smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C(/N=N/c1ccccc1)=P(/C=C/c1ccccc1)(CC)CC	104155261	SWYFLZAHFBSQNB-QZOSNYCWSA-N	382.444	6.192	70	40	GKIB	
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	218669272	OFQKCADWQVSWIZ-OXQOHEQNSA-N	399.531	5.036	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217953930	DEUJVRLTBZTATI-ZGQNHIEXSA-N	393.527	5.425	70	40	GKIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)c1	216740729	WPADYWBGVDTSMQ-OAQYLSRUSA-N	386.417	5.336	70	40	GKIB	
Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1SCc1ccccc1	218606885	RZJASDKYCFWLDP-IBGZPJMESA-N	391.536	5.485	70	40	GKIB	
CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1	217763844	UWRRKXHMMMTCNA-KRWDZBQOSA-N	379.500	5.742	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217953524	VSRUUPRLOUANFK-PAGBRTJLSA-N	377.528	5.724	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218665553	AIQSKBRYNFJHRJ-LJQANCHMSA-N	397.559	5.289	70	40	GKIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)c1	216741458	XGZKWUZLFLOOOA-NRFANRHFSA-N	386.417	5.336	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)CCSc1ccc(Cl)cc1	218088020	FSLZLAPHIGVUAM-UHFFFAOYSA-N	391.964	5.360	70	40	GKIB	
CCOc1ccc(-c2nc(N)cc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1	217757228	JMTXKJVMQHPRKW-UHFFFAOYSA-N	398.466	5.660	70	40	GKIB	
CCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC	218164060	COWSGHAHURHPTL-UHFFFAOYSA-N	375.468	5.081	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(-c2ccccc2)cc1	218165792	WYOUDOSZCQOOGA-QFIPXVFZSA-N	387.479	5.394	70	40	GKIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)c1	216741944	SLVWUQKBTXRNHJ-NRFANRHFSA-N	386.417	5.336	70	40	GKIB	
Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216733153	UFAUMABIKPPFRL-IBGZPJMESA-N	376.353	5.171	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1	218033868	UXMVQIXZGKTRBA-UHFFFAOYSA-N	375.965	5.446	70	40	GKIB	
Cc1ccc(SCc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cc1	218208524	OMHNMZDJKYBZOD-UHFFFAOYSA-N	390.552	5.154	70	40	GKIB	
CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C)c(C)c1	218608418	GJDZYQUNDJOFQY-HSZRJFAPSA-N	389.564	6.477	70	40	GKIB	
CN(CCCNC(=O)c1ccccc1SCc1ccccc1)c1ccccc1	218610059	FUEDKFLLAMZFID-UHFFFAOYSA-N	390.552	5.235	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccc(Cl)cc1	217982457	MBNOQRJNOQHOQQ-KRWDZBQOSA-N	375.921	5.159	70	40	GKIB	
COC(=O)[C@H](C)C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1	218633993	UPKBNWFSKZKMBB-IAQYHMDHSA-N	383.246	5.298	70	40	GKIB	
Cc1ccccc1OC[C@H](C)NC(=O)CSCc1c(Cl)cccc1Cl	218155110	KMUHAFBCMOHMRA-AWEZNQCLSA-N	398.355	5.119	70	40	GKIB	
Cc1cc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Cl	218711841	DVFDKVYSWCCRDS-CRAIPNDOSA-N	387.907	5.143	70	40	GKIB	
CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	216729749	VFAIHMFDGRDBMP-NRFANRHFSA-N	397.316	5.338	70	40	GKIB	
Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1	218607075	AHUWEJFWIYQHPW-IBGZPJMESA-N	391.536	5.485	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218667713	RQNRNGJSNDULIF-DYESRHJHSA-N	395.543	5.478	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217991021	NKCSAWDTNRXMLQ-KBXCAEBGSA-N	389.948	5.548	70	40	GKIB	
C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	218067325	AOFMCCAHVPEBBA-QGZVFWFLSA-N	375.493	5.178	70	40	GKIB	
O=C(Nc1ccccc1Cl)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1	217633253	OUXSIMKAJJJDCJ-OAHLLOKOSA-N	386.826	5.638	70	40	GKIB	
Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc(C)c1Cl	218711475	FNKNZOMMDPHZHI-MRXNPFEDSA-N	387.907	5.684	70	40	GKIB	
O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1Br	218219893	KWYSWVLEXYXWMK-UHFFFAOYSA-N	398.325	5.994	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1cccc(Cl)c1	218037548	BRJALJPZDPUGNQ-SFHVURJKSA-N	389.948	5.300	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)CC(C)(C)O2	218104885	ZEBLEOFZQBRPEA-QDUHJBTASA-N	387.479	5.547	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1	218664467	NCCCKDZHXHHWRV-IBGZPJMESA-N	397.559	5.288	70	40	GKIB	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	218285408	NFFWYVBPVHIBBK-IBGZPJMESA-N	382.548	6.315	70	40	GKIB	
CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216729813	DYYLPOVWZJFYQL-OAQYLSRUSA-N	386.417	5.594	70	40	GKIB	
O=C(c1cc2ccccc2o1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1	217630899	PBXGVLMZIQHDAV-GOSISDBHSA-N	377.387	5.339	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1cccc(Cl)c1)CC(C)(C)O2	218037442	UZVPVHZXKOXNJB-GOSISDBHSA-N	389.948	5.300	70	40	GKIB	
Cc1ccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc54)o3)n2)cc1	218501867	YHYARWARVIQOEC-UHFFFAOYSA-N	397.434	5.217	70	40	GKIB	
CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	217908403	HZOCBHPRIOVYTA-PYUISTEWSA-N	394.298	5.291	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1	217987906	FZWYMWMGZIQFEA-INIZCTEOSA-N	391.964	5.357	70	40	GKIB	
CCOc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OCC	218538073	UCUMVQJPTPTGCD-UHFFFAOYSA-N	383.532	5.031	70	40	GKIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)c1	216740670	SIWZWGKNKLLFBW-NRFANRHFSA-N	397.316	5.079	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)c1cc2c(ccc3ccccc32)o1	218498118	BJQRTQAPMDSGEB-UHFFFAOYSA-N	387.479	5.737	70	40	GKIB	
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12	217767244	LURFJKCFRZEEMD-UHFFFAOYSA-N	399.490	5.754	70	40	GKIB	
COc1ccccc1/C=C/C(=O)Nc1ccc(CSc2ccccc2)cc1	217963655	YDHLPQSKNABLJV-DTQAZKPQSA-N	375.493	5.639	70	40	GKIB	
CCCCOc1ccc(NC(=O)N2CCS[C@@H]2c2cccc(OC)c2)cc1	217640312	SEJVTOWEZXXMEP-HXUWFJFHSA-N	386.517	5.154	70	40	GKIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	217988425	WVZNKEBXUBSKOW-CXAGYDPISA-N	375.921	5.239	70	40	GKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1C	218001833	YULJVKOFNOVWLS-DEOSSOPVSA-N	389.564	6.477	70	40	GKIB	
O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1	218042220	BMTRCNZPCZOEHJ-UHFFFAOYSA-N	395.911	5.443	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1	218103071	GDLDKTRMSYEONZ-HKOYGPOVSA-N	389.495	5.356	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	218539466	AGBMDCAHRYHTFL-UHFFFAOYSA-N	381.560	5.453	70	40	GKIB	
COC(=O)c1c(C)n(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc12	216942724	UUYSWCXIMKOAMN-UHFFFAOYSA-N	399.446	5.004	70	40	GKIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218665308	XTQDJJWEEKAMPY-JXFKEZNVSA-N	381.516	5.170	70	40	GKIB	
Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	216719103	MYVBSXCVWYYEBP-HXUWFJFHSA-N	383.289	5.084	70	40	GKIB	
O=C(CSCc1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1	218029066	JAMFZZPHUTXZOW-UHFFFAOYSA-N	375.921	5.533	70	40	GKIB	
CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	218669497	OFQKCADWQVSWIZ-JXFKEZNVSA-N	399.531	5.036	70	40	GKIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)c1	216740839	MIAGTBDDZPOUFI-OAQYLSRUSA-N	397.316	5.079	70	40	GKIB	
CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1	217764040	OZMJWDVYMRXCJO-SFHVURJKSA-N	393.527	5.937	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1	218613965	AWQYVTXKJGNOQX-UHFFFAOYSA-N	378.560	5.159	70	40	GKIB	
CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)OC	216662810	KLCDOYPSSKBFRL-UHFFFAOYSA-N	383.520	8.311	70	40	GKIB	
O=C(c1nc2ccccc2s1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1	217631317	GIOOVZZPFQEKIJ-QGZVFWFLSA-N	394.443	5.203	70	40	GKIB	
CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1cccnc1	217764143	QFYZVIKFNMQUHR-MRXNPFEDSA-N	380.488	5.137	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1Cl)CC(C)(C)O2	218030538	KMYRTVPRGWUWQA-GOSISDBHSA-N	389.948	5.300	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217988966	JWIHEOCSRCBZDO-MRXNPFEDSA-N	391.964	5.358	70	40	GKIB	
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)CC(C)(C)O2	217953723	RWGNXDOBTXOXEN-ZGQNHIEXSA-N	393.527	5.425	70	40	GKIB	
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1	217999752	HTNQEQLRNIEFCK-LJQANCHMSA-N	391.536	5.485	70	40	GKIB	
CC1(C)C[C@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2O1	218202321	PYSYFEQZCRCBJZ-KRWDZBQOSA-N	393.911	5.131	70	40	GKIB	
O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1ccco1)c1ccccc1	218094925	HIFNOIWORPZBSD-HMMYKYKNSA-N	383.900	5.382	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218665637	AIQSKBRYNFJHRJ-IBGZPJMESA-N	397.559	5.289	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)CSCc2cccc(Cl)c2)c1	218035807	HYCVVQRFNGLVFQ-UHFFFAOYSA-N	391.964	5.109	70	40	GKIB	
Cl[Si](Cl)(Cl)CCCCCCCC[Si](Cl)(Cl)Cl	195772450	GFJGILDCJZMQTN-UHFFFAOYSA-N	381.106	6.638	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)CSCc1cccc(Cl)c1	218036493	ROQSBCBEBZUTJQ-UHFFFAOYSA-N	391.964	5.111	70	40	GKIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	216737880	WYTZZBWFMYOALV-OAQYLSRUSA-N	397.316	5.079	70	40	GKIB	
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1	216927484	XCJJODPSTUUAJG-VGOFMYFVSA-N	392.543	5.109	70	40	GKIB	
CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1	217766736	YNUMPSZRZKVQKS-UHFFFAOYSA-N	379.500	5.548	70	40	GKIB	
Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc(C)c1Cl	218709368	DVXRWJNORDXVSM-OAHLLOKOSA-N	380.315	5.127	70	40	GKIB	
Cc1cc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Cl	218711914	DVFDKVYSWCCRDS-YJBOKZPZSA-N	387.907	5.143	70	40	GKIB	
Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)c1	216716414	OFNGEPNVOFWMFZ-FQEVSTJZSA-N	383.289	5.084	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)O2	217836751	UJVNMVISIBGYOB-MRXNPFEDSA-N	394.298	5.099	70	40	GKIB	
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1	217999832	HTNQEQLRNIEFCK-IBGZPJMESA-N	391.536	5.485	70	40	GKIB	
Cc1ccccc1CSCCNC(=O)/C(=C/c1ccco1)c1ccccc1	218099668	FCPNXZIIFDEOAQ-CJLVFECKSA-N	377.509	5.178	70	40	GKIB	
CC1(C)C[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1	217906016	JZRTUJCEJDDIPX-SYJIQKIWSA-N	376.283	5.425	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)/C(=C/c1ccco1)c1ccccc1	218103899	SDRNMOCOMXRXTG-FCDQGJHFSA-N	389.495	5.358	70	40	GKIB	
CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1	217955405	SNDPDZCNTWUUAY-AWNIVKPZSA-N	395.890	5.017	70	40	GKIB	
F[B-](F)(F)Nc1ccc(-c2ccc(N[B-](F)(F)F)c(Cl)c2)cc1Cl	195782514	YZFNHGJZMQDTIW-UHFFFAOYSA-N	386.728	6.172	70	40	GKIB	
Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc(C)c1Cl	218709290	DVXRWJNORDXVSM-HNNXBMFYSA-N	380.315	5.127	70	40	GKIB	
Cl[Si](c1ccccc1)(c1ccccc1)C1c2ccccc2-c2ccccc21	195756871	QUYDSKYNFIMLFU-UHFFFAOYSA-N	382.966	5.337	70	40	GKIB	
Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1C	218198005	GFVQKRNWQRGUMR-HNNXBMFYSA-N	392.362	5.177	70	40	GKIB	
Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)c1	216716372	OFNGEPNVOFWMFZ-HXUWFJFHSA-N	383.289	5.084	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217990873	NKCSAWDTNRXMLQ-RDTXWAMCSA-N	389.948	5.548	70	40	GKIB	
CC(C)Oc1cccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)c1	217997030	VKYWCVZKTWTHLG-UHFFFAOYSA-N	391.536	5.696	70	40	GKIB	
C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	218067408	AOFMCCAHVPEBBA-KRWDZBQOSA-N	375.493	5.178	70	40	GKIB	
Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)c1	216717260	BBLCXMYDOUZNFD-HXUWFJFHSA-N	383.289	5.084	70	40	GKIB	
O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1	218087213	CPVABSWMLNLQQU-UHFFFAOYSA-N	395.911	5.692	70	40	GKIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	217988238	JLPLTIPDTZTRMH-CQSZACIVSA-N	375.921	5.781	70	40	GKIB	
O=C(Nc1ccc(OCc2ccccc2)cc1)/C(=C/c1ccco1)c1ccccc1	218097882	HHCOIQRWDBEMRR-XIEYBQDHSA-N	395.458	6.038	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1	218043935	ZXZQQBYFMXOGBS-SFHVURJKSA-N	389.948	5.300	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)CC(C)(C)O2	217907299	ZWYHGOWVVSJXRK-YOCVDRLZSA-N	390.310	5.734	70	40	GKIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)c1	216740780	WPADYWBGVDTSMQ-NRFANRHFSA-N	386.417	5.336	70	40	GKIB	
CCCCOc1ccc(NC(=O)N2CCS[C@H]2c2cccc(OC)c2)cc1	217640391	SEJVTOWEZXXMEP-FQEVSTJZSA-N	386.517	5.154	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1Cl	217836981	HABUALNXNAPLQV-MRXNPFEDSA-N	394.298	5.099	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)CSCc1ccccc1Cl	218029478	BLUGTQNPCSNQNB-UHFFFAOYSA-N	391.964	5.111	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1	218497393	DYVMNDXEJHMQQM-UHFFFAOYSA-N	387.479	5.736	70	40	GKIB	
c1ccc2cc(B(c3cccc4ccccc34)c3cccc4ccccc34)ccc2c1	195774050	MUDIPIZLIKKKAN-UHFFFAOYSA-N	392.310	5.662	70	40	GKIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)c1	216741405	XGZKWUZLFLOOOA-OAQYLSRUSA-N	386.417	5.336	70	40	GKIB	
CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	218542120	DTPXNTQKOPXQLA-HXUWFJFHSA-N	383.532	5.201	70	40	GKIB	
CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)c(C)c1	218156254	DYTWDUPWYPSPLL-LJQANCHMSA-N	396.383	6.111	70	40	GKIB	
NCc1ccc(OCCCCCCCCCCOc2ccc(CN)cc2)cc1	218395512	ARJRITAWEZXYSW-UHFFFAOYSA-N	384.564	5.183	70	40	GKIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216738718	NMDDULJVXMMYHD-NRFANRHFSA-N	386.417	5.336	70	40	GKIB	
Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)c1	216717302	BBLCXMYDOUZNFD-FQEVSTJZSA-N	383.289	5.084	70	40	GKIB	
O=C(CSCc1c(Cl)cccc1Cl)NCCCc1ccc(F)cc1	218153296	CXCYRKXATCPUOJ-UHFFFAOYSA-N	386.319	5.115	70	40	GKIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)c1	216742126	YYNWZDRPPWQYSZ-OAQYLSRUSA-N	397.316	5.079	70	40	GKIB	
CCCCN(Cc1ccccc1)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	218323957	QAOVIODZMKJBOG-HSZRJFAPSA-N	386.583	6.970	70	40	GKIB	
CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1cccnc1	217764247	QFYZVIKFNMQUHR-INIZCTEOSA-N	380.488	5.137	70	40	GKIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1	216739066	JGXJWFSKYDVZQQ-NRFANRHFSA-N	397.316	5.079	70	40	GKIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	217988666	WVZNKEBXUBSKOW-GUYCJALGSA-N	375.921	5.239	70	40	GKIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216738000	UJJSBXOUQSVBHW-OAQYLSRUSA-N	386.417	5.336	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1	218042413	WMUAVNBTVHOFSV-UHFFFAOYSA-N	391.964	5.109	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccc(Cl)cc1	218089112	ANNKTVFIFSOXGA-SFHVURJKSA-N	389.948	5.549	70	40	GKIB	
CC1(C)[C@H]2C[C@H](B3C4CCCC3CCC4)[C@@H](CCOCc3ccccc3)[C@@H]1C2	195813345	OTFFBHKQLFFQNX-TUDJXYBHSA-N	378.409	7.249	70	40	GKIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)c1	216725078	LJVUGRQMKRBCDK-FQEVSTJZSA-N	388.389	5.040	70	40	GKIB	
Fc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216732500	XHVDGAKIKWEFSI-IBGZPJMESA-N	376.353	5.171	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218667443	BIQRJRYTGJOVIH-UWJYYQICSA-N	395.543	5.478	70	40	GKIB	
COc1cc(CNC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OC(C)C	218496206	VIUBDVQEHYTVIJ-UHFFFAOYSA-N	389.451	5.312	70	40	GKIB	
Cc1cc(Nc2ccccc2)nc2ccc(S(=O)(=O)Cc3ccccc3)cc12	217429636	ODAYFKUEDPMQSQ-UHFFFAOYSA-N	388.492	5.261	70	40	GKIB	
CC[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(OC)c(OC)c1	218106288	GEZCFVFFWVDCKN-UZLGTAQGSA-N	391.467	5.105	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	218103188	DOSPGMVBJVSAPI-HKOYGPOVSA-N	389.495	5.356	70	40	GKIB	
CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)cc1C	218156485	SFGSUWOYYSDDEH-IBGZPJMESA-N	396.383	6.111	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1ccco1)c1ccccc1	218105138	HYQOVXIDVNWRHI-ONQWYEKWSA-N	387.479	5.547	70	40	GKIB	
CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	217954391	BPSWKQWTKYJGFN-XMUSRXTASA-N	381.516	5.282	70	40	GKIB	
Cc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1	218605634	NYKVKWJAFCIHQI-UHFFFAOYSA-N	377.509	5.096	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)CSCc2ccccc2Cl)c1	218028762	KYRRVVDJOHJHTP-UHFFFAOYSA-N	391.964	5.109	70	40	GKIB	
Cc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C	218608317	HKKOUFHUIDDFOJ-IBGZPJMESA-N	375.537	6.087	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1	218042892	VKZDTAAJSCBFGF-UHFFFAOYSA-N	391.964	5.111	70	40	GKIB	
Cc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(OC(F)(F)F)cc1	217644482	GEEPNJFXCMNSCB-MRXNPFEDSA-N	382.407	5.173	70	40	GKIB	
CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)c(C)c1	218156324	DYTWDUPWYPSPLL-IBGZPJMESA-N	396.383	6.111	70	40	GKIB	
Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1	218208086	QRNCCGVBJJRIFA-UHFFFAOYSA-N	391.536	5.405	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1	217951517	OQTYISFEAUHUSC-DTQAZKPQSA-N	379.544	5.534	70	40	GKIB	
Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216733265	FRJYVQPPSMHXBM-IBGZPJMESA-N	376.353	5.171	70	40	GKIB	
O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1	218035685	CKKLLYVDIGECMZ-UHFFFAOYSA-N	395.911	5.443	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1	218044007	ZXZQQBYFMXOGBS-GOSISDBHSA-N	389.948	5.300	70	40	GKIB	
COc1cccc(CCCNC(=O)c2ccccc2SCc2ccccc2)c1	218605214	APFSGNREMKPFKE-UHFFFAOYSA-N	391.536	5.350	70	40	GKIB	
Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1	217955625	RNMRYLORYRZSHZ-SDNWHVSQSA-N	389.499	5.014	70	40	GKIB	
COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1Cl)CC(C)(C)O2	217856030	VDZBMOPLSYWGHT-MRXNPFEDSA-N	380.271	5.034	70	40	GKIB	
CCOc1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OCC	217950252	AXDHRJJMXYCHAD-RVDMUPIBSA-N	381.516	5.111	70	40	GKIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)c1	216725168	QOOPEEIIHYSFNG-FQEVSTJZSA-N	388.389	5.040	70	40	GKIB	
CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	218539273	XOUUMUQXKLIFMK-UHFFFAOYSA-N	385.507	5.786	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)cc1	218735960	GXSJINRTLSBQIC-UHFFFAOYSA-N	389.923	5.035	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217990953	NKCSAWDTNRXMLQ-KSSFIOAISA-N	389.948	5.548	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccc(Cl)cc1)CC(C)(C)O2	218737091	GDJNYNJSHVTSDB-LJQANCHMSA-N	387.907	5.226	70	40	GKIB	
C=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccc(Cl)c(Cl)c1	104160773	PGJNWLZUGQBEIL-FQEVSTJZSA-N	375.235	5.085	70	40	GKIB	
CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217993193	BXVWCHRAHYHGIA-CXAGYDPISA-N	393.936	5.105	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1	218040759	FMVIKSYTCVNCNC-UHFFFAOYSA-N	375.965	5.446	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1	218087419	FWLJSPINFWQLDD-UHFFFAOYSA-N	391.964	5.358	70	40	GKIB	
CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)c(OC)c1	218166401	RTOSRUOJXRDVPJ-NRFANRHFSA-N	375.468	5.252	70	40	GKIB	
CC[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(OC)c(OC)c1	218500365	WFQNZAQDEIMAKR-LJQANCHMSA-N	389.451	5.484	70	40	GKIB	
C[C@H]1[C@H]2[C@H]3OC[C@@]1(COC(=O)c1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13	217370848	WIFNCGJZNHYSGP-HXJYOHLDSA-N	392.495	5.045	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)CC(C)(C)O2	217907385	ZWYHGOWVVSJXRK-AHKGRUIUSA-N	390.310	5.734	70	40	GKIB	
COc1ccc(CSCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	218109978	JYKYDWYIDQVUNB-UHFFFAOYSA-N	379.481	5.359	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1	218539365	MIYOXFCSONRZSP-UHFFFAOYSA-N	381.560	5.453	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218667791	RQNRNGJSNDULIF-UWJYYQICSA-N	395.543	5.478	70	40	GKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)cc1	218210528	MZCQQYRSCSEWIP-HXUWFJFHSA-N	389.564	6.395	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(C(C)(C)C)cc1	218541129	DCOIYUAKAWNHTF-OAQYLSRUSA-N	379.544	5.644	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl	217906314	WNWXCISPBVQVCQ-ZRDIBKRKSA-N	392.326	5.544	70	40	GKIB	
Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1	218606988	AHUWEJFWIYQHPW-LJQANCHMSA-N	391.536	5.485	70	40	GKIB	
Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc(C)c1Cl	218719063	KQCQGWDHHIBWFY-GOSISDBHSA-N	387.951	5.597	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	217996429	WXWSHYVXYXPHOS-INIZCTEOSA-N	375.965	5.693	70	40	GKIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	216737929	WYTZZBWFMYOALV-NRFANRHFSA-N	397.316	5.079	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(Cl)cc1Cl	217907487	XIOVCYRIFSZZAZ-YOCVDRLZSA-N	390.310	5.734	70	40	GKIB	
CCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218285568	WPMMCLIDTKSTBO-MRXNPFEDSA-N	392.540	6.050	70	40	GKIB	
CC[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(OC)c(OC)c1	218500453	WFQNZAQDEIMAKR-IBGZPJMESA-N	389.451	5.484	70	40	GKIB	
COc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)CC(C)(C)O2	218165687	UKPXVVLMIQADGD-JOCHJYFZSA-N	387.479	5.394	70	40	GKIB	
O=S(=O)(Cl)c1cc(Br)cc(S(F)(F)(F)(F)F)c1	103625340	SXZAJNZMXREQNJ-UHFFFAOYSA-N	381.569	5.034	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	217988113	YQABMYRFKCNHDJ-INIZCTEOSA-N	391.964	5.357	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccc(Cl)cc1	218737166	MGCNPBWXKBHBBS-IBGZPJMESA-N	387.907	5.226	70	40	GKIB	
c1ccc2c(B(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1	195756774	PWPBSVUEGFJXIN-UHFFFAOYSA-N	392.310	5.662	70	40	GKIB	
Cc1cccc(CSCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1	218098643	JETLHGVIDGMTBE-CJLVFECKSA-N	377.509	5.178	70	40	GKIB	
O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)c1ccccc1	218028650	LJNMQDNJCTWONS-UHFFFAOYSA-N	395.911	5.443	70	40	GKIB	
CCOc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	217906202	VSHCXOXJQKPRGF-XYOKQWHBSA-N	378.299	5.154	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)c1ccccc1	218105059	HYQOVXIDVNWRHI-VAZXNAHHSA-N	387.479	5.547	70	40	GKIB	
Cc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C	218608245	HKKOUFHUIDDFOJ-LJQANCHMSA-N	375.537	6.087	70	40	GKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C)c(C)c1	218001554	VJDAWCLGHYXASQ-XMMPIXPASA-N	389.564	6.477	70	40	GKIB	
Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C	218001433	ZZYIEFXRENIGFU-IBGZPJMESA-N	375.537	6.087	70	40	GKIB	
C[C@H]1[C@@H]2[C@H]3OC[C@@]1(COC(=O)c1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13	217370789	WIFNCGJZNHYSGP-VOYQDMSPSA-N	392.495	5.045	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(-c2ccccc2)cc1	218165851	WYOUDOSZCQOOGA-JOCHJYFZSA-N	387.479	5.394	70	40	GKIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1	216721705	QGPSUSSCHJJXTE-FQEVSTJZSA-N	388.389	5.040	70	40	GKIB	
Cc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	216718865	QNYNMXBSIBNCAN-HXUWFJFHSA-N	383.289	5.084	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccc(Cl)cc1)CC(C)(C)O2	218088895	AQXDHTLWHJLFPC-SFHVURJKSA-N	389.948	5.549	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)CCCOc1ccc(Cl)cc1	218736388	ITARYVTYEZPIIQ-UHFFFAOYSA-N	389.923	5.037	70	40	GKIB	
CC1(C)C[C@@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2O1	218202256	PYSYFEQZCRCBJZ-QGZVFWFLSA-N	393.911	5.131	70	40	GKIB	
O=C(NCCCc1ccc(F)cc1)c1ccc(CSc2ccccc2)cc1	217997896	GQXDYCFOWLNWDQ-UHFFFAOYSA-N	379.500	5.481	70	40	GKIB	
Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	218021519	SPQWGKJQIZQLKC-UHFFFAOYSA-N	375.493	5.098	70	40	GKIB	
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1	218495467	BZDJSEYDWKXMHT-UHFFFAOYSA-N	386.451	5.367	70	40	GKIB	
CN(CCCNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1	218003996	VQAUOHPPHJEWCC-UHFFFAOYSA-N	390.552	5.235	70	40	GKIB	
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)CC(C)(C)O2	218165620	UKPXVVLMIQADGD-QFIPXVFZSA-N	387.479	5.394	70	40	GKIB	
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	218000044	IXXKOKMLSSRZEK-IBGZPJMESA-N	391.536	5.485	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)CC(C)(C)O2	218043753	KGFQKOIMRWAXGV-SFHVURJKSA-N	389.948	5.300	70	40	GKIB	
CCOc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OCC	217904509	XBSYSCXPXFMWLR-JXMROGBWSA-N	394.298	5.120	70	40	GKIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1	216722474	XFTLASSKKFYPCP-FQEVSTJZSA-N	388.389	5.040	70	40	GKIB	
Cc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C	218001349	ZZYIEFXRENIGFU-LJQANCHMSA-N	375.537	6.087	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(Cl)cc1Cl	217907569	XIOVCYRIFSZZAZ-AHKGRUIUSA-N	390.310	5.734	70	40	GKIB	
CCCCN(Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218324157	HTPOKXUGCFMVTE-HXUWFJFHSA-N	396.575	6.705	70	40	GKIB	
O=C(CSCc1cccc(Cl)c1)Nc1ccc(OC2CCCC2)cc1	218036053	OPZFGLJLLVWGFU-UHFFFAOYSA-N	375.921	5.533	70	40	GKIB	
Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)cc1	218207503	JFNPICUYOYUQKM-UHFFFAOYSA-N	393.527	5.789	70	40	GKIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	218665233	XTQDJJWEEKAMPY-UZLBHIALSA-N	381.516	5.170	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	218667870	RQNRNGJSNDULIF-LAUBAEHRSA-N	395.543	5.478	70	40	GKIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)c1	216724321	WVJKIELNAOBVIR-HXUWFJFHSA-N	388.389	5.040	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1	218047111	LIEUNBGUARVSHG-UHFFFAOYSA-N	375.965	5.446	70	40	GKIB	
CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C)c(C)c1	218204277	VCPDMDAVSLHLPA-LJQANCHMSA-N	379.928	5.597	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1	217838658	LSRXTLUYOWWOSG-UHFFFAOYSA-N	380.315	5.245	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217991211	JMHFVVAHTSSBQW-RDTXWAMCSA-N	389.948	5.548	70	40	GKIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216738677	NMDDULJVXMMYHD-OAQYLSRUSA-N	386.417	5.336	70	40	GKIB	
C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](Nc1nc(N4CCCC4)nc4ccccc14)(C3)C2	217928653	BCNSWISMQBQJHA-XSAWPFNUSA-N	376.548	5.391	70	40	GKIB	
CC1(C)C[C@@H](NC(=O)CCSc2ccc(Cl)cc2)c2ccccc2O1	218087722	BINZBNFVGFYVBG-QGZVFWFLSA-N	375.921	5.241	70	40	GKIB	
O=C(CSCc1c(F)cccc1Cl)NCCCc1ccc(Cl)cc1	218200748	KZTIJXGKJIJZOD-UHFFFAOYSA-N	386.319	5.115	70	40	GKIB	
Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1C	218197931	GFVQKRNWQRGUMR-OAHLLOKOSA-N	392.362	5.177	70	40	GKIB	
O=C(NCCSCc1ccccc1Cl)c1cc2c(ccc3ccccc32)o1	218494094	NQCKMSRQZSDYQN-UHFFFAOYSA-N	395.911	5.903	70	40	GKIB	
O=C(NCCSCc1ccccc1Cl)/C(=C/c1ccco1)c1ccccc1	218095260	DUXAGRLVPHWORS-HMMYKYKNSA-N	397.927	5.523	70	40	GKIB	
CC1(C)[C@H]2CC[C@]1(C)[C@@H](Oc1ccc(O[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc1)C2	217455036	WNOMWHYUDVIIQR-HCHSWLODSA-N	382.588	6.874	70	40	GKIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	217987728	XEKWXYOSAGVGMT-HNNXBMFYSA-N	395.911	5.690	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	217951632	GTMLPAUCQSMECC-SFQUDFHCSA-N	379.544	5.534	70	40	GKIB	
Cc1cc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Cl	218711752	DVFDKVYSWCCRDS-MAUKXSAKSA-N	387.907	5.143	70	40	GKIB	
COC(=O)[C@@H](C)C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1	218633792	UPKBNWFSKZKMBB-NHYWBVRUSA-N	383.246	5.298	70	40	GKIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)c1	216742174	YYNWZDRPPWQYSZ-NRFANRHFSA-N	397.316	5.079	70	40	GKIB	
CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)c(OC)c1	218166313	RTOSRUOJXRDVPJ-OAQYLSRUSA-N	375.468	5.252	70	40	GKIB	
CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCc1ccccc1	217763946	OZMJWDVYMRXCJO-GOSISDBHSA-N	393.527	5.937	70	40	GKIB	
O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1ccco1)c1ccccc1	218095467	MJECQQNFBPIQHJ-RCCKNPSSSA-N	397.927	5.523	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1Cl	217836901	HABUALNXNAPLQV-INIZCTEOSA-N	394.298	5.099	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)cc1Cl	217856210	KWFCWUHOUDBXKN-MRXNPFEDSA-N	380.271	5.034	70	40	GKIB	
C[C@H]1[C@H]2[C@@H]3OC[C@@]1(COC(=O)c1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13	217370936	WIFNCGJZNHYSGP-GDUZKNOUSA-N	392.495	5.045	70	40	GKIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)c1	216725133	QOOPEEIIHYSFNG-HXUWFJFHSA-N	388.389	5.040	70	40	GKIB	
CSc1ccc([S@](C)(OS(=O)(=O)C(F)(F)F)c2ccccc2)cc1	100043965	MULHOHJEFXGPJR-UHFFFAOYSA-N	396.477	5.042	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccc(Cl)cc1	217982529	MBNOQRJNOQHOQQ-QGZVFWFLSA-N	375.921	5.159	70	40	GKIB	
O=S(=O)(Cl)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1	100103130	HSYYKVMTHJJJMY-UHFFFAOYSA-N	388.272	5.197	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1	218206220	RRFHBKGUSIGFSA-UHFFFAOYSA-N	393.955	5.585	70	40	GKIB	
O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1	218735795	FLCKAFRGWYQALN-UHFFFAOYSA-N	393.870	5.369	70	40	GKIB	
CCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	218285429	NFFWYVBPVHIBBK-LJQANCHMSA-N	382.548	6.315	70	40	GKIB	
Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	218147678	BRXSWFNHFIFNQG-UHFFFAOYSA-N	375.493	5.347	70	40	GKIB	
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC3CCCC3)cc12	217768708	GFSWWTHJXOHKHU-UHFFFAOYSA-N	377.484	5.496	70	40	GKIB	
Cc1cc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc(C)c1Cl	218709104	OLVNZNPLFBOLCF-HNNXBMFYSA-N	380.315	5.127	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)O2	217836709	UJVNMVISIBGYOB-INIZCTEOSA-N	394.298	5.099	70	40	GKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2)cc1	218207142	FBLZCLOJLKZGID-FQEVSTJZSA-N	389.564	6.395	70	40	GKIB	
O=C(c1cc2ccccc2o1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1	217630989	PBXGVLMZIQHDAV-SFHVURJKSA-N	377.387	5.339	70	40	GKIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1	216739019	JGXJWFSKYDVZQQ-OAQYLSRUSA-N	397.316	5.079	70	40	GKIB	
CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	218090138	YWQZBGGJMVKHRY-QGZVFWFLSA-N	393.936	5.107	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218672401	JIAGSRXSAGPHRH-IBGZPJMESA-N	381.560	5.624	70	40	GKIB	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	160358950	DEMNQPGBGIELQO-UHFFFAOYSA-N	399.498	5.051	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(Cl)cc1)CC(C)(C)O2	217982275	RSYDVTNJYWAJOO-KRWDZBQOSA-N	375.921	5.159	70	40	GKIB	
O=C(Nc1ccccc1Cl)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1	217633338	OUXSIMKAJJJDCJ-HNNXBMFYSA-N	386.826	5.638	70	40	GKIB	
CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1	217763763	UWRRKXHMMMTCNA-QGZVFWFLSA-N	379.500	5.742	70	40	GKIB	
CCCN(Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218322700	MJFPLJKCDWMLLT-IBGZPJMESA-N	382.548	6.315	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	217996360	WXWSHYVXYXPHOS-MRXNPFEDSA-N	375.965	5.693	70	40	GKIB	
O=C(c1nc2ccccc2s1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1	217631410	GIOOVZZPFQEKIJ-KRWDZBQOSA-N	394.443	5.203	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1)CC(C)(C)O2	218043834	KGFQKOIMRWAXGV-GOSISDBHSA-N	389.948	5.300	70	40	GKIB	
COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218541227	DQSQZQGSFATZNI-NRFANRHFSA-N	395.543	5.344	70	40	GKIB	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218285517	WPMMCLIDTKSTBO-INIZCTEOSA-N	392.540	6.050	70	40	GKIB	
Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	216719150	MYVBSXCVWYYEBP-FQEVSTJZSA-N	383.289	5.084	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218540860	MAOBZBIMDJIBKE-NRFANRHFSA-N	379.544	5.644	70	40	GKIB	
O=C(NCCCc1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1	217997787	JJUGYMJMDACDRH-UHFFFAOYSA-N	395.955	5.995	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1	218028872	PCGGPSRIKLQTNP-UHFFFAOYSA-N	391.964	5.109	70	40	GKIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216738044	UJJSBXOUQSVBHW-NRFANRHFSA-N	386.417	5.336	70	40	GKIB	
CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	218669423	OFQKCADWQVSWIZ-OXJNMPFZSA-N	399.531	5.036	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1Cl	218030641	WAPCVCNTGALJSE-SFHVURJKSA-N	389.948	5.300	70	40	GKIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	216738156	QXYKIKBKORZKBS-NRFANRHFSA-N	397.316	5.079	70	40	GKIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	217988590	WVZNKEBXUBSKOW-DYVFJYSZSA-N	375.921	5.239	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2)c1	218042307	XILKKELILSJINA-UHFFFAOYSA-N	391.964	5.109	70	40	GKIB	
Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	218137298	YFEOQPWSKNMRDI-KRWDZBQOSA-N	375.493	5.345	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(C(C)(C)C)cc1	218541497	LAPUPCVWFWZIHI-OAQYLSRUSA-N	395.543	5.344	70	40	GKIB	
CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	217954474	BPSWKQWTKYJGFN-XIJQHFHMSA-N	381.516	5.282	70	40	GKIB	
CCCN(Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218322786	MJFPLJKCDWMLLT-LJQANCHMSA-N	382.548	6.315	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1cccc(Cl)c1	218037628	BRJALJPZDPUGNQ-GOSISDBHSA-N	389.948	5.300	70	40	GKIB	
Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1	216719997	MRWDLRSLBBSLGN-HXUWFJFHSA-N	383.289	5.084	70	40	GKIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	217988323	JLPLTIPDTZTRMH-AWEZNQCLSA-N	375.921	5.781	70	40	GKIB	
CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	218669349	OFQKCADWQVSWIZ-UZLBHIALSA-N	399.531	5.036	70	40	GKIB	
O=C(CSCc1c(F)cccc1Cl)Nc1ccc(OC2CCCC2)cc1	218202026	PSCYYBBDMZTKHZ-UHFFFAOYSA-N	393.911	5.672	70	40	GKIB	
CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OC3CCCC3)cc12	217768821	CUVMZCLSCPNXRG-UHFFFAOYSA-N	391.511	5.691	70	40	GKIB	
CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217993266	BXVWCHRAHYHGIA-DYVFJYSZSA-N	393.936	5.105	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217953830	DEUJVRLTBZTATI-PBAKHKOTSA-N	393.527	5.425	70	40	GKIB	
O=C(CSCc1c(F)cccc1Cl)NCCCc1ccccc1Cl	218200620	SFRSYKISYRXSOM-UHFFFAOYSA-N	386.319	5.115	70	40	GKIB	
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)c1	216740885	MIAGTBDDZPOUFI-NRFANRHFSA-N	397.316	5.079	70	40	GKIB	
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)CC(C)(C)O2	217953637	RWGNXDOBTXOXEN-PBAKHKOTSA-N	393.527	5.425	70	40	GKIB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	217988508	WVZNKEBXUBSKOW-SUMWQHHRSA-N	375.921	5.239	70	40	GKIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1	216721663	QGPSUSSCHJJXTE-HXUWFJFHSA-N	388.389	5.040	70	40	GKIB	
COc1ccccc1CCCNC(=O)c1ccc(CSc2ccccc2)cc1	217997994	ZDYODZYGSXLCDS-UHFFFAOYSA-N	391.536	5.350	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(Cl)cc1)CC(C)(C)O2	217982361	RSYDVTNJYWAJOO-QGZVFWFLSA-N	375.921	5.159	70	40	GKIB	
CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	217908486	HZOCBHPRIOVYTA-JEJOPICUSA-N	394.298	5.291	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1	218664408	NCCCKDZHXHHWRV-LJQANCHMSA-N	397.559	5.288	70	40	GKIB	
O=C(NCCCc1ccccc1Cl)c1ccccc1SCc1ccccc1	218604790	IERZLLLKSJBSEN-UHFFFAOYSA-N	395.955	5.995	70	40	GKIB	
COc1ccccc1CCCNC(=O)c1ccccc1SCc1ccccc1	218605105	DUELRANXDGRABV-UHFFFAOYSA-N	391.536	5.350	70	40	GKIB	
COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218541292	DQSQZQGSFATZNI-OAQYLSRUSA-N	395.543	5.344	70	40	GKIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1	217956379	OTNACOVQJRHYJM-JLHYYAGUSA-N	395.528	5.158	70	40	GKIB	
CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)cc1C	218156428	SFGSUWOYYSDDEH-LJQANCHMSA-N	396.383	6.111	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2c(ccc3ccccc32)o1	218499222	NWOBSZMVZNLSNS-FQEVSTJZSA-N	385.463	5.927	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)CC(C)(C)O2	217953321	AVEGFVCBNQAKIY-PAGBRTJLSA-N	377.528	5.724	70	40	GKIB	
COc1ccc(CSCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1	218109381	JKYDRLKZUNXZEW-UHFFFAOYSA-N	391.536	5.157	70	40	GKIB	
Cc1cccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc54)o3)n2)c1	218501772	MXKFAQPYHMIYGH-UHFFFAOYSA-N	397.434	5.217	70	40	GKIB	
Cc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1	217644565	GEEPNJFXCMNSCB-INIZCTEOSA-N	382.407	5.173	70	40	GKIB	
CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216730456	SJBJGJGMQRIPIU-OAQYLSRUSA-N	386.417	5.594	70	40	GKIB	
COc1ccccc1/C=C/C(=O)NCCSCc1ccc(Cl)cc1Cl	217963866	XXOMDQUHHZEOCA-VQHVLOKHSA-N	396.339	5.065	70	40	GKIB	
O=C(Cn1cccc1)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218609871	FJDKTUMEVUKWKX-UHFFFAOYSA-N	377.444	5.056	70	40	GKIB	
O=C(NCCCc1ccccc1Cl)c1ccc(CSc2ccccc2)cc1	217997679	HGOOTDBPAPXJKV-UHFFFAOYSA-N	395.955	5.995	70	40	GKIB	
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)c1	218604593	PGMGKVNBBPVDMN-LJQANCHMSA-N	375.537	6.087	70	40	GKIB	
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)c1	217997476	UBWYCGPHDYPHTE-LJQANCHMSA-N	375.537	6.087	70	40	GKIB	
COC(=O)[C@@H](C)C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1	218633925	UPKBNWFSKZKMBB-XHDPSFHLSA-N	383.246	5.298	70	40	GKIB	
COc1cccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)c1	217998107	MSKLVJQKGKGWEB-UHFFFAOYSA-N	391.536	5.350	70	40	GKIB	
CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216730504	SJBJGJGMQRIPIU-NRFANRHFSA-N	386.417	5.594	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccc(Cl)cc1	217991289	JMHFVVAHTSSBQW-KSSFIOAISA-N	389.948	5.548	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218667522	BIQRJRYTGJOVIH-LAUBAEHRSA-N	395.543	5.478	70	40	GKIB	
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1	217956794	GBUNQAPIFZTGBM-XNTDXEJSSA-N	379.912	6.284	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1	218497484	PKNLGPPLJMRLHY-UHFFFAOYSA-N	387.479	5.736	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1	217987825	FZWYMWMGZIQFEA-MRXNPFEDSA-N	391.964	5.357	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)c1	218735877	WKAMFBADZCYEMR-UHFFFAOYSA-N	389.923	5.035	70	40	GKIB	
CCCC1CCC(CCc2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)CC1	100910991	ZXEGUJOVINIDKD-UHFFFAOYSA-N	396.446	5.593	70	40	GKIB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1	217987654	XEKWXYOSAGVGMT-OAHLLOKOSA-N	395.911	5.690	70	40	GKIB	
Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1c(Cl)cccc1Cl	218155036	KMUHAFBCMOHMRA-CQSZACIVSA-N	398.355	5.119	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	217905688	OLTFRWZLIJFEMX-XYOKQWHBSA-N	392.326	5.543	70	40	GKIB	
COc1cc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1OC(C)C	217904612	RHLRQGVRQKFVJP-RMKNXTFCSA-N	394.298	5.119	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)CC(C)(C)O2	217953238	AVEGFVCBNQAKIY-OQHXPNFOSA-N	377.528	5.724	70	40	GKIB	
Cc1ccc([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C	218156052	KKFMANJNVXZJCO-CQSZACIVSA-N	382.356	5.721	70	40	GKIB	
COC(=O)[C@H](C)C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1cccc(Cl)c1	218633860	UPKBNWFSKZKMBB-ABAIWWIYSA-N	383.246	5.298	70	40	GKIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)c1	216741528	SLVWUQKBTXRNHJ-OAQYLSRUSA-N	386.417	5.336	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1cccc(Cl)c1)CC(C)(C)O2	218037361	UZVPVHZXKOXNJB-SFHVURJKSA-N	389.948	5.300	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(C(C)(C)C)cc1	218541411	LAPUPCVWFWZIHI-NRFANRHFSA-N	395.543	5.344	70	40	GKIB	
CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216729858	DYYLPOVWZJFYQL-NRFANRHFSA-N	386.417	5.594	70	40	GKIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2C(F)(F)F)c1	216722317	AJTOSWXZYWKLAY-HXUWFJFHSA-N	388.389	5.040	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1Cl)CC(C)(C)O2	218030475	KMYRTVPRGWUWQA-SFHVURJKSA-N	389.948	5.300	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218667278	BIQRJRYTGJOVIH-UTKZUKDTSA-N	395.543	5.478	70	40	GKIB	
CC[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(OC)c(OC)c1	218106214	GEZCFVFFWVDCKN-ICFXLVBESA-N	391.467	5.105	70	40	GKIB	
CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217993351	BXVWCHRAHYHGIA-SUMWQHHRSA-N	393.936	5.105	70	40	GKIB	
CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216730615	CNBCJFGLPWKPJC-NRFANRHFSA-N	386.417	5.594	70	40	GKIB	
Cc1c(Br)cc(S(F)(F)(F)(F)F)cc1S(=O)(=O)Cl	103625938	QOMVFNMNCGYXFX-UHFFFAOYSA-N	395.596	5.342	70	40	GKIB	
CCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218284809	AJYBBWRJTATHSC-OAHLLOKOSA-N	378.513	5.660	70	40	GKIB	
CCCCN(Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	218323886	QAOVIODZMKJBOG-QHCPKHFHSA-N	386.583	6.970	70	40	GKIB	
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1	216722365	AJTOSWXZYWKLAY-FQEVSTJZSA-N	388.389	5.040	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1cc3c(ccc4ccccc43)o1)CC(C)(C)O2	218499050	YPPWIDNPGSRULV-FQEVSTJZSA-N	385.463	5.927	70	40	GKIB	
COc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217998204	JSBFKXUQHCLXNL-UHFFFAOYSA-N	391.536	5.350	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	217988028	YQABMYRFKCNHDJ-MRXNPFEDSA-N	391.964	5.357	70	40	GKIB	
O=C(CCSc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1	218087614	KVAQSLZJSASNHM-UHFFFAOYSA-N	375.921	5.782	70	40	GKIB	
CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1	216730844	YJZFSOLPSPXRDD-NRFANRHFSA-N	397.316	5.338	70	40	GKIB	
O=C(NCc1cncc(-c2ccsc2)c1)Nc1ccc(Cl)c(Cl)c1	217691565	GFRQBEDMMGFKDD-UHFFFAOYSA-N	378.284	5.439	70	40	GKIB	
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)CC(C)(C)O2	217855970	VDZBMOPLSYWGHT-INIZCTEOSA-N	380.271	5.034	70	40	GKIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(C(C)(C)C)cc1	218544186	IGUSXEREPCGGIK-UHFFFAOYSA-N	397.544	5.077	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	217991127	JMHFVVAHTSSBQW-KDOFPFPSSA-N	389.948	5.548	70	40	GKIB	
Cc1cc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)cc(C)c1Cl	218709174	OLVNZNPLFBOLCF-OAHLLOKOSA-N	380.315	5.127	70	40	GKIB	
COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)c1	216724369	WVJKIELNAOBVIR-FQEVSTJZSA-N	388.389	5.040	70	40	GKIB	
CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	217955290	FNBXYNAKTISYFM-JLHYYAGUSA-N	395.890	5.017	70	40	GKIB	
O=C(NCCCN1CCCc2ccccc21)c1cc2c(ccc3ccccc32)o1	218502896	JIPUIZHIUPDAMR-UHFFFAOYSA-N	384.479	5.159	70	40	GKIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218665069	XTQDJJWEEKAMPY-OXQOHEQNSA-N	381.516	5.170	70	40	GKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)cc1	218210446	MZCQQYRSCSEWIP-FQEVSTJZSA-N	389.564	6.395	70	40	GKIB	
Cc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	216718912	QNYNMXBSIBNCAN-FQEVSTJZSA-N	383.289	5.084	70	40	GKIB	
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(OC2CCCC2)cc1	217905891	HOKGRIWNQDZLGF-WUXMJOGZSA-N	376.283	5.967	70	40	GKIB	
CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	217951415	MOBQGCZTVHJMLM-OBGWFSINSA-N	383.491	5.867	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218664614	RXPOGCYYPDTLGM-IBGZPJMESA-N	397.559	5.288	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)CC(C)(C)O2	218737034	GDJNYNJSHVTSDB-IBGZPJMESA-N	387.907	5.226	70	40	GKIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	216738111	QXYKIKBKORZKBS-OAQYLSRUSA-N	397.316	5.079	70	40	GKIB	
COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OC	218007773	LBBJXNHQQBYXPA-UHFFFAOYSA-N	391.092	5.385	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	218667625	RQNRNGJSNDULIF-UTKZUKDTSA-N	395.543	5.478	70	40	GKIB	
O=C(CSCc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1	218042519	RMQKBKALDJMIMQ-UHFFFAOYSA-N	375.921	5.533	70	40	GKIB	
CC1(C)C[C@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1	217906096	JZRTUJCEJDDIPX-VMSUTVGLSA-N	376.283	5.425	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217952283	DWHAIZJVMQHIRY-SAPNQHFASA-N	379.544	5.535	70	40	GKIB	
CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1C	218001746	YULJVKOFNOVWLS-XMMPIXPASA-N	389.564	6.477	70	40	GKIB	
Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	218137393	YFEOQPWSKNMRDI-QGZVFWFLSA-N	375.493	5.345	70	40	GKIB	
COc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1	218605341	OIEUYHRYBPILBQ-UHFFFAOYSA-N	391.536	5.350	70	40	GKIB	
Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1	216733109	UFAUMABIKPPFRL-LJQANCHMSA-N	376.353	5.171	70	40	GKIB	
COc1cc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc1OC(C)C	217950375	CCXXZPPOXRNXDQ-GXDHUFHOSA-N	381.516	5.110	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1	218092253	QQNLXKPFCDZXES-UHFFFAOYSA-N	375.965	5.695	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	217953436	VSRUUPRLOUANFK-OQHXPNFOSA-N	377.528	5.724	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)CC(C)(C)O2	218104951	ZEBLEOFZQBRPEA-GFCAVMEOSA-N	387.479	5.547	70	40	GKIB	
CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	218090218	YWQZBGGJMVKHRY-KRWDZBQOSA-N	393.936	5.107	70	40	GKIB	
CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C)c(C)c1	218608504	GJDZYQUNDJOFQY-QHCPKHFHSA-N	389.564	6.477	70	40	GKIB	
CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C)cc1C	218608614	MTXYWUWBUCPGLU-HSZRJFAPSA-N	389.564	6.477	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	217910032	PMGVFBMIGTZQDX-ZRDIBKRKSA-N	376.327	5.879	70	40	GKIB	
CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C)c(C)c1	218001629	VJDAWCLGHYXASQ-DEOSSOPVSA-N	389.564	6.477	70	40	GKIB	
O=C(NCCSc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)o1	218493987	CLRSTVICDIDNPM-UHFFFAOYSA-N	381.884	5.762	70	40	GKIB	
O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1ccco1)c1ccccc1	218095354	KXUZBLCNMJTWJN-RCCKNPSSSA-N	397.927	5.523	70	40	GKIB	
Cc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)c1	216716135	XEUQRNSPWNLFKG-HXUWFJFHSA-N	383.289	5.084	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccc(Cl)cc1	218089182	ANNKTVFIFSOXGA-GOSISDBHSA-N	389.948	5.549	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)CCSc2ccc(Cl)cc2)c1	218087308	MLFBVACJNTVOEU-UHFFFAOYSA-N	391.964	5.358	70	40	GKIB	
CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	216729978	HOZWQAFDGHNCIX-NRFANRHFSA-N	397.316	5.338	70	40	GKIB	
CC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	218542195	DTPXNTQKOPXQLA-FQEVSTJZSA-N	383.532	5.201	70	40	GKIB	
CCOc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC	218496103	XGGYSJMFKHNXPQ-UHFFFAOYSA-N	389.451	5.313	70	40	GKIB	
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1	217905602	QZKUOPZJCMTMDT-PKNBQFBNSA-N	392.326	5.543	70	40	GKIB	
Cc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)c1	216716186	XEUQRNSPWNLFKG-FQEVSTJZSA-N	383.289	5.084	70	40	GKIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	218665146	XTQDJJWEEKAMPY-OXJNMPFZSA-N	381.516	5.170	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1	217989052	JWIHEOCSRCBZDO-INIZCTEOSA-N	391.964	5.358	70	40	GKIB	
CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C)cc1C	218204533	OWNBOMLIKDVDKT-IBGZPJMESA-N	379.928	5.597	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(C(C)(C)C)cc1	218541053	DCOIYUAKAWNHTF-NRFANRHFSA-N	379.544	5.644	70	40	GKIB	
CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	218286252	IEQZQNAZXRYDRE-HXUWFJFHSA-N	396.575	6.705	70	40	GKIB	
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)c1	216725022	LJVUGRQMKRBCDK-HXUWFJFHSA-N	388.389	5.040	70	40	GKIB	
C=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccc(Cl)c(Cl)c1	104160778	PGJNWLZUGQBEIL-HXUWFJFHSA-N	375.235	5.085	70	40	GKIB	
COC(=O)c1c(C)n(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12	216955990	GYSFHGQUKVEIQD-UHFFFAOYSA-N	399.446	5.004	70	40	GKIB	
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)c1	217997556	UBWYCGPHDYPHTE-IBGZPJMESA-N	375.537	6.087	70	40	GKIB	
Fc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1	216732452	XHVDGAKIKWEFSI-LJQANCHMSA-N	376.353	5.171	70	40	GKIB	
CC(C)Oc1cccc(CNC(=O)c2ccccc2SCc2ccccc2)c1	218604173	ALXNNUCBDKXPBX-UHFFFAOYSA-N	391.536	5.696	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CCSc1ccc(Cl)cc1)CC(C)(C)O2	218088986	AQXDHTLWHJLFPC-GOSISDBHSA-N	389.948	5.549	70	40	GKIB	
CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	218286198	IEQZQNAZXRYDRE-FQEVSTJZSA-N	396.575	6.705	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218540934	MAOBZBIMDJIBKE-OAQYLSRUSA-N	379.544	5.644	70	40	GKIB	
CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OCC(C)C)cc12	217765897	JTXSEYJUCRCFDZ-UHFFFAOYSA-N	379.500	5.404	70	40	GKIB	
Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216733219	FRJYVQPPSMHXBM-LJQANCHMSA-N	376.353	5.171	70	40	GKIB	
Cc1ccc(OC[C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1	218155198	UVQUDYNKXUPSAI-CQSZACIVSA-N	398.355	5.119	70	40	GKIB	
O=C(NCCCc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1	218604888	SEYKDQBYHOLOMF-UHFFFAOYSA-N	395.955	5.995	70	40	GKIB	
CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C)cc1C	218204458	OWNBOMLIKDVDKT-LJQANCHMSA-N	379.928	5.597	70	40	GKIB	
CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216730572	CNBCJFGLPWKPJC-OAQYLSRUSA-N	386.417	5.594	70	40	GKIB	
CN1CCC(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)CC1	216900737	ILBVRXWRRIBJRV-UHFFFAOYSA-N	388.964	5.303	70	40	GKIB	
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216738833	IKVSVJWYDBXOMF-NRFANRHFSA-N	386.417	5.336	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218664571	RXPOGCYYPDTLGM-LJQANCHMSA-N	397.559	5.288	70	40	GKIB	
Cc1ccc(CSCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	218095147	LEODBFPSXWTOGE-CJLVFECKSA-N	377.509	5.178	70	40	GKIB	
Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2)cc1	218207223	FBLZCLOJLKZGID-HXUWFJFHSA-N	389.564	6.395	70	40	GKIB	
Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)c1	218604665	PGMGKVNBBPVDMN-IBGZPJMESA-N	375.537	6.087	70	40	GKIB	
CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C)c(C)c1	218204345	VCPDMDAVSLHLPA-IBGZPJMESA-N	379.928	5.597	70	40	GKIB	
CCCCN(Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218324071	HTPOKXUGCFMVTE-FQEVSTJZSA-N	396.575	6.705	70	40	GKIB	
CC1(C)C[C@H](NC(=O)CCSc2ccc(Cl)cc2)c2ccccc2O1	218087791	BINZBNFVGFYVBG-KRWDZBQOSA-N	375.921	5.241	70	40	GKIB	
Cc1ccc([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C	218156133	KKFMANJNVXZJCO-AWEZNQCLSA-N	382.356	5.721	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2	218667372	BIQRJRYTGJOVIH-DYESRHJHSA-N	395.543	5.478	70	40	GKIB	
Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc(C)c1Cl	218711392	FNKNZOMMDPHZHI-INIZCTEOSA-N	387.907	5.684	70	40	GKIB	
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)cc1Cl	217856142	KWFCWUHOUDBXKN-INIZCTEOSA-N	380.271	5.034	70	40	GKIB	
Cc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217998488	KVXQHGYDGQMLSR-UHFFFAOYSA-N	377.509	5.096	70	40	GKIB	
O=C(NCCCc1ccc(F)cc1)c1ccccc1SCc1ccccc1	218604986	ZDFIZTYZDALSRW-UHFFFAOYSA-N	379.500	5.481	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccc(Cl)cc1	218737231	MGCNPBWXKBHBBS-LJQANCHMSA-N	387.907	5.226	70	40	GKIB	
COc1ccccc1/C=C/C(=O)NCCSCc1ccc(Cl)c(Cl)c1	217963971	CRUIFGQZPWILNE-VQHVLOKHSA-N	396.339	5.065	70	40	GKIB	
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1	216738792	IKVSVJWYDBXOMF-OAQYLSRUSA-N	386.417	5.336	70	40	GKIB	
CC(C)Oc1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1	218035928	YPLGFMSYCFKFDU-UHFFFAOYSA-N	391.964	5.109	70	40	GKIB	
CCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	218284748	AJYBBWRJTATHSC-HNNXBMFYSA-N	378.513	5.660	70	40	GKIB	
CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1	216730800	YJZFSOLPSPXRDD-OAQYLSRUSA-N	397.316	5.338	70	40	GKIB	
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1	216722431	XFTLASSKKFYPCP-HXUWFJFHSA-N	388.389	5.040	70	40	GKIB	
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1SCc1ccccc1	218606804	RZJASDKYCFWLDP-LJQANCHMSA-N	391.536	5.485	70	40	GKIB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	218664886	HTSGBQSGCAZSFR-QGZVFWFLSA-N	381.516	5.712	70	40	GKIB	
CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C)cc1C	218608686	MTXYWUWBUCPGLU-QHCPKHFHSA-N	389.564	6.477	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1Cl	218030708	WAPCVCNTGALJSE-GOSISDBHSA-N	389.948	5.300	70	40	GKIB	
CCCOc1ccccc1CCCNC(=O)CCc1ccc(C(C)(C)C)cc1	218540040	VDEXMVGMQCNAEW-UHFFFAOYSA-N	381.560	5.455	70	40	GKIB	
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	217999957	IXXKOKMLSSRZEK-LJQANCHMSA-N	391.536	5.485	70	40	GKIB	
CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	218672331	JIAGSRXSAGPHRH-LJQANCHMSA-N	381.560	5.624	70	40	GKIB	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2	217990790	NKCSAWDTNRXMLQ-KDOFPFPSSA-N	389.948	5.548	70	40	GKIB	
COc1cc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)ccc1OC(C)C	218538175	VRLPAYMLIRHCFG-UHFFFAOYSA-N	383.532	5.029	70	40	GKIB	
CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	216729932	HOZWQAFDGHNCIX-OAQYLSRUSA-N	397.316	5.338	70	40	GKIB	
Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc(C)c1Cl	218718980	KQCQGWDHHIBWFY-SFHVURJKSA-N	387.951	5.597	70	40	GKIB	
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(OC2CCCC2)cc1	217835478	MKZCDJGOCLNIHE-UHFFFAOYSA-N	380.271	5.332	70	40	GKIB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	218664956	HTSGBQSGCAZSFR-KRWDZBQOSA-N	381.516	5.712	70	40	GKIB	
CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	216729703	VFAIHMFDGRDBMP-OAQYLSRUSA-N	397.316	5.338	70	40	GKIB	
CN1CCC(Oc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1	216943164	HTYGENBDCNGSPV-UHFFFAOYSA-N	394.559	5.028	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2c(ccc3ccccc32)o1	218499295	NWOBSZMVZNLSNS-HXUWFJFHSA-N	385.463	5.927	70	40	GKIB	
CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	217993428	BXVWCHRAHYHGIA-GUYCJALGSA-N	393.936	5.105	70	40	GKIB	
Cc1ccc(OC[C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1	218155237	UVQUDYNKXUPSAI-AWEZNQCLSA-N	398.355	5.119	70	40	GKIB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccc(Cl)cc1	217991374	JMHFVVAHTSSBQW-KBXCAEBGSA-N	389.948	5.548	70	40	GKIB	
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)c1	216740632	SIWZWGKNKLLFBW-OAQYLSRUSA-N	397.316	5.079	70	40	GKIB	
Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1	216720036	MRWDLRSLBBSLGN-FQEVSTJZSA-N	383.289	5.084	70	40	GKIB	
Cc1ccc2c(c1)[C@H](NC(=O)c1cc3c(ccc4ccccc43)o1)CC(C)(C)O2	218499122	YPPWIDNPGSRULV-HXUWFJFHSA-N	385.463	5.927	70	40	GKIB	
Cc1cc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Cl	218711986	DVFDKVYSWCCRDS-QAPCUYQASA-N	387.907	5.143	70	40	GKIB