	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218668051	PFLDCRVPVQMTAN-IIBYNOLFSA-N	411.542	5.179	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C\C=C\c2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	100354547	IXYAYEKAUAGUBI-HSFFGMMNSA-N	402.230	5.286	70	40	HKIB	
CC1(C)C[C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2O1	217999261	HEHOVEGGVCNFDE-QFIPXVFZSA-N	403.547	6.011	70	40	HKIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	218664262	QWSGXAYGMDKFSY-GOSISDBHSA-N	401.506	5.621	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714840	HYULVOXXGXVKKV-HNAYVOBHSA-N	417.933	5.151	70	40	HKIB	
COc1ccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218207798	KCIRDQYMCNYOJA-UHFFFAOYSA-N	405.563	5.659	70	40	HKIB	
COc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218207982	SKAROJOYIQKQSI-IBGZPJMESA-N	421.562	5.493	70	40	HKIB	
CCOc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OCC	217997247	KKFJQFHHPIWAPF-UHFFFAOYSA-N	421.562	5.706	70	40	HKIB	
CCCCCCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl	195773094	XJNNFXAJDSSMBZ-UHFFFAOYSA-N	423.629	10.358	70	40	HKIB	
CCSc1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1	217829323	QUKFCOMSKSEZPA-GOSISDBHSA-N	421.566	5.252	70	40	HKIB	
Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1	217909442	PCTNNDQYVLXEOV-CSKARUKUSA-N	402.281	5.024	70	40	HKIB	
CN(CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1	218005788	XSGMPSSIUNWZMV-UHFFFAOYSA-N	410.970	5.499	70	40	HKIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cc2c(ccc3ccccc32)o1	218502382	GMUOBGDFKXFITF-UHFFFAOYSA-N	417.852	5.562	70	40	HKIB	
COc1cccc(NC(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)c1OC	217643343	CGSMGNXCBLPLSL-KRWDZBQOSA-N	413.326	5.290	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C\C=C/c2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	100354542	IXYAYEKAUAGUBI-CCAGOZQPSA-N	402.230	5.286	70	40	HKIB	
CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(OC)c1	218608806	JFYFCGBEMWDCNT-OAQYLSRUSA-N	421.562	5.877	70	40	HKIB	
O=C(CSCc1c(Cl)cccc1Cl)NCCCc1ccc(Cl)cc1	218153195	FACHVZPNYJAKBQ-UHFFFAOYSA-N	402.774	5.629	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1	218714955	YFLNJHCVEIIFPE-BEFAXECRSA-N	417.933	5.151	70	40	HKIB	
Cc1cc(SCc2ccccc2)nc2ccc(S(=O)(=O)Cc3ccccc3)cc12	217436152	QKZRSXLZKHJFBY-UHFFFAOYSA-N	419.571	5.809	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218668537	GTBYTCOPGYLMTP-HRAATJIYSA-N	411.542	5.179	70	40	HKIB	
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218209583	WPNNXCWNCVHNNM-FQEVSTJZSA-N	405.563	5.793	70	40	HKIB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl	217909827	ILZFFQKDWQLYQN-WEVVVXLNSA-N	422.699	5.369	70	40	HKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2	218203542	TZHYEDFPYMOYEF-GOSISDBHSA-N	407.938	5.439	70	40	HKIB	
CCCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccccc2)cc1	217999524	GSDSDHULSVNJKX-UHFFFAOYSA-N	419.590	6.130	70	40	HKIB	
O=[N+]([O-])c1ccc(/C=C/C=C\c2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	100354544	IXYAYEKAUAGUBI-TZFCGSKZSA-N	402.230	5.286	70	40	HKIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1	217995756	NQNNWKXBZBAEKW-GFCCVEGCSA-N	422.337	5.183	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(Cl)cc1Cl	217907876	UBAMSDQUDSVZID-YXOJNZSOSA-N	406.309	5.434	70	40	HKIB	
CCOc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1	218154723	OWNXBRUXAULGCK-UHFFFAOYSA-N	412.382	5.374	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1Cl	218031094	MTZNPGNNIQEDEE-GOSISDBHSA-N	405.947	5.000	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccc(Cl)cc1)CC(C)(C)O2	218089274	FNDJLRKFQHRSFZ-SFHVURJKSA-N	405.947	5.249	70	40	HKIB	
CC1(C)C[C@@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1	218606289	IKGAGWRXPHLYIW-OAQYLSRUSA-N	403.547	6.011	70	40	HKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2	218155379	REFBRNXJNSKRLS-SFHVURJKSA-N	424.393	5.954	70	40	HKIB	
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12	216862789	VYNRABKFKAPTQO-MDZDMXLPSA-N	414.255	5.437	70	40	HKIB	
COc1cccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1	218207704	QVBQJZSKJXDYCA-UHFFFAOYSA-N	405.563	5.659	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(F)cccc1Cl	218203674	FGJKMVJAYDBVRF-SFHVURJKSA-N	407.938	5.439	70	40	HKIB	
CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218286389	LDGXUCIUVWACQA-QGZVFWFLSA-N	406.567	6.440	70	40	HKIB	
CCOc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217999386	PNJBWFANCSAECU-UHFFFAOYSA-N	405.563	5.740	70	40	HKIB	
CN1CCC(Oc2ccc(NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)CC1	218503016	UEIGJXQHNLKMSE-UHFFFAOYSA-N	400.478	5.311	70	40	HKIB	
COc1ccc(-c2nc(N)cc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC	217757429	AQAUMTKYNAWPHB-UHFFFAOYSA-N	414.465	5.279	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)CC(C)(C)O2	218105330	TVRAQSPHWGYADT-GFCAVMEOSA-N	403.478	5.247	70	40	HKIB	
Cc1ccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1	218002557	VQDXSIUOOADJRR-UHFFFAOYSA-N	415.518	5.267	70	40	HKIB	
COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217998306	KEXSKVWDTPOMIH-GOSISDBHSA-N	407.535	5.185	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(F)cccc1Cl	218204085	RHTHAJKLIXEYFU-SFHVURJKSA-N	423.937	5.140	70	40	HKIB	
CCCCS(CCCC)(OS(=O)(=O)C(F)(F)F)c1cccc2ccccc12	100043135	BXHHDVMDXKHDQD-UHFFFAOYSA-N	422.534	6.385	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccc(Cl)cc1	217992051	BUUQTQUBWSVPSS-SCLBCKFNSA-N	405.947	5.248	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2	218714617	HYULVOXXGXVKKV-BEFAXECRSA-N	417.933	5.151	70	40	HKIB	
CC1(C)C[C@@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1	218154534	GNXKYNYIUZCSMG-QGZVFWFLSA-N	410.366	5.645	70	40	HKIB	
O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1ccco1)c1ccccc1	218098541	OWEJHIGTBUMNCH-XIEYBQDHSA-N	411.526	6.751	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccc(Cl)cc1	218089530	XSYXJAVCTUQZOO-GOSISDBHSA-N	405.947	5.249	70	40	HKIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(-c2ccccc2)cc1	218167123	BEEFWHULTVRELA-UHFFFAOYSA-N	403.869	5.329	70	40	HKIB	
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	104091670	DBIGDAIVQGYSSM-UHFFFAOYSA-N	414.872	5.319	70	40	HKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)c(C)c1	218210624	AIDOSNCQVHCAGK-RUZDIDTESA-N	403.591	6.785	70	40	HKIB	
C[C@H]1[C@H]2[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13	217365439	UONFBIWUOHBYQS-GDUZKNOUSA-N	407.510	5.436	70	40	HKIB	
COc1ccc2c(c1)[C@@H](NC(=O)c1cc3c(ccc4ccccc43)o1)CC(C)(C)O2	218499403	SBOMWJWYXUYFBI-FQEVSTJZSA-N	401.462	5.627	70	40	HKIB	
Cc1ccc(SCc2ccc(C(=O)NCc3cccc(OC(C)C)c3)cc2)cc1	218206724	IBVWIKYHUXMRIH-UHFFFAOYSA-N	405.563	6.005	70	40	HKIB	
O=C1CS[C@@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccccc1	216674006	NWZLPIHDTRQGGP-FQEVSTJZSA-N	413.340	5.014	70	40	HKIB	
COc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1	218207616	MEGLGZDVSXEVNE-UHFFFAOYSA-N	405.563	5.659	70	40	HKIB	
C[C@H]1[C@@H]2[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@]2(C)Oc1ccccc13	217349202	HTEHTVFZNJDZHV-VOYQDMSPSA-N	413.558	5.246	70	40	HKIB	
CC(C)c1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1	218609949	OFWHLXOBGVXMDE-UHFFFAOYSA-N	403.591	6.465	70	40	HKIB	
O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1Br	218220217	KUNPOFHOPIWERG-UHFFFAOYSA-N	419.171	5.419	70	40	HKIB	
C[SiH](C)O[Si](C)(C)Oc1cccc(Oc2cccc(Oc3ccccc3)c2)c1	408722241	RWKRGSUUVDBEDZ-UHFFFAOYSA-N	410.618	6.352	70	40	HKIB	
O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(OC2CCCC2)cc1	218154394	GLYAOFGFKUYPFE-UHFFFAOYSA-N	410.366	6.187	70	40	HKIB	
CCOc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1	218606472	PBBXFXJTJGANNE-UHFFFAOYSA-N	405.563	5.740	70	40	HKIB	
CC1(C)C[C@@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2O1	217999178	HEHOVEGGVCNFDE-JOCHJYFZSA-N	403.547	6.011	70	40	HKIB	
O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1	217909224	MYFVBCOUKVJSBE-XBXARRHUSA-N	408.672	5.026	70	40	HKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1	218714292	KLNJHXVTTPYSAZ-APWZRJJASA-N	401.934	5.451	70	40	HKIB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(CSc2ccccc2)cc1	218003119	MMRRLKDXUINWAZ-UHFFFAOYSA-N	415.518	5.301	70	40	HKIB	
CCCCCCCCC[Si](F)(CCCCCCCC)CCCCCCCC	195754374	SKCCSPUTELIRFK-UHFFFAOYSA-N	400.783	10.373	70	40	HKIB	
Fc1c(F)c(F)c(OCCCCCC[Si](Cl)(Cl)Cl)c(F)c1F	627274944	PSRKRSBBIMVALT-UHFFFAOYSA-N	401.662	5.977	70	40	HKIB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cc2c(ccc3ccccc32)o1	218502285	NRMJRRRJGUAZQC-UHFFFAOYSA-N	417.852	5.562	70	40	HKIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C	218006800	XZWMWWYDEYEMDT-SFHVURJKSA-N	409.982	6.740	70	40	HKIB	
O=C(CSCc1ccc(Br)cc1)Nc1ccc(OC2CCCC2)cc1	218196458	ZKTLLEOXFGLOHK-UHFFFAOYSA-N	420.372	5.642	70	40	HKIB	
O=C(NCc1nc(-c2ccccc2Cl)no1)c1cc2c(ccc3ccccc32)o1	218501275	CWRUMGOPNUCTKP-UHFFFAOYSA-N	403.825	5.219	70	40	HKIB	
O=C(CSCc1c(Cl)cccc1Cl)NCCCc1ccccc1Cl	218153081	QCQVCTAGUBWGQP-UHFFFAOYSA-N	402.774	5.629	70	40	HKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1C	218007063	JGJNXWSJXJMFHD-XMMPIXPASA-N	424.009	7.130	70	40	HKIB	
CC(C)Oc1cccc(CCCNC(=O)CSCc2c(F)cccc2Cl)c1	218201733	MUMRMGFIKQMFDU-UHFFFAOYSA-N	409.954	5.249	70	40	HKIB	
O=C(Nc1ccccc1C(=O)NCc1ccccc1)/C(=C/c1ccco1)c1ccccc1	218100817	UKHNJGVNERIUEH-HKOYGPOVSA-N	422.484	5.389	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2	218203964	WPOMDPVIJRCTKF-GOSISDBHSA-N	423.937	5.140	70	40	HKIB	
COc1cccc(NC(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)c1OC	217643257	CGSMGNXCBLPLSL-QGZVFWFLSA-N	413.326	5.290	70	40	HKIB	
Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C)c1Cl	218710679	QMEICJHDIJJYME-KRWDZBQOSA-N	407.897	5.594	70	40	HKIB	
O=S(=O)(OC(=C(c1ccccc1)c1ccccc1)c1ccccc1)C(F)(F)F	43393945	LIQYZMTWXROQGB-UHFFFAOYSA-N	404.409	5.469	70	40	HKIB	
O=C(Nc1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217802204	SBUCEJPZLRAUCE-CQSZACIVSA-N	414.868	5.016	70	40	HKIB	
O=C(Nc1ccccc1C(=O)NC1CCCCC1)/C(=C/c1ccco1)c1ccccc1	218100600	JGNPYYUHBGTDBB-PTGBLXJZSA-N	414.505	5.521	70	40	HKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218668468	GTBYTCOPGYLMTP-KKSFZXQISA-N	411.542	5.179	70	40	HKIB	
O=C1CS[C@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccccc1	216674697	IZVQFPHMUABOKM-HXUWFJFHSA-N	402.441	5.270	70	40	HKIB	
CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OCc3ccccc3)cc12	217767457	HOOJMRKALLCBAS-UHFFFAOYSA-N	400.478	5.149	70	40	HKIB	
O=C(c1ccc(Cl)s1)N1CCS[C@H]1c1ccc(F)c(Br)c1	217646524	CHAVTFFUYCTJOP-AWEZNQCLSA-N	406.729	5.191	70	40	HKIB	
O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc2c(ccc3ccccc32)o1	218495256	WRZVBQPWOFDNGM-UHFFFAOYSA-N	412.489	5.855	70	40	HKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2	218000533	NMFUVJKLCPNFQY-QHCPKHFHSA-N	417.574	6.320	70	40	HKIB	
CC1(C)C[C@@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2O1	218196647	ZTTLITOUGTVWLI-QGZVFWFLSA-N	420.372	5.101	70	40	HKIB	
O=C1CS[C@@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccccc1	216673901	PAFHKRJXUPHVHH-FQEVSTJZSA-N	402.441	5.270	70	40	HKIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C	218006719	XZWMWWYDEYEMDT-GOSISDBHSA-N	409.982	6.740	70	40	HKIB	
COc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC	217999631	AHTQPSKNMXSBFH-UHFFFAOYSA-N	421.562	5.359	70	40	HKIB	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CCSc3ccccc3)C2)n1	217830203	YUWYEJKITAMMRK-IBGZPJMESA-N	421.566	5.009	70	40	HKIB	
Cc1cc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc(C)c1Cl	218710823	YUXQGSABINRQRC-SFHVURJKSA-N	403.950	5.260	70	40	HKIB	
COc1ccc2c(c1)[C@H](NC(=O)CSCc1cccc(Cl)c1)CC(C)(C)O2	218037797	GSYLNNQNCGOCLY-GOSISDBHSA-N	405.947	5.000	70	40	HKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)cc1C	218210860	KCLBXJWKKKLHFF-VWLOTQADSA-N	403.591	6.785	70	40	HKIB	
CC(C)c1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	218003888	JGTKXNANZFFWBC-UHFFFAOYSA-N	403.591	6.465	70	40	HKIB	
O=C(NCCSCc1c(F)cccc1Cl)/C(=C/c1ccco1)c1ccccc1	218099884	ZYLVCCXEVPQBLW-NBVRZTHBSA-N	415.917	5.662	70	40	HKIB	
CC(C)Oc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1	218605936	FFCOTNPYSUIWAF-UHFFFAOYSA-N	419.590	6.129	70	40	HKIB	
CC(C)Oc1cccc(CCCNC(=O)c2ccccc2SCc2ccccc2)c1	218605822	CKBZCPUYKHDKQV-UHFFFAOYSA-N	419.590	6.129	70	40	HKIB	
CC(C)(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)SSc1ccccn1	575628822	AYVZOOXFTJNGJZ-UHFFFAOYSA-N	423.428	5.682	70	40	HKIB	
CCCc1nnsc1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218607665	XIAYVTRERLQTOD-UHFFFAOYSA-N	424.526	5.673	70	40	HKIB	
CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1	218715998	PYJZGFHGFWTTDZ-QAPCUYQASA-N	405.922	5.009	70	40	HKIB	
O=C(NCCCN1CCCc2ccccc21)c1ccc(CSc2ccccc2)cc1	218004110	SWFRTSPPQGTOOR-UHFFFAOYSA-N	416.590	5.552	70	40	HKIB	
CC(C)Oc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217998843	YRQNCTCWRWQGRA-UHFFFAOYSA-N	419.590	6.129	70	40	HKIB