smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1cccc(Cl)c1Cl	217281110	KFBPIYFYOOXTDO-UHFFFAOYSA-N	432.307	5.566	70	10	IKIE	
CN[C@@H](c1ccc(C)cc1Br)c1csc2c(Br)cccc12	161048797	BLUDJVMHWXWTJG-INIZCTEOSA-N	425.189	6.044	70	10	IKIE	
Cc1cc(Cl)c(NC(=O)c2cc(Br)ccc2Br)cc1Cl	160670670	RBXPNFQIZQMNCM-UHFFFAOYSA-N	437.946	6.079	70	10	IKIE	
CC[C@@H]1CCCCN1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298593	LZWXSTNOMJMHBI-QGZVFWFLSA-N	425.411	5.490	70	10	IKIE	
CCOc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(C)C	217064877	HYFIULUDIAWYKG-HYBUGGRVSA-N	442.003	5.296	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)N[C@H](C)Oc4ccccc4C(C)C)cc3)sc2c1	217292361	CLMDVGQEFXWJER-SFHVURJKSA-N	445.588	6.942	70	10	IKIE	
C[C@@H](CS(=O)(=O)Cl)c1nc(Cl)c(Cl)c(NC(=O)OC(C)(C)C)c1Cl	1952985397	FJDRSGXPWBFWDV-LURJTMIESA-N	438.160	5.061	70	10	IKIE	
CCCN[C@@H](Cc1ccc(F)cc1Br)c1cc(C)c(Br)s1	161316505	CTZGXJQLDAEIQP-AWEZNQCLSA-N	435.200	6.004	70	10	IKIE	
O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281440	WTVWVEAOJLNPQP-UHFFFAOYSA-N	431.414	5.278	70	10	IKIE	
CCCN[C@@H](c1ccc(Br)cc1OC)c1sc(C)cc1Br	160649591	DCBWWDBOTRJTQE-HNNXBMFYSA-N	433.209	5.679	70	10	IKIE	
CCCN[C@@H](c1cc(Cl)c(Br)s1)c1c(F)cccc1Br	160862217	BJTFUXXEHHGWCQ-ZDUSSCGKSA-N	441.591	6.155	70	10	IKIE	
CCCCc1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1	217298845	JBJZDWOZXXNOBO-UHFFFAOYSA-N	439.781	6.036	70	10	IKIE	
O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(=O)c2ccsc2)s1	217293472	KDZZRNBQZRWBTH-UHFFFAOYSA-N	426.346	5.043	70	10	IKIE	
CCOc1ccc(OCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1	217307608	PRLQTGQFYJOTDK-UHFFFAOYSA-N	433.533	5.828	70	10	IKIE	
C[C@H]1Cc2ccccc2N1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298702	GNZUHJMAKSYIBP-INIZCTEOSA-N	445.401	5.676	70	10	IKIE	
Cc1cc(C)c(NC(=O)NCCCOc2ccc(Br)cc2Cl)c(C)c1	217298923	SYLYLZQBZUNODG-UHFFFAOYSA-N	425.754	5.618	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(N3CCCCC3)cc2)cc(OCC)c1OCC	217274900	FVFRTJDMMAJFQZ-UHFFFAOYSA-N	427.545	5.517	70	10	IKIE	
CC(C)(C)CCCOC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2156353522	BROHHRKCVCVIPR-UHFFFAOYSA-N	430.975	5.238	70	10	IKIE	
O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281377	UACLTGCWOSPEMO-UHFFFAOYSA-N	432.307	5.566	70	10	IKIE	
CCCCOCCCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298461	YJNNWMZJLHIOCT-UHFFFAOYSA-N	443.426	5.022	70	10	IKIE	
COc1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298555	KNTDLGWGIWZGNX-UHFFFAOYSA-N	435.362	5.346	70	10	IKIE	
C[C@H](N(Cc1ccccc1)C(=O)c1c(Cl)cccc1S(=O)(=O)Cl)C(C)(C)C	2152228517	XXKUZWLUQMUDCE-AWEZNQCLSA-N	428.381	5.345	70	10	IKIE	
FC(F)(F)C(/N=N/c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	104633246	LTIGMDWXTQYVHX-NVQSTNCTSA-N	448.428	6.457	70	10	IKIE	
Nc1onc(-c2cc(Br)ccc2Br)c1-c1ccccc1Cl	160786375	AUEHXNTUXHOUSR-UHFFFAOYSA-N	428.511	5.769	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)N[C@@H](C)Oc4ccc(C(C)C)cc4)cc3)sc2c1	217296480	MZBVKNXIVFEPJK-GOSISDBHSA-N	445.588	6.942	70	10	IKIE	
O=C(NCc1ccc(C(=O)c2ccsc2)s1)NC(c1ccccc1)c1ccccc1	217293965	FKNYXUCDEGWDIK-UHFFFAOYSA-N	432.570	5.629	70	10	IKIE	
C[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Oc1ccc(Cl)cc1	217294551	JBCAALSTSZKVRW-HXUWFJFHSA-N	449.982	5.182	70	10	IKIE	
C=CCCCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	236020499	LLVYYCVOTBMGJY-UHFFFAOYSA-N	446.588	5.264	70	10	IKIE	
Clc1ccc(COc2cccc([C@H]3NN=C4CCN(Cc5ccccc5)C[C@H]43)c2)cc1	217066532	PVGAICSYSFOOIR-AOYPEHQESA-N	431.967	5.441	70	10	IKIE	
N#Cc1ccc(C(Br)Br)c(C(Br)Br)c1	137271075	GDPUPOWDNZBAQE-UHFFFAOYSA-N	446.762	5.135	70	10	IKIE	
CN[C@H](Cc1ccc(Br)s1)c1ccc2cc(Br)ccc2c1	160802549	PXZIJUWVASQFMB-MRXNPFEDSA-N	425.189	5.930	70	10	IKIE	
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Br)ccc1Br	160381104	HEWUSQJCLBLETP-MRVPVSSYSA-N	429.074	5.015	70	10	IKIE	
Cc1cc(O)ccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298481	AYDVRMKZJNJUSS-UHFFFAOYSA-N	435.362	5.351	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccnc2Cl)c(Br)c1	217298561	MPVQNZMMTKYKOV-UHFFFAOYSA-N	440.769	5.386	70	10	IKIE	
Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCCC(C)C)cc1Br	159575019	IRRHQVHTMHXCSP-LBPRGKRZSA-N	441.229	5.013	70	10	IKIE	
CN[C@@H](CSc1cccc(Br)c1)c1c(Br)cnn1C(C)C	160782483	WWXIEMGZAZWSEP-AWEZNQCLSA-N	433.213	5.042	70	10	IKIE	
CC(C)c1nc(C(C)C)c(C(C)(C)C)c(-c2ccc(F)cc2)c1C(=O)CO[SiH](C)C	306147496	ZMBMLENWMNUMKK-UHFFFAOYSA-N	429.652	6.615	70	10	IKIE	
CN[C@H](CSc1ccc(Br)cc1)c1c(Br)cnn1C(C)C	160692539	MFIAKCNWQXRXGB-CQSZACIVSA-N	433.213	5.042	70	10	IKIE	
CC(C)c1ccc(NC(=O)c2cc(Br)ccc2I)cc1	217507372	DUMNCWSAQMFRNN-UHFFFAOYSA-N	444.110	5.429	70	10	IKIE	
CCN[C@@H](Cc1ccc(Cl)cc1Cl)c1csc(I)c1	160488880	CMROMIVMSVGRBO-ZDUSSCGKSA-N	426.150	5.553	70	10	IKIE	
CN[C@H](c1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	159743104	WAYDKQRMDZVFRI-LBPRGKRZSA-N	429.099	5.601	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Cl)c1cc(Br)ccc1Br	160595069	JYSRCELHEBPZBI-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
COc1cc(Cl)c(C(=O)c2cc(Br)ccc2Br)cc1Cl	159787673	LGTURCLTFJQIMB-UHFFFAOYSA-N	438.930	5.758	70	10	IKIE	
Cc1cc(Br)c([C@H](N)c2cc(C(F)(F)F)ccc2Br)s1	159749890	VEJBKRRXLXNSNL-LLVKDONJSA-N	429.099	5.648	70	10	IKIE	
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281101	BMGIJCAWHIRFST-UHFFFAOYSA-N	432.307	5.566	70	10	IKIE	
Cc1cc([C@@H](N)c2cc(Br)ccc2Br)c(C)cc1Br	159869666	UVBXVSNWLPICDY-OAHLLOKOSA-N	447.996	5.639	70	10	IKIE	
C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(Br)ccc1Br	160387593	IGOWGDNICCOBKG-SNVBAGLBSA-N	431.555	5.698	70	10	IKIE	
CCCN[C@H](c1ccc(Br)cc1OC)c1sc(C)cc1Br	160649727	DCBWWDBOTRJTQE-OAHLLOKOSA-N	433.209	5.679	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)c(OCC2CCCCC2)c(Br)c1	59148222	VPMXUGLLPFGVAK-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
C[C@@H]1Cc2ccccc2N1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298701	GNZUHJMAKSYIBP-MRXNPFEDSA-N	445.401	5.676	70	10	IKIE	
O=C(c1cc(Cl)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)CC1CCCC1	2152153665	TTYHDHROJIAYNH-UHFFFAOYSA-N	426.365	5.100	70	10	IKIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCC(Br)=C(C)C	2365689873	JLIDFRIMCPSLQI-UHFFFAOYSA-N	446.588	5.007	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2cc(F)ccc2Br)c(Br)c1	160233352	BMQCJDFWHLHWFF-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
CCN[C@H](c1ccc(OC)c(Cl)c1)c1cc(Br)ccc1Br	159830194	GAVZMHGMDMMFQC-MRXNPFEDSA-N	433.571	5.573	70	10	IKIE	
COc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298436	OSTNSBRSMUOWPG-UHFFFAOYSA-N	435.362	5.346	70	10	IKIE	
CCCN[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1	160518429	DMGSDNLWHCGKNW-QGZVFWFLSA-N	434.148	5.881	70	10	IKIE	
O=C(NCc1cc(Br)cs1)c1ccc2cc(Br)ccc2c1	159590913	OGVRLCUHDXYFSF-UHFFFAOYSA-N	425.145	5.356	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1ccc(Br)c(Cl)c1	160208282	MOAPGLWSQQMBCS-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CCCN[C@@H](c1cc(OC)cs1)c1cc(Br)sc1Br	161507258	UDZSSJYRMLXSFK-GFCCVEGCSA-N	425.211	5.432	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NCc1ccccc1Cl	217298869	WPWMPBOOACMJGG-UHFFFAOYSA-N	432.145	5.024	70	10	IKIE	
O=C(NCCCCc1ccccc1)NCCCOc1ccc(Br)cc1Cl	217299208	HDIYOACIXBRPAF-UHFFFAOYSA-N	439.781	5.194	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	88270462	XKVGDJJXICIEPO-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1Oc1ccccc1	217529382	XLEDFXWRZDWJNJ-UHFFFAOYSA-N	429.442	5.003	70	10	IKIE	
C=Cc1ccc(B2N(c3ccccc3)B(C)N(c3ccccc3)B(C)N2c2ccccc2)cc1	196986705	KVXOSHAMBJZJSC-UHFFFAOYSA-N	438.989	5.794	70	10	IKIE	
Cc1cc(Br)c([C@@H](N)c2cc(C(F)(F)F)ccc2Br)s1	159750021	VEJBKRRXLXNSNL-NSHDSACASA-N	429.099	5.648	70	10	IKIE	
CN[C@@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)s1	160494588	NWIQHGWZQCDGLC-NSHDSACASA-N	444.019	6.083	70	10	IKIE	
CN[C@@H](Cc1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	160775116	CDNQRSASHLDAFA-LBPRGKRZSA-N	443.126	5.795	70	10	IKIE	
O=C(Nc1ccccc1I)N(Cc1ccccc1)c1ccccc1	217272986	VFSFXYMCKBBKIX-UHFFFAOYSA-N	428.273	5.530	70	10	IKIE	
c1ccc(CCCOc2ccc([C@@H]3NN=C4CCN(Cc5ccccc5)C[C@H]43)cc2)cc1	217068522	FDHCUWRATQYYPY-IAPPQJPRSA-N	425.576	5.221	70	10	IKIE	
O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217276031	JSDFQEKQUJCZGG-UHFFFAOYSA-N	443.635	5.320	70	10	IKIE	
Cc1sc(-c2ccc(Cl)c(Br)c2)nc1-c1ccc(Br)cc1	159381288	OPGFHJIBBOCJNF-UHFFFAOYSA-N	443.591	6.964	70	10	IKIE	
Cc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1Br	2295818484	MDAVQHSLWALDNN-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
CC(C)C1=C(CO)C(c2ccc(F)cc2)=C(C(C)(C)C)[C@H](C(C)C)N1CO[SiH](C)C	201097088	WLWVOOBEXDVXNE-DEOSSOPVSA-N	433.684	5.826	70	10	IKIE	
CCCCCCCCCCCC(=O)Oc1cc(S(=O)(=O)Cl)ccc1NC(C)=O	206834323	QGFXOBNORFBNTN-UHFFFAOYSA-N	431.982	5.399	70	10	IKIE	
Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)cc1Br	394756924	BKSFGPABSPLMAZ-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
CC(C)(C)OC(=O)N(CCCC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1)Cc1ccccc1	1990260479	BIUFDXKGTDAAIA-AVRDEDQJSA-N	439.307	5.044	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(C)c(C)c3)cc2)cc1	216637131	KNDDTOBTRFBHNO-UHFFFAOYSA-N	446.503	5.021	70	10	IKIE	
O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281086	WVMYRLYVKCJYSU-UHFFFAOYSA-N	442.313	5.022	70	10	IKIE	
C[C@@H]1C[C@@H](C)CN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)C1	217298562	YXMFUDMRPPVUOB-HZPDHXFCSA-N	425.411	5.203	70	10	IKIE	
Fc1cc(CNc2c(Cl)cc(Br)cc2Cl)ccc1Br	161253061	ZZUCTSBBKVQBRK-UHFFFAOYSA-N	427.926	6.270	70	10	IKIE	
CCN[C@@H](c1ccc(C(C)(C)C)s1)c1cc(Br)ccc1Br	159897834	GHMHHTZBTDNFNC-MRXNPFEDSA-N	431.237	6.270	70	10	IKIE	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1-c1cn2ccsc2n1	218556727	BKJHJKRCKUNBGA-UHFFFAOYSA-N	434.908	5.932	70	10	IKIE	
N[C@@H](c1cc(Br)ccc1Br)c1ccc(Cl)c2ccccc12	159882394	MIADEEIHQWEJRD-QGZVFWFLSA-N	425.551	6.066	70	10	IKIE	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1cccs1)C1CCOCC1	217290742	XLVLHPZTLSNKKJ-UHFFFAOYSA-N	437.405	5.607	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)N[C@H](C)Oc1ccccc1C(C)C	217292023	MFDAWBSEBOPTDQ-AWEZNQCLSA-N	438.309	5.270	70	10	IKIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	217292737	LZGIKVKLKWGLAL-UHFFFAOYSA-N	447.356	5.540	70	10	IKIE	
CCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(C)c1	217281412	CZQWTDOJIGXXJH-UHFFFAOYSA-N	448.567	5.414	70	10	IKIE	
Cc1c(S)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F	1887505949	BJRUAJQOIOXKJD-UHFFFAOYSA-N	442.291	5.377	70	10	IKIE	
CN(C)c1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1Br	160345048	BIQDLPYHRYDUEH-UHFFFAOYSA-N	432.543	5.183	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cccc2c(O)cccc12	217298891	IXTFZMNPGWKADI-UHFFFAOYSA-N	449.732	5.552	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1ccc(Br)cc1Cl	161308842	LWVPFZBVCRHDLC-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Br)ccc1Br	160259261	GPVCATCNDAQOGC-UHFFFAOYSA-N	435.518	5.276	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)cc1Cl	59148079	KFMLTFSRZUCOCH-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)ccc1Br	160369942	JHVZDKGMUZUUES-UHFFFAOYSA-N	437.584	5.589	70	10	IKIE	
O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccccc1Oc1ccccc1	217454377	PYEDAFNZNYBIFV-UHFFFAOYSA-N	438.531	5.046	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccc(Br)cc2)cc1	217299612	UITZITUXBUQNMS-UHFFFAOYSA-N	433.390	5.057	70	10	IKIE	
O=C(N[C@H](c1ccccc1)C1(CS(=O)(=O)Cl)CCCCC1)OCc1ccccc1	757174871	CUIIPBGEQFDYHQ-HXUWFJFHSA-N	435.973	5.173	70	10	IKIE	
CCN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1Br	160388390	JWGSTRNIYPNEPZ-UHFFFAOYSA-N	431.555	5.527	70	10	IKIE	
CC(C)=C(C)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	718649192	ZMFRMCSLTWUORV-UHFFFAOYSA-N	446.588	5.264	70	10	IKIE	
CN(C)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298646	FNDCAAFDSPNNNO-UHFFFAOYSA-N	448.405	5.403	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1cccc(I)c1	161405351	HNKJGFVCYPHBOG-INIZCTEOSA-N	448.117	5.086	70	10	IKIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2C1=O	217279340	NNLUEIUMUTVVQO-UHFFFAOYSA-N	425.794	5.007	70	10	IKIE	
CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)c1ccc2c(c1)CCCC2	217280354	MDXVALKMOBRVCQ-JOCHJYFZSA-N	433.552	5.233	70	10	IKIE	
C[C@H](CS(=O)(=O)Cl)c1nc(Cl)c(Cl)c(NC(=O)OC(C)(C)C)c1Cl	1952985398	FJDRSGXPWBFWDV-ZCFIWIBFSA-N	438.160	5.061	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccccc3Sc3ccccc3)cc2C1=O	217279559	AXNYDDVKQOPWHX-UHFFFAOYSA-N	445.544	5.734	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(Cl)cc1[C@@H](CS(=O)(=O)Cl)C1CC1	1952687216	SFHNCGUVKSOYTQ-LBPRGKRZSA-N	428.765	5.403	70	10	IKIE	
CCN[C@@H](c1cc(Br)sc1Br)C1C2CC3CC(C2)CC1C3	160137741	ONYWESJVKCXBSD-IISVTJJBSA-N	433.253	5.996	70	10	IKIE	
CCC[C@H](CC)COC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2381871124	FJJKTOAEFCTLQE-AWEZNQCLSA-N	430.975	5.238	70	10	IKIE	
COc1cccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)c1OCc1cccc(C)c1	217065077	ZSNBTKUFKUSVAV-SHQCIBLASA-N	441.575	5.105	70	10	IKIE	
Nc1noc(-c2cc(Br)ccc2Br)c1-c1cccc(Cl)c1	161307498	XEGGSPUXIMDFHP-UHFFFAOYSA-N	428.511	5.769	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1ccccc1I	161382443	VLSAFJWYHNLDOH-INIZCTEOSA-N	448.117	5.086	70	10	IKIE	
CCOc1cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc(OCC)c1OCC	217274766	SOFIIWXHVCLKRN-UHFFFAOYSA-N	448.563	6.117	70	10	IKIE	
COc1ccc([C@H](N)c2cc(Br)ccc2Br)c(Br)c1	159851822	KSJUATGDOXBZEJ-AWEZNQCLSA-N	449.968	5.031	70	10	IKIE	
COc1ccc(-c2c(OS(=O)(=O)C(F)(F)F)ccc3c2CC/C=C(/C)CCO3)cc1	203766023	RREXBZIVAVQUEV-CPSFFCFKSA-N	442.455	5.252	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3c(c2)OCO3)c(Br)c1	217298710	ZWXIHXDGBVQWSM-UHFFFAOYSA-N	449.345	5.066	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cccc2ccccc12	217299060	LVULWFRFIHHVFR-UHFFFAOYSA-N	433.733	5.846	70	10	IKIE	
CC(C)(C)c1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217299088	IQOQUXVOACPBSB-UHFFFAOYSA-N	439.781	5.991	70	10	IKIE	
CCN[C@@H](c1ccc(OC)c(Cl)c1)c1cc(Br)ccc1Br	159830075	GAVZMHGMDMMFQC-INIZCTEOSA-N	433.571	5.573	70	10	IKIE	
O=C(Nc1ccccc1I)NC1CCCCCCCCCCC1	217272869	ASAHRTQBBUMHSE-UHFFFAOYSA-N	428.358	6.086	70	10	IKIE	
CCCN[C@H](Cc1cc(F)ccc1Br)c1cc(C)c(Br)s1	161489307	MGJNLVVOOHJQHF-CQSZACIVSA-N	435.200	6.004	70	10	IKIE	
C[C@@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@H]2O	148258812	FRPJXPJMRWBBIH-IUHILOBXSA-N	440.411	5.182	70	10	IKIE	
C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(Br)ccc1Br	160387462	IGOWGDNICCOBKG-JTQLQIEISA-N	431.555	5.698	70	10	IKIE	
COc1cc(NC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc(OC)c1	218675593	XHZRTYOWPIMJNC-UHFFFAOYSA-N	449.507	6.277	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1cccc(I)c1	161405468	HNKJGFVCYPHBOG-MRXNPFEDSA-N	448.117	5.086	70	10	IKIE	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Br)ccc1Br	160384347	FTQVFBBFCQXDHS-JTQLQIEISA-N	431.555	5.698	70	10	IKIE	
CCOc1cc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc(OCC)c1OCC	217288830	ZUKAQCCJLNORND-IBGZPJMESA-N	429.532	5.432	70	10	IKIE	
CCN[C@H](c1cc(C)c(F)cc1Cl)c1cc(Br)ccc1Br	159891029	YLXBDXBXZXUUHC-INIZCTEOSA-N	435.562	6.011	70	10	IKIE	
Cc1cc(Cl)ccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217299011	VNVFSFRACNLXEN-UHFFFAOYSA-N	432.145	5.655	70	10	IKIE	
CCN[C@H](Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl	161481707	PTKWRMYAVWHJAB-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2Sc2ccccc2)cc1	217299350	NIVFNKPKKHEBRZ-UHFFFAOYSA-N	434.605	6.726	70	10	IKIE	
Cc1sc(-c2ccc(Cl)c(Br)c2)nc1-c1cccc(Br)c1	159381144	BCZXURVKSKATII-UHFFFAOYSA-N	443.591	6.964	70	10	IKIE	
CCN(Cc1ccccc1)C(=O)NCCCOc1ccc(Br)cc1Cl	217299002	WWPGOLPLONRVPA-UHFFFAOYSA-N	425.754	5.103	70	10	IKIE	
COc1ccc(CCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC	217308060	JIQLCHZYDZNXJX-UHFFFAOYSA-N	447.560	5.653	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2ccccc2Br)cc1Cl	59093489	PZIMUIDMFMZBGS-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
O=C(NCOc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217297375	XGVAJWMJNUOGBE-UHFFFAOYSA-N	447.162	6.189	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)N2CCc3ccccc3C2)c(Br)c1	217298617	XVICBECJLRMFJQ-UHFFFAOYSA-N	445.401	5.283	70	10	IKIE	
CCOc1ccccc1OCNC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	217289789	GUKKUUOEXIQTBB-UHFFFAOYSA-N	433.533	5.828	70	10	IKIE	
CN[C@@H](c1cc(Br)c(Br)s1)c1c(C)ccc2ccccc12	160897956	ZTRUHKCFYZJYAV-INIZCTEOSA-N	425.189	6.044	70	10	IKIE	
COc1ccc(CNC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1	218675385	JDMXMJNLFZFYKL-UHFFFAOYSA-N	433.508	5.947	70	10	IKIE	
O=C(N/C=C/c1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	218013370	LTSDRECSKLAEPN-CCEZHUSRSA-N	431.967	5.428	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccc(F)cc2)c(Br)c1	217298684	APQHKWMTMOJLQQ-UHFFFAOYSA-N	437.353	5.154	70	10	IKIE	
O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(Oc2ccccc2)cc1	217454494	MMDGCIMFGAIRCY-UHFFFAOYSA-N	438.531	5.046	70	10	IKIE	
CCCN[C@H](c1cc(Br)c(Br)s1)c1cccc(C)c1Cl	160322845	CHXJUEGWLRAIGF-AWEZNQCLSA-N	437.628	6.324	70	10	IKIE	
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(=O)c2ccsc2)s1	217293502	NFMGTCMXWHOOLE-UHFFFAOYSA-N	442.949	5.587	70	10	IKIE	
CCN[C@@H](c1ccc(Br)o1)c1cc(C(F)(F)F)ccc1Br	159752677	GLUUBTZCVURNLE-CYBMUJFWSA-N	427.058	5.522	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CC3CCCCC3)cc2)cc1	216642814	LBGSQTHUOBASCN-UHFFFAOYSA-N	438.524	5.061	70	10	IKIE	
C[C@H]1C[C@@H](C)CN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)C1	217298563	YXMFUDMRPPVUOB-IYBDPMFKSA-N	425.411	5.203	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)sc2c1	217272652	UXUXEISRDIFBKH-UHFFFAOYSA-N	438.350	6.678	70	10	IKIE	
CCN[C@@H](c1ccc2cc(Br)ccc2c1)c1ccc(Br)s1	159572248	LYUYRKBSESYHIQ-KRWDZBQOSA-N	425.189	6.125	70	10	IKIE	
COc1ccc(-c2ccc3nc(NC(=O)c4ccc5ccccc5c4)sc3c2)c(OC)c1	217460263	NOHHPBXZGBLEOR-UHFFFAOYSA-N	440.524	6.386	70	10	IKIE	
Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(S)cc1[B-](F)(F)F	1887519032	IQLYZVXQFVXCTG-UHFFFAOYSA-N	442.291	5.377	70	10	IKIE	
CCOc1ccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2)cc1OCC	217299494	GDBGQGRPHLYBPZ-UHFFFAOYSA-N	442.600	5.092	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c([C@@H](CS(=O)(=O)Cl)C2CC2)cccc1C(F)(F)F	1952690438	UMPABUIJUGQQPJ-LBPRGKRZSA-N	427.872	5.115	70	10	IKIE	
Cc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1C	217298589	LNUMYDOPGPJGLQ-UHFFFAOYSA-N	433.390	5.954	70	10	IKIE	
CN[C@@H](c1ccc2cc(Br)ccc2c1)c1sc(C)cc1Br	159577587	XVBJYPIUGOLUOO-INIZCTEOSA-N	425.189	6.044	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1cccc(Cl)c1	217299195	FNZBEBSSCLEPNF-UHFFFAOYSA-N	446.172	5.067	70	10	IKIE	
Cc1ccccc1CNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298768	GJFHKYKEJPUYER-UHFFFAOYSA-N	433.390	5.323	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)cn2)c(Br)c1	217298793	GACXFTZKZAXUFP-UHFFFAOYSA-N	440.769	5.386	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	217299355	FUXJBGYZLHYWIX-UHFFFAOYSA-N	428.882	6.247	70	10	IKIE	
O=C(OC1CCCCCC1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2156354422	JDHOUDNWLIOCCG-UHFFFAOYSA-N	428.959	5.134	70	10	IKIE	
N[C@@H](Cc1ccc(OC(F)(F)F)cc1)c1cc(Br)c(Br)s1	161452646	PCLKACVDVXAJIS-JTQLQIEISA-N	445.098	5.414	70	10	IKIE	
Cc1ccc(OCCCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1	217297956	LHUWQHWNOKENRI-UHFFFAOYSA-N	431.561	6.171	70	10	IKIE	
CCN[C@H](c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1	161157526	VSZVLGPMVUVLKH-AWEZNQCLSA-N	449.208	6.326	70	10	IKIE	
C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1	1887522483	KECPIWGSWFSLFE-UHFFFAOYSA-N	434.246	5.069	70	10	IKIE	
Cc1nc(-c2ccccc2NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cs1	218601884	VNDKJJJFLXBLAX-UHFFFAOYSA-N	430.558	6.055	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	59211502	VPDASFRFGYKHEC-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1ccccc1I	160335149	WEKKXVMHLCZKOI-MRXNPFEDSA-N	448.117	5.086	70	10	IKIE	
CCCCCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	59093629	ASUGWCAJMCUHBQ-UHFFFAOYSA-N	448.604	5.488	70	10	IKIE	
CCN[C@H](c1ccc(OC)cc1Cl)c1cc(Br)ccc1Br	159850333	WORKNPJHKWVPSA-MRXNPFEDSA-N	433.571	5.573	70	10	IKIE	
CC(C)c1ccccc1O[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217292299	ZWDJAVUPPPGTMX-LBPRGKRZSA-N	434.380	6.394	70	10	IKIE	
O=S(=O)(Cl)CCCCCCCOc1c(Br)cccc1Br	2294696972	OHYJEXOOIZHYPD-UHFFFAOYSA-N	448.604	5.110	70	10	IKIE	
C[C@@H](N(Cc1ccccc1)C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1)C(C)(C)C	2152227406	KXWOTCQDCHZFGC-CQSZACIVSA-N	428.381	5.345	70	10	IKIE	
Cc1noc(C)c1S(=O)(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218672085	LDOLNOIJGAMEMM-UHFFFAOYSA-N	429.498	5.022	70	10	IKIE	
CCNCc1sc(-c2ncc(Br)cc2Br)nc1CC(C)C	159787525	ZPIKXYMBBYNRAU-UHFFFAOYSA-N	433.213	5.038	70	10	IKIE	
CC(C)=C(CSc1cc(I)ccc1Br)[B-](F)(F)F	2301869733	RBTFNSUAIDSXCL-UHFFFAOYSA-N	449.890	5.869	70	10	IKIE	
CCOc1c(Br)cc(Br)cc1CN[C@@H](C)CCSCC	159972356	SLPJKNGNOICCJT-NSHDSACASA-N	425.230	5.232	70	10	IKIE	
CCCN[C@@H](c1cc(C)c(Br)s1)c1ccc(Br)cc1OC	160653165	DKMZXFBBEQCVPX-OAHLLOKOSA-N	433.209	5.679	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc2ccccc2c1	217299063	KPSWDDDTRGMSIC-UHFFFAOYSA-N	433.733	5.846	70	10	IKIE	
COc1ccc(CNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC	217313463	XKQRWONJQLZGIA-UHFFFAOYSA-N	433.533	5.611	70	10	IKIE	
CN[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(C)c(Br)s1	159579287	JPDLRNJNUXGHNS-INIZCTEOSA-N	425.189	6.044	70	10	IKIE	
Cc1ccc(C(=O)CCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1	217281928	FKRSOGZLRKTFKD-UHFFFAOYSA-N	429.545	5.975	70	10	IKIE	
N#CC(C(=S)Nc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	169658813	IZRAVTCJKWEUFE-UHFFFAOYSA-N	436.520	5.116	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1Cl	2368344787	CODSIFPRFKBNGK-KRWDZBQOSA-N	440.078	5.794	70	10	IKIE	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCCCOc2ccc(Br)cc2Cl)C1	217299072	LMEQLDUQYWKJQT-MGPUTAFESA-N	443.813	5.482	70	10	IKIE	
CC(C)NCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1	159542587	SVHREKBNEKOXML-UHFFFAOYSA-N	431.197	5.106	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)NC(c1ccccc1)c1ccccc1	217269741	BNOLPQXOAZIHMU-UHFFFAOYSA-N	442.300	5.511	70	10	IKIE	
CCN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1cccc(C)c1	217298730	JKGILROIWUYTTK-UHFFFAOYSA-N	447.417	6.060	70	10	IKIE	
COc1ccc(Br)cc1[C@@H](N)c1cc(Br)ccc1Br	159808183	AXLLAOMYFAWVQJ-AWEZNQCLSA-N	449.968	5.031	70	10	IKIE	
COc1cc(Cl)c([C@H](O)c2cc(Br)ccc2Br)cc1Cl	161055014	GETAXZUEKUGSOS-CQSZACIVSA-N	440.946	5.609	70	10	IKIE	
CCCN[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1I	160433530	GBXKOSIUKFMVHO-QGZVFWFLSA-N	434.148	5.881	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1cccc(Br)c1Cl	161383432	DHZYLRCMYKUODQ-HNNXBMFYSA-N	435.562	5.897	70	10	IKIE	
CC(C)COc1c(Cl)cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217066402	WZASCCIFJRFHEO-XMSQKQJNSA-N	432.395	5.551	70	10	IKIE	
C[C@H]1C[C@H](C)CN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)C1	217298564	YXMFUDMRPPVUOB-HOTGVXAUSA-N	425.411	5.203	70	10	IKIE	
CCOc1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298692	YJBCONKQRPXFOG-UHFFFAOYSA-N	449.389	5.736	70	10	IKIE	
CCCN[C@H](Cc1ccc(CC)s1)c1cc(Br)ccc1Br	161151664	KXYTVYGVNVHSPB-QGZVFWFLSA-N	431.237	6.119	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C1=O	217280386	QBFHGKAEJPEQMT-UHFFFAOYSA-N	439.821	5.397	70	10	IKIE	
C[C@H]1CCCC[C@H]1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298612	XAZHDYUMQGTGSW-MAUKXSAKSA-N	425.411	5.393	70	10	IKIE	
CN[C@@H](c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1	161157389	NYVQQKSSDGNPFH-CYBMUJFWSA-N	435.181	5.936	70	10	IKIE	
CCN[C@@H](c1ccc(OC)cc1Cl)c1cc(Br)ccc1Br	159850201	WORKNPJHKWVPSA-INIZCTEOSA-N	433.571	5.573	70	10	IKIE	
Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CCCC(C)C)cc1Br	159575144	IRRHQVHTMHXCSP-GFCCVEGCSA-N	441.229	5.013	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1	102959088	CTERCLLKWFYKRA-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCN[C@@H](c1cc(C)c(F)cc1Cl)c1cc(Br)ccc1Br	159890920	YLXBDXBXZXUUHC-MRXNPFEDSA-N	435.562	6.011	70	10	IKIE	
CCCOc1c(Cl)cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1OCC	217067828	POIKBSOSDPZTJS-XXBNENTESA-N	427.976	5.050	70	10	IKIE	
CC(C)(C)OC(=O)Nc1ccc([C@H](CS(=O)(=O)Cl)C2CC2)c(C(F)(F)F)c1	1952682719	NTXULSZQVAFKLC-CYBMUJFWSA-N	427.872	5.115	70	10	IKIE	
C[C@H](c1cccs1)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	2052596849	FAXMQFBOISLAQR-CYBMUJFWSA-N	440.117	5.728	70	10	IKIE	
COc1cc(Cl)c([C@@H](O)c2cc(Br)ccc2Br)cc1Cl	161055127	GETAXZUEKUGSOS-AWEZNQCLSA-N	440.946	5.609	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1Cl	2190461188	RFSXDFUKCSVOCF-LLVKDONJSA-N	440.078	5.794	70	10	IKIE	
C[C@@H](c1ccccc1)N1C[C@H](NC(=O)Nc2ccccc2Sc2ccccc2)CC1=O	217283853	ANTQJZUJNLWJPS-AZUAARDMSA-N	431.561	5.321	70	10	IKIE	
CC(C)N(Cc1ccccc1)C(=O)NCCCOc1ccc(Br)cc1Cl	217298850	NLPCTGNXHYOGPY-UHFFFAOYSA-N	439.781	5.492	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)N2CCCc3ccccc32)c(Br)c1	217298455	RFOUEWOBEMSBFY-UHFFFAOYSA-N	445.401	5.678	70	10	IKIE	
CCN[C@H](c1cc2ccc(F)cc2s1)c1cc(Br)sc1Br	161143853	VRFDATGVPVAYAV-AWEZNQCLSA-N	449.208	6.326	70	10	IKIE	
CCC(C)(CC)COC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2182255865	OGAPADLSXDGDKA-UHFFFAOYSA-N	430.975	5.238	70	10	IKIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1ccc(I)cc1	160250383	VJLGPGIFDBKFIR-MRXNPFEDSA-N	448.117	5.086	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1Cl	59148047	GIQITFBRZHYBAB-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCCN[C@H](c1cc(C)c(Br)s1)c1ccc(Br)cc1OC	160653056	DKMZXFBBEQCVPX-HNNXBMFYSA-N	433.209	5.679	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccccc1C(F)(F)F	217281104	DOCHSMGMCXPERV-UHFFFAOYSA-N	431.414	5.278	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C(\C)C(C)(C)C)cc1	216672459	QLYPXIVDWZUNQF-BMRADRMJSA-N	438.524	5.083	70	10	IKIE	
N[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Cl)c(Br)s1	159580526	MTJLAKIIPPWGGZ-AWEZNQCLSA-N	431.580	6.128	70	10	IKIE	
C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc(Br)ccc1Br	160326475	QAYLKIZAMWBQCI-JTQLQIEISA-N	431.555	5.226	70	10	IKIE	
CCc1cccc(C)c1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298922	SHMZHANURAARCS-UHFFFAOYSA-N	425.754	5.564	70	10	IKIE	
CCCCCCCOc1c(Br)cc(S(=O)(=O)F)cc1Br	2191429702	BVINWKUDAUZPKQ-UHFFFAOYSA-N	432.149	5.219	70	10	IKIE	
CC(=O)OC(Sc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	585666170	LLLDTSCLYCYKQT-UHFFFAOYSA-N	442.520	5.423	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1ccc(Br)c(Cl)c1	160811129	NALUFSPUJRFNGB-CQSZACIVSA-N	437.628	6.210	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1ccc(Br)c(Cl)c1	161321172	HZMUMGCGMYWYEF-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	217266287	KCNWOXSJAHUHSK-UHFFFAOYSA-N	436.308	5.904	70	10	IKIE	
Cn1cc(C(=O)c2cc(Br)c(Br)s2)c2ccc(Cl)cc21	159631026	FDNPGIJFZFSMHO-UHFFFAOYSA-N	433.552	5.649	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1ccc(I)cc1	160250241	VJLGPGIFDBKFIR-INIZCTEOSA-N	448.117	5.086	70	10	IKIE	
N[C@@H](Cc1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	160675245	ZYTCPBGCMGWXMB-NSHDSACASA-N	429.099	5.534	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Cl	161404850	NARBTWJRBRWDEM-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CCN[C@H](c1cc(Br)sc1Br)C1C2CC3CC(C2)CC1C3	160137876	ONYWESJVKCXBSD-NTFJSKBOSA-N	433.253	5.996	70	10	IKIE	
O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1cn2ccsc2n1	218654944	QQDLDKXQBXZYFG-UHFFFAOYSA-N	437.468	5.024	70	10	IKIE	
CCCC[Sn](CCCC)(CCCC)c1ccc(S(=O)(=O)F)cc1	1882338631	CQXDGYRSAWDGAN-UHFFFAOYSA-N	449.220	5.401	70	10	IKIE	
CC(C)(C)NCCCc1nnc(-c2cc(Br)ccc2Br)s1	161291345	TZOUORNEXNFSHH-UHFFFAOYSA-N	433.213	5.051	70	10	IKIE	
CCOc1c(Br)cc(CN[C@H](C)CCSCC)cc1Br	159994011	ZZIRCPNVYWQTCI-LLVKDONJSA-N	425.230	5.232	70	10	IKIE	
O=S(=O)(Oc1ccc2nc(Oc3c(Cl)cccc3Cl)ccc2c1)C(F)(F)F	139469177	MFIMNOOJDFUILK-UHFFFAOYSA-N	438.210	5.562	70	10	IKIE	
CCN[C@H](c1ccc(C(C)(C)C)s1)c1cc(Br)ccc1Br	159897978	GHMHHTZBTDNFNC-INIZCTEOSA-N	431.237	6.270	70	10	IKIE	
COc1ccc(-c2c(OS(=O)(=O)C(F)(F)F)ccc3c2CCC=C(C)CCO3)cc1	1081258053	RREXBZIVAVQUEV-UHFFFAOYSA-N	442.455	5.252	70	10	IKIE	
CC(C)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298415	KQLNYYKLPQAPHX-UHFFFAOYSA-N	447.417	6.461	70	10	IKIE	
CN[C@H](c1ccc(C)cc1Br)c1csc2c(Br)cccc12	161048909	BLUDJVMHWXWTJG-MRXNPFEDSA-N	425.189	6.044	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)N[C@@H](C)Oc4ccc(Cl)cc4)cc3)sc2c1	217295198	VXOYTHHEKCBTDL-OAHLLOKOSA-N	437.952	6.472	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Cl)s1)c1cc(Br)ccc1Br	160877024	RVCWZMPKFKNTKI-AWEZNQCLSA-N	437.628	6.210	70	10	IKIE	
CCN[C@H](Cc1ccc(Br)s1)c1c(F)cc(Br)cc1F	160755486	WKWOHGUZIJZQLA-GFCCVEGCSA-N	425.136	5.445	70	10	IKIE	
CN[C@H](Cc1ccc(C(C)(C)C)cc1)c1cc(Br)c(Br)s1	161281159	LIGMOLVBOULBJN-CQSZACIVSA-N	431.237	6.074	70	10	IKIE	
CC(C)CN(CC(C)C)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298687	IUCXSXOVEZFZHH-UHFFFAOYSA-N	441.454	5.839	70	10	IKIE	
c1ccc(CCCOc2ccc([C@H]3NN=C4CCN(Cc5ccccc5)C[C@H]43)cc2)cc1	217068555	FDHCUWRATQYYPY-IXCJQBJRSA-N	425.576	5.221	70	10	IKIE	
CCC[C@H](CC)COc1c(Br)cc(S(=O)(=O)F)cc1Br	2381651219	XUKAEYRIRDVPJI-VIFPVBQESA-N	432.149	5.075	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Cl)cc1Cl)c1csc(I)c1	160476021	AQNOOHNVRSHEBM-AWEZNQCLSA-N	440.177	5.943	70	10	IKIE	
C[C@H](c1ccccc1)N1C[C@@H](NC(=O)Nc2ccccc2Sc2ccccc2)CC1=O	217283854	ANTQJZUJNLWJPS-QUCCMNQESA-N	431.561	5.321	70	10	IKIE	
CSc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2Br)cc1	160323418	HRWSNDMSAANSJA-SNVBAGLBSA-N	429.177	5.425	70	10	IKIE	
CCCN[C@@H](c1cc(Br)sc1Br)c1sccc1OC	161506866	MHLVFICPBBFURS-NSHDSACASA-N	425.211	5.432	70	10	IKIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Cl	160365237	LXJPATZSYAVPBU-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
Cc1cc(Br)ccc1NC(=O)Nc1ccccc1I	217273111	VVVLRKKFFYFCPF-UHFFFAOYSA-N	431.071	5.006	70	10	IKIE	
CN[C@H](Cc1ccc(Br)s1)c1ccc(Br)c(C(F)(F)F)c1	160791331	SYIIAQWUNJFIRB-GFCCVEGCSA-N	443.126	5.795	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)ccc(Cl)c1[C@@H](CS(=O)(=O)Cl)C1CC1	1952682188	HJLBIYGHVNFDQZ-JTQLQIEISA-N	428.765	5.403	70	10	IKIE	
CCOc1c(Br)cc(Br)cc1CN[C@H](C)CCSCC	159972485	SLPJKNGNOICCJT-LLVKDONJSA-N	425.230	5.232	70	10	IKIE	
C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc2c(c1)CCCC2	217281190	YIKONKCRMSIDHQ-KRWDZBQOSA-N	445.563	5.377	70	10	IKIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)Cc2cccs2)c(Br)c1	2004990170	FIRDKYGRVLYFCN-UHFFFAOYSA-N	426.090	5.167	70	10	IKIE	
CCOC(=O)c1c(S(=O)(=O)Cl)c(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C	95707914	OBFKKROZJHDFHA-UHFFFAOYSA-N	438.332	5.210	70	10	IKIE	
COc1cccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)c1OCc1cccc(C)c1	217065049	ZSNBTKUFKUSVAV-SQHAQQRYSA-N	441.575	5.105	70	10	IKIE	
CCc1cccc(C)c1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298509	GGTSTCDAEQFAFQ-UHFFFAOYSA-N	447.417	6.208	70	10	IKIE	
CC(=O)C(N=Nc1ccccc1)=P(/C=C\c1ccccc1)(c1ccccc1)c1ccccc1	254742516	GFKSXBLYTPZRMF-IHJAFOEFSA-N	448.506	6.829	70	10	IKIE	
CN[C@@H](c1cc(C(F)(F)F)ccc1Br)c1sccc1Br	159755133	DYINPJNXOHEWHG-NSHDSACASA-N	429.099	5.601	70	10	IKIE	
Cc1nc2ccccn2c1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218608721	GENBFRBMHALQMX-UHFFFAOYSA-N	428.492	5.825	70	10	IKIE	
CN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)C1CCCCC1	217298441	DDOWQGWLZCLJJE-UHFFFAOYSA-N	425.411	5.490	70	10	IKIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1cccc(I)c1	160367148	NVAHXMORSFSUDD-MRXNPFEDSA-N	448.117	5.086	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1ccc(OC)c(Br)c1	160687719	JKJGXOCLVLZJJJ-AWEZNQCLSA-N	433.209	5.565	70	10	IKIE	
CC(C)c1ccccc1O[C@H](C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217292300	ZWDJAVUPPPGTMX-GFCCVEGCSA-N	434.380	6.394	70	10	IKIE	
Cc1nc(-c2ccccc2NC(=O)[C@H]2CCCCN2c2ccc(-c3ccco3)nn2)cs1	218602865	RWZVMUDUBSNIBK-OAQYLSRUSA-N	445.548	5.166	70	10	IKIE	
CCN[C@H](c1cc(C)c(Cl)cc1C)c1cc(Br)ccc1Br	159873540	CPCDTZZKUYCLBE-QGZVFWFLSA-N	431.599	6.181	70	10	IKIE	
Cc1cc(Br)c([C@@H](O)c2cc(C(F)(F)F)ccc2Br)s1	159826096	VNHVMQKLXAIVMY-NSHDSACASA-N	430.083	5.682	70	10	IKIE	
Cc1nc2ccccn2c1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1	218531567	RKIGJNUDVLMWMW-UHFFFAOYSA-N	426.505	5.157	70	10	IKIE	
CC(C)(C)OC(=O)Nc1cc([C@@H](CS(=O)(=O)Cl)C2CC2)cc(C(F)(F)F)c1	1952697849	YPRRGPFXOABEBZ-AWEZNQCLSA-N	427.872	5.115	70	10	IKIE	
CN[C@H](c1cc(Br)ccc1Br)c1cc(Cl)cc2c1OCC2	159906767	VXSGXKUGKWJDLP-OAHLLOKOSA-N	431.555	5.109	70	10	IKIE	
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccc(Cl)cc1	217295135	LVXHYEVAVAZEBU-VIFPVBQESA-N	426.744	5.924	70	10	IKIE	
CCOc1cc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc(OCC)c1OCC	217286243	BDCARJJFHAWVJU-UHFFFAOYSA-N	443.525	5.124	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)N[C@H](C)Oc4ccc(Cl)cc4)cc3)sc2c1	217295197	VXOYTHHEKCBTDL-HNNXBMFYSA-N	437.952	6.472	70	10	IKIE	
CCC(CC)CCOc1c(Br)cc(S(=O)(=O)F)cc1Br	2363471669	NBWZXNKYCANRFO-UHFFFAOYSA-N	432.149	5.075	70	10	IKIE	
CN[C@@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br	160528104	WMAQHKHRILPYLA-HNNXBMFYSA-N	437.990	6.022	70	10	IKIE	
C=C(CCSc1cc(I)ccc1Br)[B-](F)(F)F	1900824503	DTXYSUUXFAVMAQ-UHFFFAOYSA-N	435.863	5.479	70	10	IKIE	
CCCCN(CCCC)S(=O)(=O)c1cc(Br)c(C)cc1Br	159548540	VGGNFGHEPUUXHF-UHFFFAOYSA-N	441.229	5.111	70	10	IKIE	
CCc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298582	XCKXUSZFFOXYHU-UHFFFAOYSA-N	433.390	5.900	70	10	IKIE	
CC(C)[C@H](C)[C@H](C)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2365432779	SOLMJIJCOGGTCI-KBPBESRZSA-N	430.975	5.092	70	10	IKIE	
Fc1cc(CNc2ccc(Br)cc2C(F)(F)F)ccc1Br	161290330	SAHICUPVNXOGPJ-UHFFFAOYSA-N	427.033	5.982	70	10	IKIE	
CN[C@@H](c1cc2ccc(F)cc2s1)c1cc(Br)sc1Br	161141184	PNHQTDBAGVBKQZ-CYBMUJFWSA-N	435.181	5.936	70	10	IKIE	
Cc1ccc(C)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298690	WEFHUKBPWYTBDN-UHFFFAOYSA-N	433.390	5.954	70	10	IKIE	
Cc1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1Cl	217298829	KYAGHCZQRUZTMI-UHFFFAOYSA-N	432.145	5.655	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Cl	161404980	NARBTWJRBRWDEM-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
COc1ccc([C@@H](N)c2cc(Br)ccc2Br)c(Br)c1	159851946	KSJUATGDOXBZEJ-CQSZACIVSA-N	449.968	5.031	70	10	IKIE	
COc1cc(Cl)c([C@H](N)c2cc(Br)ccc2Br)cc1Cl	159901970	DQULOKFZNLQUHN-CQSZACIVSA-N	439.962	5.575	70	10	IKIE	
Fc1cc(CNc2ccc(Br)c(C(F)(F)F)c2)ccc1Br	161261543	MKBRRVCSLLDSQW-UHFFFAOYSA-N	427.033	5.982	70	10	IKIE	
Cc1cc(C)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(C)c1	217298510	CLRQXNFIDFLOJH-UHFFFAOYSA-N	447.417	6.262	70	10	IKIE	
O=C(c1c(Cl)cccc1S(=O)(=O)Cl)N(Cc1ccccc1)CC1CCCC1	2152151696	KZDIGDLTRSJYLX-UHFFFAOYSA-N	426.365	5.100	70	10	IKIE	
CN[C@H](CSc1cccc(Br)c1)c1c(Br)cnn1C(C)C	160782394	WWXIEMGZAZWSEP-CQSZACIVSA-N	433.213	5.042	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)N(Cc3ccccc3)c3ccccc3)cc2C1=O	217279684	JQKBJLQELPLHJX-UHFFFAOYSA-N	427.504	5.177	70	10	IKIE	
C[C@H](N(Cc1ccccc1)C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1)C(C)(C)C	2152227405	KXWOTCQDCHZFGC-AWEZNQCLSA-N	428.381	5.345	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)c(OCC2=CCCCC2)c(Br)c1	2281265806	LEAUNHNOLLQGSJ-UHFFFAOYSA-N	444.572	5.018	70	10	IKIE	
CCCCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	59148220	FYXUCXDQRLXNSW-UHFFFAOYSA-N	434.577	5.098	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Cl)c1cc(Br)c(Br)s1	160627097	CHJPUUARIKXHCY-GFCCVEGCSA-N	441.591	5.959	70	10	IKIE	
CCCN[C@H](c1cc(Cl)c(Br)s1)c1cc(C)ccc1Br	161471334	ZGAZPUBILMMBGK-AWEZNQCLSA-N	437.628	6.324	70	10	IKIE	
O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217268870	YQUPDPJATNVBHV-UHFFFAOYSA-N	447.582	6.293	70	10	IKIE	
Cc1c(C[B-](F)(F)F)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1N=[N+]=[N-]	1887514974	WRUCSUXGKHDYBJ-UHFFFAOYSA-N	426.272	5.540	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2cccc(Br)c2)c(Cl)c1Cl	59148060	BVWCEPGUJJLRQS-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CN(Cc1ccccc1)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298551	GNBGMUGESKXDPU-UHFFFAOYSA-N	433.390	5.357	70	10	IKIE	
CC(C)C1=C(CO)C(c2ccc(F)cc2)=C(C(C)(C)C)[C@@H](C(C)C)N1CO[SiH](C)C	201097052	WLWVOOBEXDVXNE-XMMPIXPASA-N	433.684	5.826	70	10	IKIE	
O=C(Nc1ccccc1I)N(Cc1ccccc1)Cc1ccccc1	217272919	NZFYHLJPBZBEDP-UHFFFAOYSA-N	442.300	5.526	70	10	IKIE	
Cc1cc2ncc(CCCNC(=O)CCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cn2n1	218020638	BCGGQCZRNRJAAQ-UHFFFAOYSA-N	434.628	5.314	70	10	IKIE	
N[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Cl)c(Br)s1	159580660	MTJLAKIIPPWGGZ-CQSZACIVSA-N	431.580	6.128	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1ccc(Br)cc1Cl	160182236	FBLZGJWAUQCOKN-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
Cc1cc(C)c(N[C@@H](C)c2ccc(I)cc2)c(Br)c1	159672434	RAGCTUHSIYYQSU-LBPRGKRZSA-N	430.127	5.844	70	10	IKIE	
CCCN[C@@H](Cc1ccc(CC)s1)c1cc(Br)ccc1Br	161151539	KXYTVYGVNVHSPB-KRWDZBQOSA-N	431.237	6.119	70	10	IKIE	
CCCc1ccc(NC(=O)c2cc(Br)ccc2I)cc1	217480373	YNQOLQPZQKQBDV-UHFFFAOYSA-N	444.110	5.259	70	10	IKIE	
Cc1ccc(Br)c(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	699748993	ASRFBDDMVZISPK-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
CC(C)(C)OC(=O)N(CCCC(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1)Cc1ccccc1	1990260481	BIUFDXKGTDAAIA-XMSQKQJNSA-N	439.307	5.044	70	10	IKIE	
CCCC[C@H](CC)CNS(=O)(=O)c1cc(Br)c(C)cc1Br	159615479	UZQJIRKAROPJER-LBPRGKRZSA-N	441.229	5.015	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	102959101	DWHYNRBSOHOHTE-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CN[C@H](c1ccc2cc(Br)ccc2c1)c1sc(C)cc1Br	159577468	XVBJYPIUGOLUOO-MRXNPFEDSA-N	425.189	6.044	70	10	IKIE	
CN[C@@H](Cc1ccc(Br)s1)c1ccc(Br)c(C(F)(F)F)c1	160791208	SYIIAQWUNJFIRB-LBPRGKRZSA-N	443.126	5.795	70	10	IKIE	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2ccc(N)cc12	218130480	UFCCLBMOYUHTQF-UHFFFAOYSA-N	448.520	5.078	70	10	IKIE	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218538896	OGWCFYDIKDZYLZ-GFCCVEGCSA-N	432.332	5.776	70	10	IKIE	
O=C(NCCOc1ccccc1)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218676011	YEOIVVZUMYYDKE-UHFFFAOYSA-N	433.508	5.817	70	10	IKIE	
Cc1ccc2nc(NC(=O)c3cc(Br)ccc3Br)sc2c1	159999722	MGCUHDDVGJETPT-UHFFFAOYSA-N	426.133	5.382	70	10	IKIE	
COc1cccc(CNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298771	XWXDENKPVMGGPK-UHFFFAOYSA-N	449.389	5.024	70	10	IKIE	
Cc1ccc(Cl)cc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298920	NXRWKVYDAVCHPS-UHFFFAOYSA-N	432.145	5.655	70	10	IKIE	
CC(=O)C(N=Nc1ccccc1)=P(/C=C/c1ccccc1)(c1ccccc1)c1ccccc1	254742515	GFKSXBLYTPZRMF-GCZIQUDASA-N	448.506	6.829	70	10	IKIE	
CN[C@H](c1cc(C)c(Br)s1)c1cc(C(F)(F)F)ccc1Br	159752028	FSLOEGAERICEPV-LBPRGKRZSA-N	443.126	5.909	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)cc1	216637091	DMHDEBMRWHTNET-UHFFFAOYSA-N	446.503	5.021	70	10	IKIE	
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1Br	160352464	ZIPKCZFIAQPANU-WCBMZHEXSA-N	429.074	5.063	70	10	IKIE	
CCN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccccc1	217298550	RZGQIPWRSIYYOR-UHFFFAOYSA-N	433.390	5.752	70	10	IKIE	
CCc1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298679	HBIIPXCDOGWCPL-UHFFFAOYSA-N	433.390	5.900	70	10	IKIE	
Nc1onc(-c2cc(Br)ccc2Br)c1-c1ccc(Cl)cc1	160781397	JFRMPOPKSQPIBA-UHFFFAOYSA-N	428.511	5.769	70	10	IKIE	
Cc1cc(NC(=O)Nc2ccccc2I)ccc1Br	217273113	UPLLNIGWQGBNIV-UHFFFAOYSA-N	431.071	5.006	70	10	IKIE	
CN[C@H](Cc1nc2ccccc2s1)c1cc(Br)ccc1Br	160803415	OKWFKIRHEYBGMF-CQSZACIVSA-N	426.177	5.325	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2Cl)c(Br)c1	217298425	FWYQSZJNKFAFJK-UHFFFAOYSA-N	439.781	5.991	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1ccc(Br)c(Cl)c1	160811018	NALUFSPUJRFNGB-AWEZNQCLSA-N	437.628	6.210	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(F)ccc2F)c(Br)c1	217298755	CPXJDXKBSQUFTP-UHFFFAOYSA-N	441.316	5.615	70	10	IKIE	
C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C12CC3CC(CC(C3)C1)C2	217281163	NKYGPGOEVWOZPJ-ZCZKMIILSA-N	449.595	5.342	70	10	IKIE	
CCN(Cc1ccccc1Cl)C(=O)c1cc(Br)ccc1Br	160388517	JXDNPKSWIZZTFM-UHFFFAOYSA-N	431.555	5.527	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)NCC45CC6CC(CC(C6)C4)C5)cc3)sc2c1	217276428	SSDJVVGXQMVBPR-UHFFFAOYSA-N	431.605	6.610	70	10	IKIE	
Cc1cc(Oc2ccc(Br)cc2Br)ccc1S(=O)(=O)Cl	113939196	AEIPZLBQFXBZAR-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
Cn1cc(C(=O)c2cc(Br)ccc2Br)c2ccc(Cl)cc21	159793530	FIBJCIPQJNGHOP-UHFFFAOYSA-N	427.523	5.588	70	10	IKIE	
CCC[C@@H](CC)COC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2381871125	FJJKTOAEFCTLQE-CQSZACIVSA-N	430.975	5.238	70	10	IKIE	
CN[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Cl)c(Br)s1	159580950	CKLRVOOZQWOPTJ-OAHLLOKOSA-N	445.607	6.389	70	10	IKIE	
CCCOc1c(Cl)cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1OCC	217067861	POIKBSOSDPZTJS-AUSIDOKSSA-N	427.976	5.050	70	10	IKIE	
CCOc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc(OCC)c1OCC	217274507	QHGDUZLODZUUJJ-KRWDZBQOSA-N	426.557	5.644	70	10	IKIE	
O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)C1(c2ccc(Cl)cc2)CCCC1	217455458	ZGXNHYOQPJLHJA-UHFFFAOYSA-N	448.998	5.106	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1cc(Cl)ccc1Cl	217281111	QTCZIYYKKAAYMO-UHFFFAOYSA-N	432.307	5.566	70	10	IKIE	
CN[C@@H](c1cc(C(F)(F)F)ccc1Br)c1sc(C)cc1Br	159750291	MXIJOPQBGGRYRU-LBPRGKRZSA-N	443.126	5.909	70	10	IKIE	
CN[C@H](Cc1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	160775243	CDNQRSASHLDAFA-GFCCVEGCSA-N	443.126	5.795	70	10	IKIE	
O=C(Nc1ccc(N2CCCCC2)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281331	HNZPREZRILYDTC-UHFFFAOYSA-N	446.551	5.250	70	10	IKIE	
CCOC1(c2nc(Cl)c(I)c(Cl)n2)CCC(C)(C)CC1	160447398	BRAMUYMJXJOZGR-UHFFFAOYSA-N	429.129	5.220	70	10	IKIE	
CCCC[C@H](CC)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2286891121	FCHJKIMQXWLDLX-HNNXBMFYSA-N	430.975	5.380	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)NC(c4ccccc4)c4ccccc4)cc3)sc2c1	217269954	BVLCLANXNRVJAV-UHFFFAOYSA-N	449.579	7.183	70	10	IKIE	
COc1cccc(NC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1OC	218675694	YYUZSNMMPONEMJ-UHFFFAOYSA-N	449.507	6.277	70	10	IKIE	
CC(C)c1cc(C(C)C)c(B(F)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1	196752480	JEIYBMXNOPIIOP-UHFFFAOYSA-N	436.508	8.502	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)N[C@@H](C)Oc1ccc(C(C)C)cc1	217296081	BPMGBBXPYXUUPT-CQSZACIVSA-N	438.309	5.270	70	10	IKIE	
Cc1ccc(O)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298585	JHETYDRJNPFHTG-UHFFFAOYSA-N	435.362	5.351	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2cccc(Br)c2F)c(Br)c1	2144674827	AUPOWBJUBQHJHS-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2ccccc2Br)c(Cl)c1Cl	59148040	KAHBMOBQELQZGD-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1Br	160352600	ZIPKCZFIAQPANU-WPRPVWTQSA-N	429.074	5.063	70	10	IKIE	
CCN[C@H](c1cc(C)c(C)cc1Cl)c1cc(Br)ccc1Br	159901134	DDLFLWPJBYHKNB-KRWDZBQOSA-N	431.599	6.181	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)NCCCOc4ccccc4C)cc3)sc2c1	217300470	BSGPEOXFPGIQHL-UHFFFAOYSA-N	431.561	6.171	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(Br)cc4)cc3)sc2c1	217273564	ULWPJKLKYQJHEV-UHFFFAOYSA-N	438.350	6.678	70	10	IKIE	
Cc1cc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(Cl)cc1Cl	217293702	GOCMTGSGWPRYCD-UHFFFAOYSA-N	446.402	5.134	70	10	IKIE	
O=C(NCc1ccccc1Br)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217314347	XDAHJMQIWYQYEV-UHFFFAOYSA-N	441.169	5.808	70	10	IKIE	
CN(CCN(Cc1ccccc1)c1ccnc2ccc([B-](F)(F)F)cc12)Cc1ccccc1	2257613824	HFHHULHXFLWWLB-UHFFFAOYSA-N	448.321	5.428	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(Br)cc2C)cc(OCC)c1OCC	217275151	KTCUHYSHRVLCSV-UHFFFAOYSA-N	437.334	5.598	70	10	IKIE	
CCCCCC[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br	159606803	VZCSVBQCKYHAMR-GFCCVEGCSA-N	441.229	5.157	70	10	IKIE	
O=C(c1c(Cl)cccc1S(=O)(=O)Cl)N(Cc1ccccc1)C1CCCCC1	2152243668	PIVHONJLXATTGE-UHFFFAOYSA-N	426.365	5.243	70	10	IKIE	
COc1cc(Br)ccc1[C@@H](N)c1csc2c(Br)cccc12	160656459	RMKARBJUIFOTMA-OAHLLOKOSA-N	427.161	5.483	70	10	IKIE	
CCN[C@H](Cc1ccc(Cl)cc1Cl)c1csc(I)c1	160489019	CMROMIVMSVGRBO-CYBMUJFWSA-N	426.150	5.553	70	10	IKIE	
CN[C@H](c1cc(C(F)(F)F)ccc1Br)c1sc(C)cc1Br	159750180	MXIJOPQBGGRYRU-GFCCVEGCSA-N	443.126	5.909	70	10	IKIE	
C[C@@H]1CCCC[C@H]1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298611	XAZHDYUMQGTGSW-CRAIPNDOSA-N	425.411	5.393	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2cccc(F)c2Br)c(Br)c1	694742754	ABMPSMJYDHIRSX-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
CCN[C@H](c1ccc(Br)o1)c1cc(C(F)(F)F)ccc1Br	159752802	GLUUBTZCVURNLE-ZDUSSCGKSA-N	427.058	5.522	70	10	IKIE	
O=C(Cc1cccs1)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1	218389867	XBTAUWLUKDCFRR-UHFFFAOYSA-N	427.501	6.075	70	10	IKIE	
O=S(=O)(Cl)CCCCCCCOc1ccc(Br)cc1Br	2294695857	AXQYATCCSLJZRS-UHFFFAOYSA-N	448.604	5.110	70	10	IKIE	
Cc1cc(Br)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1Br	159558093	RPBBMBXEHFZKOX-UHFFFAOYSA-N	441.229	5.013	70	10	IKIE	
Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(Cl)c1	217281407	JFBZROWUKVYNMU-UHFFFAOYSA-N	425.916	5.530	70	10	IKIE	
Cc1onc(-c2ccccc2Cl)c1C(=O)N(CCc1cccs1)C1CCOCC1	217291448	HSWLEXYLRKWYEQ-UHFFFAOYSA-N	430.957	5.229	70	10	IKIE	
Cc1c(S)cc([B-](F)(F)F)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21	1887519049	KCMHPHFBYIYOCE-UHFFFAOYSA-N	442.291	5.377	70	10	IKIE	
C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1C	1887561543	XBXHJZSPIAFICX-UHFFFAOYSA-N	448.273	5.378	70	10	IKIE	
CCCN[C@H](Cc1cc(Br)ccc1F)c1cc(C)c(Br)s1	160199282	MTNACFQKOLWYIJ-CQSZACIVSA-N	435.200	6.004	70	10	IKIE	
O=C(NCc1cc(S)cc([B-](F)(F)F)c1)OCC1c2ccccc2-c2ccccc21	1887520722	FRSIYMROZBIYRY-UHFFFAOYSA-N	428.264	5.068	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1ccc(Cl)cc1	217299198	ZLMYURQSXUTPIO-UHFFFAOYSA-N	446.172	5.067	70	10	IKIE	
CCOc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc(OCC)c1OCC	217274509	QHGDUZLODZUUJJ-QGZVFWFLSA-N	426.557	5.644	70	10	IKIE	
CC(=O)C(N=Nc1ccccc1)=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1	263631672	RUXOIUWJFCXOJD-UHFFFAOYSA-N	443.576	5.710	70	10	IKIE	
O=C(NCCc1ccccc1Br)Nc1ccccc1Sc1ccccc1	217383032	UZRUYMDONXTQAO-UHFFFAOYSA-N	427.367	5.965	70	10	IKIE	
Cc1c(C(=O)O)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F	1887519047	JYJJHSJXRVXGPI-UHFFFAOYSA-N	440.206	5.109	70	10	IKIE	
CCN[C@H](c1ccc2cc(Br)ccc2c1)c1ccc(Br)s1	159572379	LYUYRKBSESYHIQ-QGZVFWFLSA-N	425.189	6.125	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cc(Cl)ccc1O	217298968	LUHOEKTXYXXOBT-UHFFFAOYSA-N	434.117	5.052	70	10	IKIE	
CN[C@@H](Cc1ccc(F)cc1Cl)c1cc(Br)c(Br)s1	160598118	PNKACKPNRIRTKF-NSHDSACASA-N	427.564	5.569	70	10	IKIE	
N[C@@H](c1ccc(F)c(Br)c1)c1cc(C(F)(F)F)ccc1Br	159751291	ILICAGQGMFOSMW-ZDUSSCGKSA-N	427.033	5.418	70	10	IKIE	
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CCC2=O	111430507	AXWYROHIFVWHMR-NVJIOZQYSA-N	438.395	5.390	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2c(F)cccc2F)c(Br)c1	217298580	JCNBOZGOVKHOFR-UHFFFAOYSA-N	441.316	5.615	70	10	IKIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281183	VGHQCTGAAZXNGS-QGZVFWFLSA-N	449.551	5.205	70	10	IKIE	
CN(C)c1c(Cl)cccc1NC(=O)c1cc(Br)ccc1Br	160296779	IHYFVGWJNGEXBR-UHFFFAOYSA-N	432.543	5.183	70	10	IKIE	
O=C(c1cc(Br)ccc1Cl)N(CCc1cccs1)C1CCOCC1	217291358	BAFSSQJPGYNPAO-UHFFFAOYSA-N	428.779	5.028	70	10	IKIE	
C[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccc(Cl)cc1	217295136	LVXHYEVAVAZEBU-SECBINFHSA-N	426.744	5.924	70	10	IKIE	
CC(=O)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298524	LDTLBKSDXBOLJG-UHFFFAOYSA-N	447.373	5.540	70	10	IKIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)CC2CCCCC2)c(Br)c1	2052598379	PXWJXFMPBPPAAK-UHFFFAOYSA-N	426.109	5.485	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OCC	217274515	BHYRNFDNTKEZIZ-UHFFFAOYSA-N	436.508	6.319	70	10	IKIE	
CC[C@@H](NC(=O)Nc1ccccc1I)c1ccc2c(c1)CCCC2	217272817	PXFHXUHTDDKXGU-GOSISDBHSA-N	434.321	5.443	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1ccccc1Cl	217299190	UMEDYYUNDBXALU-UHFFFAOYSA-N	446.172	5.067	70	10	IKIE	
CCCN[C@@H](c1cc(Br)ccc1Br)c1cccc(C)c1Cl	160302751	VHEANMXRSKWZJQ-QGZVFWFLSA-N	431.599	6.262	70	10	IKIE	
CN[C@H](c1cc(Br)c(Br)s1)c1c(C)ccc2ccccc12	160897838	ZTRUHKCFYZJYAV-MRXNPFEDSA-N	425.189	6.044	70	10	IKIE	
CCN[C@@H](Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl	161481576	PTKWRMYAVWHJAB-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C(\C)C(C)(C)C)cc2)cc1	216647249	PPQYQJMMKYKMAU-BMRADRMJSA-N	438.524	5.083	70	10	IKIE	
CCC1(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)CCC1	380988208	AUFHTBAGPSCCMM-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
CC(C)c1nn(-c2ccc(OCc3ccccc3)cc2)c(Cl)c1S(=O)(=O)Cl	703511142	QKXOJLZWGWGYKH-UHFFFAOYSA-N	425.337	5.156	70	10	IKIE	
N[C@@H](c1cc(Cl)c(Br)s1)c1cc(C(F)(F)F)ccc1Br	159753889	KCHZEZGUNDSHNR-SNVBAGLBSA-N	449.517	5.993	70	10	IKIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccccc3Sc3ccccc3)cc2C1=O	217279146	OWPRHBXYZPYSMF-UHFFFAOYSA-N	431.517	5.486	70	10	IKIE	
C[C@H]1CCC[C@H](C)N1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298608	RZTPSBJFYHJLDP-HOTGVXAUSA-N	425.411	5.488	70	10	IKIE	
CN[C@@H](c1cc2ccc(F)cc2s1)c1cc(Br)ccc1Br	161138424	LMVZNYKIFBHYPY-MRXNPFEDSA-N	429.152	5.874	70	10	IKIE	
COc1ccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1OCc1ccc(C)cc1	217065017	AXLVKVYPSZLZML-UFHPHHKVSA-N	441.575	5.105	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)cc2)c(Br)c1	217298536	JSZJSBXJQMFMNM-UHFFFAOYSA-N	439.781	5.991	70	10	IKIE	
CCN[C@H](c1cc(Br)c(Br)s1)C1C2CC3CC(C2)CC1C3	160152648	ZEEBOPPEISABSR-NTFJSKBOSA-N	433.253	5.996	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2C1=O	217279754	NUXRBVPFGVBTCJ-UHFFFAOYSA-N	439.821	5.255	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)c(C)c3)c2)cc1	216687129	PFASUDBDUNYJGC-UHFFFAOYSA-N	446.503	5.021	70	10	IKIE	
N[C@H](Cc1ccc(Br)s1)c1ccc(Br)c(C(F)(F)F)c1	160695846	UOTJKPIROVALPW-LLVKDONJSA-N	429.099	5.534	70	10	IKIE	
Cc1cc(Br)c(N[C@H]2C[C@H](C)Sc3sccc32)c(Br)c1	217000464	SYCDJGQKCDAFKB-ZANVPECISA-N	433.234	6.619	70	10	IKIE	
CCN[C@H](c1cc(Br)c(C)cc1Br)c1cccc(C)c1Cl	160324981	XLLPHIGZIPLIMK-KRWDZBQOSA-N	431.599	6.181	70	10	IKIE	
CCc1cccc(CC)c1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298918	IQUBCVGZUQEWHT-UHFFFAOYSA-N	439.781	5.818	70	10	IKIE	
C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1C	1887506208	UEGUMELTYLRGNG-UHFFFAOYSA-N	434.246	5.069	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1Cl	2368344788	CODSIFPRFKBNGK-QGZVFWFLSA-N	440.078	5.794	70	10	IKIE	
O=C(N/C=C/c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	218228751	NKKZNHKESDUZRS-FOCLMDBBSA-N	431.967	5.428	70	10	IKIE	
O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Oc2ccccc2)cc1	217529504	KVHNSLOPCVAVRR-UHFFFAOYSA-N	429.442	5.003	70	10	IKIE	
COc1ccccc1OCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218606232	CKUTWHFAVVDIFM-UHFFFAOYSA-N	434.492	5.642	70	10	IKIE	
C#Cc1cc([B-](F)(F)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1C	1887522607	XNKJGPDOMGUNKH-UHFFFAOYSA-N	434.246	5.069	70	10	IKIE	
CN[C@@H](c1c(F)cccc1Br)c1csc2c(Br)cccc12	160865490	MUGFZSRIFPXILU-OAHLLOKOSA-N	429.152	5.874	70	10	IKIE	
CC(C)(C)OC(=O)Nc1cc([C@H](CS(=O)(=O)Cl)C2CC2)cc(C(F)(F)F)c1	1952697850	YPRRGPFXOABEBZ-CQSZACIVSA-N	427.872	5.115	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)c(Cl)nc(C(C)(C)S(=O)(=O)Cl)c1Cl	1953008875	JVOFEIQLPILDJR-UHFFFAOYSA-N	438.160	5.193	70	10	IKIE	
CCOc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1Cl	160168481	GHPISBZYHYEMFK-UHFFFAOYSA-N	433.527	5.516	70	10	IKIE	
C[C@@H]1CCC[C@@H](C)N1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298606	RZTPSBJFYHJLDP-HZPDHXFCSA-N	425.411	5.488	70	10	IKIE	
CCCCN(C(=O)CCl)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1	35072338	BBYVYOIWZNLSNM-SFHVURJKSA-N	447.966	5.467	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(C)c(C)c2)cc1	216662712	ONVIGIVVPBCVNF-UHFFFAOYSA-N	446.503	5.021	70	10	IKIE	
C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)Nc2ccccc2Sc2ccccc2)CC1=O	217283855	ANTQJZUJNLWJPS-ICSRJNTNSA-N	431.561	5.321	70	10	IKIE	
Cc1nc(-c2ccccc2NC(=O)c2cc3cc(Br)ccc3oc2=O)cs1	218574967	GGNYLNYKOMICJI-UHFFFAOYSA-N	441.306	5.240	70	10	IKIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281184	VGHQCTGAAZXNGS-KRWDZBQOSA-N	449.551	5.205	70	10	IKIE	
CC(=O)c1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298525	CABOLOUEWWWMQH-UHFFFAOYSA-N	447.373	5.540	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)NCOc4c(C)ccc(C)c4C)cc3)sc2c1	217295707	SGDUNWJYODMNSU-UHFFFAOYSA-N	431.561	6.355	70	10	IKIE	
CCN[C@@H](c1cc(Cl)c(Br)s1)c1c(F)cccc1Br	160861917	NXHKZBKLLCYBBM-LBPRGKRZSA-N	427.564	5.765	70	10	IKIE	
CC[C@@H](C)c1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217299156	FENYCMVBQYSYCW-CQSZACIVSA-N	439.781	6.207	70	10	IKIE	
CCOc1c(Br)cc(Cl)cc1NCc1ccc(Br)c(F)c1	161267711	GDVXBYHKVIESJQ-UHFFFAOYSA-N	437.534	6.015	70	10	IKIE	
CCN[C@@H](c1cc(C(F)(F)F)ccc1Br)c1sccc1Br	159755390	DGJRBYVOWXLLJO-LBPRGKRZSA-N	443.126	5.991	70	10	IKIE	
CCC[C@H](CC)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br	2381648385	BSRDYGFDZYEJLV-VIFPVBQESA-N	448.604	5.344	70	10	IKIE	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1[C@H](CS(=O)(=O)Cl)C1CC1	1952685798	CCCDFJWXFJNBHG-CYBMUJFWSA-N	427.872	5.115	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1I	160433462	GBXKOSIUKFMVHO-KRWDZBQOSA-N	434.148	5.881	70	10	IKIE	
COc1cc(Br)ccc1[C@H](N)c1csc2c(Br)cccc12	160656344	RMKARBJUIFOTMA-HNNXBMFYSA-N	427.161	5.483	70	10	IKIE	
Cc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1Cl	159996863	MZLVVYSHMVMOBM-UHFFFAOYSA-N	437.946	6.079	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OCC)c1OCC	217274584	GKMSIRPSQGOTCZ-UHFFFAOYSA-N	446.853	6.199	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(F)c(Cl)c1	217299094	MSRQCUIIJWRYAQ-UHFFFAOYSA-N	436.108	5.486	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)ccc(Cl)c1[C@H](CS(=O)(=O)Cl)C1CC1	1952682189	HJLBIYGHVNFDQZ-SNVBAGLBSA-N	428.765	5.403	70	10	IKIE	
Cc1cc(Br)ccc1Oc1ccc(S(=O)(=O)Cl)cc1Br	112632265	KWPGEKSHCHLVLP-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
O=C(N/C=C/c1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217796757	TYIOGLARRBDYGO-FOCLMDBBSA-N	431.967	5.428	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CC3CCCCC3)c2)cc1	216692739	PNFUXRCSTHBBCT-UHFFFAOYSA-N	438.524	5.061	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3cn[nH]c3c2)c(Br)c1	217298675	HTRWODVADAHNOH-UHFFFAOYSA-N	445.361	5.214	70	10	IKIE	
COc1ccc(C)cc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298942	LZUBJFLYBIARCE-UHFFFAOYSA-N	427.726	5.010	70	10	IKIE	
C#Cc1c(C)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1C	1887520800	GEJOTKKYPABGEY-UHFFFAOYSA-N	448.273	5.378	70	10	IKIE	
CC(C)(C)CCCOc1c(Br)cc(S(=O)(=O)F)cc1Br	2191430531	KQKDMBSPBMYATM-UHFFFAOYSA-N	432.149	5.075	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccccc2Br)cc1	217299605	FWCOADIMVXELHP-UHFFFAOYSA-N	433.390	5.057	70	10	IKIE	
O=S(=O)(Cl)c1cnc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)s1	514281795	ZNNOSSKDGUTDFJ-UHFFFAOYSA-N	431.964	6.005	70	10	IKIE	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)c1cc(Br)sc1Br	218403065	STJMGXOGTLFDEA-SUNKGSAMSA-N	438.225	5.933	70	10	IKIE	
Cc1cc(Br)cc2[nH]c(-c3cc(Br)ccc3Br)nc12	160866811	KJKSXZFNWVEHBN-UHFFFAOYSA-N	444.952	5.826	70	10	IKIE	
Cc1ccc(CNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298546	VTNLAICUWIEEED-UHFFFAOYSA-N	433.390	5.323	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)sc2c1	217304249	DLMJYEOZIQWUKA-UHFFFAOYSA-N	427.451	6.935	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(Br)o4)cc3)sc2c1	217280151	AZGPOWXEBDZHAV-UHFFFAOYSA-N	428.311	6.271	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1cccc2c(O)cccc12	217281164	MYMSMLQDPQYGEX-UHFFFAOYSA-N	429.476	5.118	70	10	IKIE	
COc1ccc(CNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298473	CWKABOGEAJYGPC-UHFFFAOYSA-N	449.389	5.024	70	10	IKIE	
CC(C)c1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1	217298825	XERRMFUFNQAXNL-UHFFFAOYSA-N	425.754	5.817	70	10	IKIE	
CCC(C)(C)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	696746388	BAWDVGRXVMBLPK-UHFFFAOYSA-N	448.604	5.344	70	10	IKIE	
CC(C)(C)OC(=O)N(CCCC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1)Cc1ccccc1	1990260480	BIUFDXKGTDAAIA-PGRDOPGGSA-N	439.307	5.044	70	10	IKIE	
CN[C@@H](c1cc(C)c(Br)s1)c1cc(C(F)(F)F)ccc1Br	159751899	FSLOEGAERICEPV-GFCCVEGCSA-N	443.126	5.909	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)NC3CCCCCCCCCCC3)cc2C1=O	217279574	WWGSBLIYWGXFTD-UHFFFAOYSA-N	427.589	5.733	70	10	IKIE	
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1Br	160352726	ZIPKCZFIAQPANU-PSASIEDQSA-N	429.074	5.063	70	10	IKIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	217286287	IOQGCRFLMYGGIB-UHFFFAOYSA-N	447.360	5.965	70	10	IKIE	
CC(C)CCCCOC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2156355358	QULHQJJELDRAAZ-UHFFFAOYSA-N	430.975	5.238	70	10	IKIE	
Cc1sc(Br)cc1[C@@H](N)c1cc(C(F)(F)F)ccc1Br	159750563	IRIPWWDZFTUABC-GFCCVEGCSA-N	429.099	5.648	70	10	IKIE	
Cc1cccc(C)c1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298726	JHRBZLGZDCIWIS-UHFFFAOYSA-N	433.390	5.954	70	10	IKIE	
CCOc1cc(NC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc(OCC)c1OCC	217274498	JFVPMVWDNOUJQM-QFIPXVFZSA-N	440.584	6.034	70	10	IKIE	
C[C@@H](N(Cc1ccccc1)C(=O)c1c(Cl)cccc1S(=O)(=O)Cl)C(C)(C)C	2152228518	XXKUZWLUQMUDCE-CQSZACIVSA-N	428.381	5.345	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)cc1Cl	2342485060	IHYAECUBZMJBHA-SNVBAGLBSA-N	426.051	5.404	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2cccc(Br)c2)cc1Cl	59148092	YRFPLLKXSCLYIV-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCC	217275153	FEUMETNIPNEGRN-UHFFFAOYSA-N	437.334	5.598	70	10	IKIE	
COCCCN1C(=O)c2ccc(NC(=O)NC3CCCCCCCCCCC3)cc2C1=O	217280811	NQRSLBZNPPYBND-UHFFFAOYSA-N	443.588	5.114	70	10	IKIE	
Cc1cc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)c(Cl)cc1Cl	217286886	NNUMBDKXIZXFJK-UHFFFAOYSA-N	430.338	5.092	70	10	IKIE	
CC(C)c1ccc(O[C@@H](C)NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	217296366	GOUMEJAABUMZSS-LBPRGKRZSA-N	434.380	6.394	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OCC)c1OCC	217274822	LPELGWJABXZSTH-UHFFFAOYSA-N	435.524	6.270	70	10	IKIE	
CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O)c1ccc2c(c1)CCCC2	217279534	ZPVRTHPCXHURCV-QHCPKHFHSA-N	433.552	5.090	70	10	IKIE	
O=C(c1ccsc1)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)s1	217293500	ZKQVRHNVXLLQIS-UHFFFAOYSA-N	440.771	5.387	70	10	IKIE	
Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1C	217293690	QSMRQVVPPJUIGW-UHFFFAOYSA-N	433.620	5.061	70	10	IKIE	
CC(C)C(OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)C(C)C	2286192205	XNAMQIFSUKEAHS-UHFFFAOYSA-N	430.975	5.092	70	10	IKIE	
CCN[C@H](c1ccc2cc(Br)ccc2c1)c1sccc1Br	159582064	FBBVQHGYOQISCE-MRXNPFEDSA-N	425.189	6.125	70	10	IKIE	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281113	ZWKKFPUDXMRXEY-UHFFFAOYSA-N	431.414	5.278	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CC3CCCCC3)cc2)cc1	216642747	XWKBTDDBEUZQOE-UHFFFAOYSA-N	438.524	5.061	70	10	IKIE	
CCCN[C@@H](c1cc(Br)sc1Br)c1cccc(C)c1Cl	160305664	ZMMCSLFNYQCVIR-CQSZACIVSA-N	437.628	6.324	70	10	IKIE	
CCOc1cc(NC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc(OCC)c1OCC	217274500	JFVPMVWDNOUJQM-JOCHJYFZSA-N	440.584	6.034	70	10	IKIE	
CN[C@H](Cc1ccc(F)cc1Cl)c1cc(Br)c(Br)s1	160598266	PNKACKPNRIRTKF-LLVKDONJSA-N	427.564	5.569	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Cl)cc1Cl)c1cccc(I)c1	160457160	XDTGSODBKJPBNA-KRWDZBQOSA-N	434.148	5.881	70	10	IKIE	
Cc1cc([C@H](O)c2cc(Br)ccc2Br)c(C)cc1Br	161045169	DDRYRCUQABCWRJ-HNNXBMFYSA-N	448.980	5.673	70	10	IKIE	
Cc1ccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298786	QHPFPYZSRSQVIS-UHFFFAOYSA-N	447.417	5.366	70	10	IKIE	
N[C@@H](Cc1ccc(Br)s1)c1ccc(Br)c(C(F)(F)F)c1	160695990	UOTJKPIROVALPW-NSHDSACASA-N	429.099	5.534	70	10	IKIE	
Nc1onc(-c2cc(Br)ccc2Br)c1-c1cccc(Cl)c1	160780422	HDHGVXBGGBIQHJ-UHFFFAOYSA-N	428.511	5.769	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C(\C)C(C)(C)C)cc2)cc1	216647181	YNYCIOFKSIIDAP-BMRADRMJSA-N	438.524	5.083	70	10	IKIE	
CCCCN(C(=O)CCCCl)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1C	35067242	ZCKYUIOMJWALSZ-LJQANCHMSA-N	439.987	5.403	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1cccc(I)c1	160367033	NVAHXMORSFSUDD-INIZCTEOSA-N	448.117	5.086	70	10	IKIE	
COc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC	218604147	YDPRYMKLEHEATJ-UHFFFAOYSA-N	434.492	5.886	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(F)cc2Br)c(Br)c1	109526861	OORIHAKWSCKVOM-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
CCOc1cc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC	217274444	HVRHTPQXVBOAIX-DUXBZUBYSA-N	430.589	5.609	70	10	IKIE	
C[C@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccccc1	217298471	HQGXANISNQPIGX-INIZCTEOSA-N	433.390	5.576	70	10	IKIE	
CCOc1cc(NC(=O)NC2CCCCCCCCCCC2)cc(OCC)c1OCC	217274611	OQSJNTIYQVNDIY-UHFFFAOYSA-N	434.621	6.678	70	10	IKIE	
CCCN[C@@H](c1cc(Br)c(Br)s1)c1cccc(C)c1Cl	160322960	CHXJUEGWLRAIGF-CQSZACIVSA-N	437.628	6.324	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)N(Cc3ccccc3)c3ccccc3)cc2C1=O	217280505	VWPIUPGFGAPCKQ-UHFFFAOYSA-N	427.504	5.320	70	10	IKIE	
CCCN[C@@H](Cc1cc(F)ccc1Br)c1cc(C)c(Br)s1	161489194	MGJNLVVOOHJQHF-AWEZNQCLSA-N	435.200	6.004	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)Nc1ccccc1Br	217272511	QCTHTNDGYGHHED-UHFFFAOYSA-N	431.071	5.006	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)cc1Cl	2342485059	IHYAECUBZMJBHA-JTQLQIEISA-N	426.051	5.404	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2c(F)cccc2Br)c(Br)c1	707042296	DRICPNXYVFCCAO-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
Clc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)ccc1OCc1ccccc1	217066596	NJBNZZZVVLVGEY-ATIYNZHBSA-N	431.967	5.441	70	10	IKIE	
Cc1ccc(C)c(OCNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C	217295444	DBBFVURQCBEMEL-UHFFFAOYSA-N	443.591	5.065	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1cccc(Cl)c1	59080073	AWVQKEQUEDTXSG-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCC(Cc2ccccc2)CC1	217281148	FFKCQNPAINGCHI-UHFFFAOYSA-N	445.563	5.102	70	10	IKIE	
CCOc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1	217298522	FXJUIAKUTGLXOM-UHFFFAOYSA-N	449.389	5.736	70	10	IKIE	
COc1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298416	ZXBREJGNKSDSGP-UHFFFAOYSA-N	435.362	5.346	70	10	IKIE	
Cc1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1C	217298527	GNCQYOBTLSVPIS-UHFFFAOYSA-N	433.390	5.954	70	10	IKIE	
CCCCCCCOC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2156354637	LCFULROAOPHZDH-UHFFFAOYSA-N	430.975	5.382	70	10	IKIE	
CC(C)(C)CCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	312169078	KVEPFRQVVXIZFW-UHFFFAOYSA-N	448.604	5.344	70	10	IKIE	
CCCN[C@@H](Cc1ccc(CC)s1)c1cc(Br)c(Br)s1	161098296	CKVBGMCERICBMR-ZDUSSCGKSA-N	437.266	6.180	70	10	IKIE	
Nc1noc(-c2cc(Br)ccc2Br)c1-c1ccccc1Cl	161307215	JUCCOWQSRVSJSQ-UHFFFAOYSA-N	428.511	5.769	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NC12CC3CC(CC(C3)C1)C2	217299110	IBVVJVFYXUTZPS-UHFFFAOYSA-N	441.797	5.139	70	10	IKIE	
Cc1cc(C)c(N[C@H](C)c2ccc(I)cc2)c(Br)c1	159672592	RAGCTUHSIYYQSU-GFCCVEGCSA-N	430.127	5.844	70	10	IKIE	
O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Br)ccc1Br	160357049	IQWQHBIBGIDURY-JQWIXIFHSA-N	429.074	5.063	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1cccc(Br)c1Cl	160788414	KJNSUFCPINVXCY-ZDUSSCGKSA-N	437.628	6.210	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(Cl)cc1[C@H](CS(=O)(=O)Cl)C1CC1	1952687215	SFHNCGUVKSOYTQ-GFCCVEGCSA-N	428.765	5.403	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1ccc(I)cc1	161340943	GFTDTJLNRYRJPU-INIZCTEOSA-N	448.117	5.086	70	10	IKIE	
CN[C@@H](CSc1ccccc1Br)c1c(Br)cnn1C(C)C	160774392	LXXDBWQDPYSRSS-ZDUSSCGKSA-N	433.213	5.042	70	10	IKIE	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC(=O)c1cc(Br)sc1Br	218403238	STJMGXOGTLFDEA-MJVIPROJSA-N	438.225	5.933	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)c1cc(Br)ccc1Br	160594975	JYSRCELHEBPZBI-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C1=O	217279564	UYNSBIAFRRGBFI-UHFFFAOYSA-N	439.821	5.255	70	10	IKIE	
CC[C@@H](NC(=O)c1cc(Br)ccc1Br)c1cccc(Cl)c1	160300166	GFOSWWGIWPPIPO-OAHLLOKOSA-N	431.555	5.746	70	10	IKIE	
Cc1nc2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2nc1C	217302138	SPGRVYPYPCCLGQ-UHFFFAOYSA-N	428.336	5.928	70	10	IKIE	
O=C(CC(c1ccccc1)c1ccccc1)NCCn1nc(C(F)(F)F)c2c1CCCC2	217530752	OEBBBVXTAZRPCY-UHFFFAOYSA-N	441.497	5.119	70	10	IKIE	
COc1cc(NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc(OC)c1OC	217268377	WBTBXNGMMIXMPQ-UHFFFAOYSA-N	449.532	5.942	70	10	IKIE	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218538819	OGWCFYDIKDZYLZ-LBPRGKRZSA-N	432.332	5.776	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1cc(Cl)ccc1Cl	115750240	HVGGXMDHUWVXRZ-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
Cc1cc(C(=O)c2cc(C(F)(F)F)ccc2Br)sc1Br	159732960	GFHKSKXZWAJJQU-UHFFFAOYSA-N	428.067	5.831	70	10	IKIE	
Cc1cc([C@@H](N)c2cc(C(F)(F)F)ccc2Br)sc1Br	159751730	MLERFUHORLIHPA-NSHDSACASA-N	429.099	5.648	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CC3CCCCC3)c2)cc1	216692804	FJPKXDQRSRGJGF-UHFFFAOYSA-N	438.524	5.061	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)N[C@H](C)Oc4ccc(C(C)C)cc4)cc3)sc2c1	217296478	MZBVKNXIVFEPJK-SFHVURJKSA-N	445.588	6.942	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)c(OCCC2CCCC2)c(Br)c1	302261507	ONUSDFDPSWSHFZ-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
CCOc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(C)C	217064842	HYFIULUDIAWYKG-YKSBVNFPSA-N	442.003	5.296	70	10	IKIE	
C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(Br)ccc1Br	160306045	YMRDNIKYVJVMRG-JTQLQIEISA-N	431.555	5.226	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CC2CCCCC2)cc1	216668223	JNWCBVYESNJRQC-UHFFFAOYSA-N	438.524	5.061	70	10	IKIE	
CN[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1C	159578046	WWHVOJGOIATNFE-QGZVFWFLSA-N	425.189	6.044	70	10	IKIE	
CCOc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(Cl)c1OC(C)C	217067929	YVKVZRKOQJAJLG-AUSIDOKSSA-N	427.976	5.048	70	10	IKIE	
CCCCN(C(=O)CCl)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1	35072339	BBYVYOIWZNLSNM-GOSISDBHSA-N	447.966	5.467	70	10	IKIE	
CCCCN(C(=O)CCCCl)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1C	35067240	ZCKYUIOMJWALSZ-IBGZPJMESA-N	439.987	5.403	70	10	IKIE	
Cc1cccc(-c2nc(N)c3cc(Br)cc(Br)c3n2)c1Cl	160474389	XZJKRSAHSPCWIB-UHFFFAOYSA-N	427.527	5.366	70	10	IKIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1	217266351	RLNWRCYMXQSMHZ-UHFFFAOYSA-N	447.516	6.451	70	10	IKIE	
Cc1nc2ccc(NC(=O)c3cc(Br)ccc3Br)cc2s1	160202777	LJRADDHQYAWGDU-UHFFFAOYSA-N	426.133	5.382	70	10	IKIE	
CSc1ccc(CN(C)C(=O)c2cc(Br)ccc2Br)cc1	160199504	VJXUKFBGRHDPJE-UHFFFAOYSA-N	429.177	5.206	70	10	IKIE	
CCCN[C@H](Cc1ccc(Cl)cc1Cl)c1cccc(I)c1	160457283	XDTGSODBKJPBNA-QGZVFWFLSA-N	434.148	5.881	70	10	IKIE	
CCCN[C@H](Cc1ccc(Cl)s1)c1cc(Br)c(Br)s1	160821272	CPJHJZXKJFNBEF-SNVBAGLBSA-N	443.657	6.271	70	10	IKIE	
CCOc1cc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)cc(OCC)c1OCC	217275110	ZFYMODDCWXOYRP-UHFFFAOYSA-N	438.908	5.197	70	10	IKIE	
C=C(C)CCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	2287376281	DIIKPJWCLPGGTJ-UHFFFAOYSA-N	446.588	5.264	70	10	IKIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1cccc(Br)c1Cl	160336718	OVFFRWHBZYTBCM-OAHLLOKOSA-N	435.562	5.897	70	10	IKIE	
Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1	217833227	ACADXBIJCFKDET-MRXNPFEDSA-N	444.457	5.550	70	10	IKIE	
CN[C@@H](c1cc(C(F)(F)F)ccc1Br)c1cc(Br)sc1C	159750847	JJAGDOBYRIOMBE-CYBMUJFWSA-N	443.126	5.909	70	10	IKIE	
C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C12CC3CC(CC(C3)C1)C2	217281162	NKYGPGOEVWOZPJ-UYTITELCSA-N	449.595	5.342	70	10	IKIE	
O=C(NCc1ccc(Br)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217315509	DERUHWODCXYVDE-UHFFFAOYSA-N	441.169	5.808	70	10	IKIE	
CCC(CC)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br	2363472267	PKWUIGCMRSEVFQ-UHFFFAOYSA-N	448.604	5.344	70	10	IKIE	
COc1ccc(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1	218605104	CTTVLYJCTXFLJT-UHFFFAOYSA-N	434.492	5.642	70	10	IKIE	
O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Br)ccc1Br	160356910	IQWQHBIBGIDURY-CMPLNLGQSA-N	429.074	5.063	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(C)cc2Br)cc(OCC)c1OCC	217275149	XPZNQWXHJSOXDO-UHFFFAOYSA-N	437.334	5.598	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	88270742	IPNSRKMVRDDACU-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CN[C@H](c1cc(C(F)(F)F)ccc1Br)c1cc(Br)sc1C	159750702	JJAGDOBYRIOMBE-ZDUSSCGKSA-N	443.126	5.909	70	10	IKIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc2noc(-c3ccccc3)c2c1	217286556	PRLHQXCHPOHXJM-UHFFFAOYSA-N	428.473	5.736	70	10	IKIE	
CC[C@H]1CCCCN1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298594	LZWXSTNOMJMHBI-KRWDZBQOSA-N	425.411	5.490	70	10	IKIE	
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1OC	216897436	RZIFWBYMLJXEII-UHFFFAOYSA-N	445.302	5.515	70	10	IKIE	
CC(C)c1cccc(NC(=O)c2cc(Br)ccc2I)c1	217478989	QOYYGECHACORCG-UHFFFAOYSA-N	444.110	5.429	70	10	IKIE	
O=S(=O)(c1ccc(CBr)cc1)N(CCc1ccccc1)Cc1ccccc1	148617390	KPOHYYJVBCTGBV-UHFFFAOYSA-N	444.394	5.015	70	10	IKIE	
CCCN[C@@H](Cc1ccncc1Cl)c1cc(Br)ccc1Br	160817747	DBTXPWBSBICCAX-INIZCTEOSA-N	432.587	5.543	70	10	IKIE	
C[C@@H](c1cccs1)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	2052596851	FAXMQFBOISLAQR-ZDUSSCGKSA-N	440.117	5.728	70	10	IKIE	
CC(C)[C@H](C)[C@@H](C)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2365432781	SOLMJIJCOGGTCI-UONOGXRCSA-N	430.975	5.092	70	10	IKIE	
CCN[C@H](c1cc(Cl)c(Br)s1)c1c(F)cccc1Br	160862050	NXHKZBKLLCYBBM-GFCCVEGCSA-N	427.564	5.765	70	10	IKIE	
O=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)ccc1Br	160356764	MULLYYMILDIIRW-UHFFFAOYSA-N	429.074	5.063	70	10	IKIE	
FC(F)(F)C(N=Nc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	1083986950	LTIGMDWXTQYVHX-UHFFFAOYSA-N	448.428	6.457	70	10	IKIE	
CCCN[C@H](c1cc(Br)sc1Br)c1cccc(C)c1Cl	160305561	ZMMCSLFNYQCVIR-AWEZNQCLSA-N	437.628	6.324	70	10	IKIE	
COC(=O)Cc1ccc(C#Cc2ccc(C(C)(C)O[SiH2]C(C)(C)C)c(C(C)C)c2)cc1	616220491	PQMJCNNSVDFZTH-UHFFFAOYSA-N	436.668	5.479	70	10	IKIE	
Cc1cc(C)c(B(c2ccc(OCc3ccccc3)cc2C)c2c(C)cc(C)cc2C)c(C)c1	205554688	BYHAKXLSMLKROM-UHFFFAOYSA-N	446.443	5.941	70	10	IKIE	
Cc1cc(Oc2cc(Br)cc(Br)c2)ccc1S(=O)(=O)Cl	2364048800	OSADBFWOCCUPSN-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2C1=O	217280575	JEHGACXDBPZTAR-UHFFFAOYSA-N	439.821	5.397	70	10	IKIE	
CCN(Cc1ccccc1)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298590	JZEJGUORKKFZEQ-UHFFFAOYSA-N	447.417	5.747	70	10	IKIE	
CC(C)(C)c1nc(-c2cc(F)cc(Cl)c2)nc(Cl)c1I	161171463	IUMDMTJIGCMBAN-UHFFFAOYSA-N	425.072	5.492	70	10	IKIE	
Cc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(C)c1	217298528	QNTZMWVEUNHDBA-UHFFFAOYSA-N	433.390	5.954	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc(Cl)c2)c(Br)c1	217298535	FTFRECHJBOOMKJ-UHFFFAOYSA-N	439.781	5.991	70	10	IKIE	
CCCCOC(=O)c1ccccc1NC(=O)Nc1cc(OCC)c(OCC)c(OCC)c1	217274562	UNDCPBPAXMSKEJ-UHFFFAOYSA-N	444.528	5.484	70	10	IKIE	
CCC(CC)N(CC(F)(F)F)C(=O)c1cc(Br)ccc1Br	160404054	MMPCWZJOEKXREG-UHFFFAOYSA-N	431.090	5.405	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)sc2c1	217275837	JJPZQWRZOWGDFW-UHFFFAOYSA-N	438.350	6.678	70	10	IKIE	
CCCC[C@@H](CC)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2286891122	FCHJKIMQXWLDLX-OAHLLOKOSA-N	430.975	5.380	70	10	IKIE	
CCOc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc(Cl)c1OC(C)C	217067896	YVKVZRKOQJAJLG-XXBNENTESA-N	427.976	5.048	70	10	IKIE	
Cc1c(Cl)cccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298833	CAQXWHQFSFNOGR-UHFFFAOYSA-N	432.145	5.655	70	10	IKIE	
Cc1cccc(C)c1OCCCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217298280	PYRICZJILIHQPQ-UHFFFAOYSA-N	434.380	5.932	70	10	IKIE	
CCCc1ccc(OCNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	217293648	GMLHMWOMTISGNN-UHFFFAOYSA-N	443.591	5.092	70	10	IKIE	
CC(C)c1ccc(O[C@H](C)NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	217296367	GOUMEJAABUMZSS-GFCCVEGCSA-N	434.380	6.394	70	10	IKIE	
CCN[C@@H](c1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	159743257	CICXAWMIDXYLCF-CYBMUJFWSA-N	443.126	5.991	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1cc(Br)ccc1Cl	160739988	SXRAEQGBJLBFSF-CQSZACIVSA-N	437.628	6.210	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1cccc(Br)c1Cl	160788532	KJNSUFCPINVXCY-CYBMUJFWSA-N	437.628	6.210	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)N2CCc3ccccc32)c(Br)c1	217298714	HZBIVPYBYYPMNA-UHFFFAOYSA-N	431.374	5.288	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc([C@@H](CS(=O)(=O)Cl)C2CC2)cc1Cl	1952685429	LXGFILNTZHAQIK-NSHDSACASA-N	428.765	5.403	70	10	IKIE	
CC[C@H]1c2ccsc2CCN1C(=O)c1cc(Br)ccc1Br	160396361	AEQKZHFWLLAJKO-AWEZNQCLSA-N	429.177	5.423	70	10	IKIE	
CCN(CC)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1	217281369	FCNOBQXRHCDWBF-UHFFFAOYSA-N	434.540	5.106	70	10	IKIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1ccc(Br)cc1Cl	160182353	FBLZGJWAUQCOKN-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
CC[C@H](NC(=O)c1cc(Br)ccc1Br)c1cccc(Cl)c1	160300057	GFOSWWGIWPPIPO-HNNXBMFYSA-N	431.555	5.746	70	10	IKIE	
Cc1cc([C@@H](O)c2cc(C(F)(F)F)ccc2Br)sc1Br	159827194	AOMUBMGLMKNYOL-NSHDSACASA-N	430.083	5.682	70	10	IKIE	
CCCN[C@H](c1cc(OC)cs1)c1cc(Br)sc1Br	161507151	UDZSSJYRMLXSFK-LBPRGKRZSA-N	425.211	5.432	70	10	IKIE	
CCCCOc1ccc(S(=O)(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1	218648543	UVMNIKLTGLYZLQ-UHFFFAOYSA-N	427.551	5.043	70	10	IKIE	
O=S(=O)(Cl)CCCCCCCOc1cc(Br)cc(Br)c1	2364047268	ZIPJIPYIPFTJJK-UHFFFAOYSA-N	448.604	5.110	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NCc1ccc(Cl)cc1	217298880	YCHWAQZTMPMMDE-UHFFFAOYSA-N	432.145	5.024	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(F)c(Br)c2)c(Br)c1	137540751	PUDUNWHIKRSJSM-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
CN[C@@H](Cc1nc2ccccc2s1)c1cc(Br)ccc1Br	160803305	OKWFKIRHEYBGMF-AWEZNQCLSA-N	426.177	5.325	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2Cl)c(Cl)c1	168054339	LRSVCVFKUQDHCY-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c([C@H](CS(=O)(=O)Cl)C2CC2)cccc1C(F)(F)F	1952690437	UMPABUIJUGQQPJ-GFCCVEGCSA-N	427.872	5.115	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1ccccc1I	160335033	WEKKXVMHLCZKOI-INIZCTEOSA-N	448.117	5.086	70	10	IKIE	
CCCN[C@H](Cc1ccc(Cl)s1)c1cc(Br)ccc1Br	160877147	RVCWZMPKFKNTKI-CQSZACIVSA-N	437.628	6.210	70	10	IKIE	
COc1cc(Br)c(OCc2cnc(Cl)cc2Cl)cc1Br	159833741	XRCNVGYCWHADEH-UHFFFAOYSA-N	441.934	5.501	70	10	IKIE	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1[C@@H](CS(=O)(=O)Cl)C1CC1	1952685799	CCCDFJWXFJNBHG-ZDUSSCGKSA-N	427.872	5.115	70	10	IKIE	
CCCCC[C@H](C)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2236276042	SDBGXTKGXLEYLE-AWEZNQCLSA-N	430.975	5.380	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Cl)s1)c1cc(Br)c(Br)s1	160821149	CPJHJZXKJFNBEF-JTQLQIEISA-N	443.657	6.271	70	10	IKIE	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1[C@@H](CS(=O)(=O)Cl)C1CC1	1952683467	WNHZHTOOQMRARW-ZDUSSCGKSA-N	427.872	5.115	70	10	IKIE	
CCOc1cc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC	217274447	HVRHTPQXVBOAIX-ASXFNGKXSA-N	430.589	5.609	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3nc[nH]c3c2)c(Br)c1	217298664	FFEVSCIRTGRSDM-UHFFFAOYSA-N	445.361	5.214	70	10	IKIE	
C=Cc1cc(-c2ccccn2)nc(-c2cccc(-c3cc(C=C)cc(-c4ccccn4)n3)n2)c1	218569549	YKLGGUCHGZCHTR-UHFFFAOYSA-N	439.522	6.616	70	10	IKIE	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Br)ccc1Br	160384480	FTQVFBBFCQXDHS-SNVBAGLBSA-N	431.555	5.698	70	10	IKIE	
COc1cc(Br)ccc1[C@H](O)c1csc2c(Br)cccc12	160758541	HWLSZGHOOYPTCI-HNNXBMFYSA-N	428.145	5.517	70	10	IKIE	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCC(=O)c1cc(Br)sc1Br	218403313	STJMGXOGTLFDEA-WDMOLILDSA-N	438.225	5.933	70	10	IKIE	
N[C@H](c1cc(Cl)c(Br)s1)c1cc(C(F)(F)F)ccc1Br	159753751	KCHZEZGUNDSHNR-JTQLQIEISA-N	449.517	5.993	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)Nc1cccc(Br)c1	217275710	IRDXDWILAXSBGD-UHFFFAOYSA-N	431.071	5.006	70	10	IKIE	
CC1(OC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)CCCCC1	2287247077	WAUSMNIPYNBJBH-UHFFFAOYSA-N	428.959	5.134	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)ccn2)c(Br)c1	217298794	QCLWBGVDWYXHEA-UHFFFAOYSA-N	440.769	5.386	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1Cl	2190461189	RFSXDFUKCSVOCF-NSHDSACASA-N	440.078	5.794	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccccc1Cl	59080070	URHFZRZFYDYOIM-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCCC[C@@H](CC)CNS(=O)(=O)c1cc(Br)c(C)cc1Br	159615365	UZQJIRKAROPJER-GFCCVEGCSA-N	441.229	5.015	70	10	IKIE	
CC(C)(C)CC(C)(C)NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298624	LYEAJFUSFHTMDP-UHFFFAOYSA-N	441.454	6.030	70	10	IKIE	
COc1cc(Cl)c(C(=O)c2cc(Br)ccc2Br)cc1OC	159757451	KDVAZISVFXJTHY-UHFFFAOYSA-N	434.511	5.113	70	10	IKIE	
COc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)ccc1OCc1ccc(C)cc1	217064923	CYLRLRKLSKQBGO-YWEHKCAJSA-N	441.575	5.105	70	10	IKIE	
Cc1cc(C)cc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298693	IEGANLBUQYWGCI-UHFFFAOYSA-N	433.390	5.954	70	10	IKIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(OCC)c(OCC)c(OCC)c1	217274495	VAXZGLQXYYBDTR-QGZVFWFLSA-N	430.545	5.473	70	10	IKIE	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(Br)ccc1Br	160451019	UVOFVWMDWIHQIU-JTQLQIEISA-N	431.555	5.698	70	10	IKIE	
CCCCCC[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br	159606938	VZCSVBQCKYHAMR-LBPRGKRZSA-N	441.229	5.157	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCCc2ccccc2)c(Br)c1	217298796	RYMJBRHJAGEJSR-UHFFFAOYSA-N	447.417	5.448	70	10	IKIE	
CSc1cccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)c1	217298971	UZUPBWCQOLFMLL-UHFFFAOYSA-N	429.767	5.415	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1ccc(Br)cc1Cl	161308924	LWVPFZBVCRHDLC-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
O=C(NCCCOc1ccccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217300110	XXXKDVRBMALDLN-UHFFFAOYSA-N	440.771	5.968	70	10	IKIE	
Cc1cc(Br)cc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	2168700510	PVOWLGUSOXUYEX-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1ccccc1Cl	160746612	PFBXRBNORCYDDV-UHFFFAOYSA-N	427.527	5.504	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)N[C@@H](C)Oc4ccccc4C(C)C)cc3)sc2c1	217292362	CLMDVGQEFXWJER-GOSISDBHSA-N	445.588	6.942	70	10	IKIE	
Cc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(O)c1	217298719	FRYGWUUSBRIDCK-UHFFFAOYSA-N	435.362	5.351	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NCc1cccc(Cl)c1	217299184	FMYNMODQRUNUBG-UHFFFAOYSA-N	432.145	5.024	70	10	IKIE	
CN[C@H](c1cc(C(F)(F)F)ccc1Br)c1sccc1Br	159755249	DYINPJNXOHEWHG-LLVKDONJSA-N	429.099	5.601	70	10	IKIE	
O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Br)ccc1Br	160357174	IQWQHBIBGIDURY-ZYHUDNBSSA-N	429.074	5.063	70	10	IKIE	
Cc1ccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c(Br)c1	161075720	GJWDCHHPPMAQDC-UHFFFAOYSA-N	437.946	6.079	70	10	IKIE	
CC(C)(C)c1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	217301199	OGKIBIRYMRCGIC-UHFFFAOYSA-N	427.592	5.923	70	10	IKIE	
CN[C@H](c1cc2ccc(F)cc2s1)c1cc(Br)sc1Br	161141062	PNHQTDBAGVBKQZ-ZDUSSCGKSA-N	435.181	5.936	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Nc4ccccc4)cc3)cc2C1=O	217280471	PTGDZVSBONMXKG-UHFFFAOYSA-N	428.492	5.469	70	10	IKIE	
O=C(NCc1ccc(Br)s1)c1ccc2cc(Br)ccc2c1	159591060	FREPSHDGSBFVHS-UHFFFAOYSA-N	425.145	5.356	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(F)cc2F)c(Br)c1	217298754	GXKWGRMXPSTKAZ-UHFFFAOYSA-N	441.316	5.615	70	10	IKIE	
Cl[Si](Cl)(Cl)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1	2295064244	WUKVDABFFOSQEJ-UHFFFAOYSA-N	446.881	6.034	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1	217299419	QGQMPHRMILQXIL-UHFFFAOYSA-N	430.592	6.165	70	10	IKIE	
CCN[C@@H](c1ccc2cc(Br)ccc2c1)c1sccc1Br	159581943	FBBVQHGYOQISCE-INIZCTEOSA-N	425.189	6.125	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(Br)cc1Cl	168055140	XOMMUPOINDKDQC-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)cc1C(=O)O	1887519006	DWTSPGRIRRMNAB-UHFFFAOYSA-N	440.206	5.109	70	10	IKIE	
O=C(Nc1cccc(Br)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281354	YIIZDPKDXIHJID-UHFFFAOYSA-N	442.313	5.022	70	10	IKIE	
CCCCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1	217299347	UQVIXQNGRJZQQW-UHFFFAOYSA-N	426.557	5.532	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	88270497	JNBPLEMIZCXNGD-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CC(C)[C@@H](C)[C@@H](C)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2365432782	SOLMJIJCOGGTCI-ZIAGYGMSSA-N	430.975	5.092	70	10	IKIE	
Cc1cc([C@H](N)c2cc(Br)ccc2Br)c(C)cc1Br	159869533	UVBXVSNWLPICDY-HNNXBMFYSA-N	447.996	5.639	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)Nc1ccc(Br)cc1	217273424	SVZBRHILIJKOHH-UHFFFAOYSA-N	431.071	5.006	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1	160518298	DMGSDNLWHCGKNW-KRWDZBQOSA-N	434.148	5.881	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Cl)c1cc(Br)c(Br)s1	160626967	CHJPUUARIKXHCY-LBPRGKRZSA-N	441.591	5.959	70	10	IKIE	
CC(C)c1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298836	YKVCDLFOMUZDNL-UHFFFAOYSA-N	425.754	5.817	70	10	IKIE	
COc1ccccc1CNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298704	NIJNOGIRKDUVRP-UHFFFAOYSA-N	449.389	5.024	70	10	IKIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)c1cc(Br)sc1Br	218403148	STJMGXOGTLFDEA-GYSYKLTISA-N	438.225	5.933	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)c(OCCCCC2CC2)c(Br)c1	2235462850	KBIPXKIQFMIJHU-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2C1=O	217279629	WSVFBCZOGHBMFH-UHFFFAOYSA-N	441.531	5.173	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2cc(Br)ccc2F)c(Br)c1	164911103	OONCDDVZZPZJOC-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
Cc1cc(Br)c(N[C@@H]2C[C@H](C)Sc3sccc32)c(Br)c1	217000455	SYCDJGQKCDAFKB-TVQRCGJNSA-N	433.234	6.619	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Br)c(F)c2)c(Br)c1	115690120	CEKIPKKZJNRVSM-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(Br)ccc1Br	160326568	QAYLKIZAMWBQCI-SNVBAGLBSA-N	431.555	5.226	70	10	IKIE	
CCN[C@H](c1cc(Cl)c(Br)s1)c1ccc(Br)cc1OC	160654587	ZTWJKUCYUOENJH-ZDUSSCGKSA-N	439.600	5.634	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccccc1Br	217281397	UJGCBBBPJUXIMG-UHFFFAOYSA-N	442.313	5.022	70	10	IKIE	
CCCN[C@H](c1cc(Br)sc1Br)c1sccc1OC	161506999	MHLVFICPBBFURS-LLVKDONJSA-N	425.211	5.432	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1ccc(OC)c(Br)c1	160687860	JKJGXOCLVLZJJJ-CQSZACIVSA-N	433.209	5.565	70	10	IKIE	
Fc1cc(Cl)cc(-c2nc(Cl)c(I)c(C3CCCC3)n2)c1	161173470	GRMVZCNLKBXOSW-UHFFFAOYSA-N	437.083	5.852	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)NCOc1cc(C)c(Cl)c(C)c1	217290441	OUBGODJOQBEKEB-UHFFFAOYSA-N	444.700	5.028	70	10	IKIE	
COc1ccc(C)cc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298529	UDFGGSLINNPVRJ-UHFFFAOYSA-N	449.389	5.654	70	10	IKIE	
O=C(Nc1cc(Cl)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217302645	KOVIDIJGLPMICF-UHFFFAOYSA-N	440.374	5.933	70	10	IKIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2ccccc2Br)c(Cl)c1	102959070	DYLCATFGHUOQRM-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OCC)c1OCC	217275104	QBBZKPWDOVFWOQ-UHFFFAOYSA-N	446.853	6.199	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)Nc1ccc(-c2ccccc2)cc1	217268987	LECSJYDSGZQQEQ-UHFFFAOYSA-N	428.273	5.911	70	10	IKIE	
CCC(C)(C)CCOc1c(Br)cc(S(=O)(=O)F)cc1Br	2191435316	UYTMLTIINZNCGA-UHFFFAOYSA-N	432.149	5.075	70	10	IKIE	
Cc1cc(Br)c([C@H](O)c2cc(C(F)(F)F)ccc2Br)s1	159825960	VNHVMQKLXAIVMY-LLVKDONJSA-N	430.083	5.682	70	10	IKIE	
CCCN[C@@H](c1ccc(Br)cc1OC)c1cc(Br)sc1C	160650957	RXNLOWBIMSXRTO-INIZCTEOSA-N	433.209	5.679	70	10	IKIE	
CN[C@@H](c1cc(Br)ccc1Br)c1cc(Cl)cc2c1OCC2	159906631	VXSGXKUGKWJDLP-HNNXBMFYSA-N	431.555	5.109	70	10	IKIE	
COc1cc(Br)ccc1[C@@H](O)c1csc2c(Br)cccc12	160758664	HWLSZGHOOYPTCI-OAHLLOKOSA-N	428.145	5.517	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)NCCCOc4c(C)cccc4C)cc3)sc2c1	217298305	PLGWKVXRWZILBK-UHFFFAOYSA-N	445.588	6.479	70	10	IKIE	
C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(Br)ccc1Br	160451140	UVOFVWMDWIHQIU-SNVBAGLBSA-N	431.555	5.698	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C(\C)C(C)(C)C)c2)cc1	216697035	WDSIKJOJQGGKJL-SAPNQHFASA-N	438.524	5.083	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Cl	160365094	LXJPATZSYAVPBU-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C1=O	217279151	UGMKCGYDQGEONB-UHFFFAOYSA-N	425.794	5.007	70	10	IKIE	
Cc1cccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298781	UKUNMFAZNZHRRC-UHFFFAOYSA-N	447.417	5.366	70	10	IKIE	
CCN[C@@H](c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1	161157633	VSZVLGPMVUVLKH-CQSZACIVSA-N	449.208	6.326	70	10	IKIE	
O=C(NCCc1cccc(Br)c1)Nc1ccccc1Sc1ccccc1	217480550	ZPANHCJBLFHCGR-UHFFFAOYSA-N	427.367	5.965	70	10	IKIE	
CSc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2Br)cc1	160323324	HRWSNDMSAANSJA-JTQLQIEISA-N	429.177	5.425	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)N[C@H](C)Oc1ccc(C(C)C)cc1	217296080	BPMGBBXPYXUUPT-AWEZNQCLSA-N	438.309	5.270	70	10	IKIE	
CCN[C@@H](c1cc(C)c(Cl)cc1C)c1cc(Br)ccc1Br	159873411	CPCDTZZKUYCLBE-KRWDZBQOSA-N	431.599	6.181	70	10	IKIE	
Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1	217833151	ACADXBIJCFKDET-INIZCTEOSA-N	444.457	5.550	70	10	IKIE	
Cc1cc(C)c(NC(=O)NCCCOc2ccc(Br)cc2Cl)c(Cl)c1	217299133	NEZFXCJUSUCWAI-UHFFFAOYSA-N	446.172	5.963	70	10	IKIE	
COc1ccc(Br)cc1[C@H](N)c1cc(Br)ccc1Br	159808061	AXLLAOMYFAWVQJ-CQSZACIVSA-N	449.968	5.031	70	10	IKIE	
COc1ccccc1S(=O)(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218673025	ADCFFLLRXRAOFF-UHFFFAOYSA-N	440.521	5.426	70	10	IKIE	
Cc1ccc(Br)cc1Oc1ccc(S(=O)(=O)Cl)cc1Br	228332134	BJBOIPRZYVOTRD-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
CN[C@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br	160528236	WMAQHKHRILPYLA-OAHLLOKOSA-N	437.990	6.022	70	10	IKIE	
CN[C@@H](Cc1ccc(C(C)(C)C)cc1)c1cc(Br)c(Br)s1	161281054	LIGMOLVBOULBJN-AWEZNQCLSA-N	431.237	6.074	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccccc2F)c(Br)c1	217298700	LIGQYTGNYCASHJ-UHFFFAOYSA-N	437.353	5.154	70	10	IKIE	
CCCN[C@H](c1cc(Cl)c(Br)s1)c1ccc(C)cc1Br	161047530	PBZKVDSXYSDYSV-AWEZNQCLSA-N	437.628	6.324	70	10	IKIE	
CC(C)Cc1nc(-c2cc(F)cc(Cl)c2)nc(Cl)c1I	161172655	PRJFILXVFGXBSI-UHFFFAOYSA-N	425.072	5.393	70	10	IKIE	
CCCN[C@@H](c1cc(Cl)c(Br)s1)c1cc(C)ccc1Br	161471419	ZGAZPUBILMMBGK-CQSZACIVSA-N	437.628	6.324	70	10	IKIE	
Cc1sc(Br)cc1[C@@H](O)c1cc(C(F)(F)F)ccc1Br	159826356	OVGDTJMBRXDCPB-GFCCVEGCSA-N	430.083	5.682	70	10	IKIE	
CCCN[C@H](c1ccc(Br)cc1OC)c1cc(Br)sc1C	160651082	RXNLOWBIMSXRTO-MRXNPFEDSA-N	433.209	5.679	70	10	IKIE	
COc1ccc(Cl)cc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298844	AGDKUVHSEHFZJA-UHFFFAOYSA-N	448.144	5.355	70	10	IKIE	
C[C@H](Cc1ccccc1Cl)NC(=O)c1cc(Br)ccc1Br	160306173	YMRDNIKYVJVMRG-SNVBAGLBSA-N	431.555	5.226	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1c(F)cc(Br)cc1F	160755207	FYILDCSPPZDAEV-CYBMUJFWSA-N	439.163	5.835	70	10	IKIE	
Cc1nc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)sc1C	217298673	PPKZLNWLMZVOEU-UHFFFAOYSA-N	440.407	5.411	70	10	IKIE	
CCC[C@@H](CC)COc1c(Br)cc(S(=O)(=O)F)cc1Br	2381651218	XUKAEYRIRDVPJI-SECBINFHSA-N	432.149	5.075	70	10	IKIE	
CN[C@H](c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1	161157256	NYVQQKSSDGNPFH-ZDUSSCGKSA-N	435.181	5.936	70	10	IKIE	
CCCCCN(C(C)C)S(=O)(=O)c1cc(Br)c(C)cc1Br	159600029	VEIRKWWXMXMFAJ-UHFFFAOYSA-N	441.229	5.109	70	10	IKIE	
N[C@H](Cc1ccc(OC(F)(F)F)cc1)c1cc(Br)c(Br)s1	161452781	PCLKACVDVXAJIS-SNVBAGLBSA-N	445.098	5.414	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2C1=O	217280450	CJYBMKBEXKLSEC-UHFFFAOYSA-N	441.531	5.315	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)sc2c1	217269201	CSCXORJRFBEXRW-UHFFFAOYSA-N	435.552	7.583	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccc(Cl)cc1Cl	217281120	FYWFLWOOPXUCFY-UHFFFAOYSA-N	432.307	5.566	70	10	IKIE	
FC(F)(F)C(F)(F)CCCSCCCCCCCCCI	59185662	RHCLPIUNVFKQPI-UHFFFAOYSA-N	446.307	6.863	70	10	IKIE	in-vitro
COc1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1Cl	217298839	ZDGARILCMUACTG-UHFFFAOYSA-N	448.144	5.355	70	10	IKIE	
O=C(Nc1ccc(-n2cccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217303199	GFQAFBPAOMKJCQ-UHFFFAOYSA-N	436.559	5.416	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(C)c(C)c3)c2)cc1	216687176	ZUSZRNLKECYMGD-UHFFFAOYSA-N	446.503	5.021	70	10	IKIE	
COc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)ccc1OCc1ccc(C)cc1	217064955	CYLRLRKLSKQBGO-UFHPHHKVSA-N	441.575	5.105	70	10	IKIE	
Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1cccc(Cl)c1	160730844	CPVIMBLEXCVPON-UHFFFAOYSA-N	427.527	5.504	70	10	IKIE	
CCN[C@H](c1cc(Br)ccc1Br)c1cc(Cl)sc1Cl	159837369	DGFJTGOQWAXSIN-GFCCVEGCSA-N	444.019	6.279	70	10	IKIE	
Fc1cc(CNc2cc(Br)cc(C(F)(F)F)c2)ccc1Br	161324913	JPMVPPJFILBELK-UHFFFAOYSA-N	427.033	5.982	70	10	IKIE	
Nc1noc(-c2cc(Br)ccc2Br)c1-c1ccc(Cl)cc1	161307899	SYXIXECBYXRNHK-UHFFFAOYSA-N	428.511	5.769	70	10	IKIE	
COc1ccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1OCc1ccc(C)cc1	217064985	AXLVKVYPSZLZML-YWEHKCAJSA-N	441.575	5.105	70	10	IKIE	
COc1cc(Cl)c([C@@H](N)c2cc(Br)ccc2Br)cc1Cl	159902107	DQULOKFZNLQUHN-AWEZNQCLSA-N	439.962	5.575	70	10	IKIE	
CCN[C@H](Cc1cc(F)ccc1Br)c1ccc(Br)c(Cl)c1	161493855	IZOXHJPYKZPXQQ-MRXNPFEDSA-N	435.562	5.897	70	10	IKIE	
CCOc1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1	217298935	PZVNXNRMGBDKHJ-UHFFFAOYSA-N	427.726	5.092	70	10	IKIE	
O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccccc1Oc1ccccc1	217491491	PCGMRVZYWRGUHG-UHFFFAOYSA-N	438.531	5.046	70	10	IKIE	
Cc1sc(Br)cc1[C@H](O)c1cc(C(F)(F)F)ccc1Br	159826238	OVGDTJMBRXDCPB-LBPRGKRZSA-N	430.083	5.682	70	10	IKIE	
CN(C)c1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298662	OFIBSCXIUFGTOB-UHFFFAOYSA-N	448.405	5.403	70	10	IKIE	
CCOc1cc(NC(=O)N(Cc2ccccc2)c2ccccc2)cc(OCC)c1OCC	217274916	DRGVGGHFPRDMRP-UHFFFAOYSA-N	434.536	6.121	70	10	IKIE	
O=C(c1cc(Cl)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)C1CCCCC1	2152242743	LTYLXRKEOUCZBF-UHFFFAOYSA-N	426.365	5.243	70	10	IKIE	
Cc1csc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)n1	217298553	YMPWJFURDMJWLS-UHFFFAOYSA-N	426.380	5.102	70	10	IKIE	
Cc1sc(Br)cc1[C@H](N)c1cc(C(F)(F)F)ccc1Br	159750431	IRIPWWDZFTUABC-LBPRGKRZSA-N	429.099	5.648	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cccc2cccnc12	217299111	AYWYXSJLDJUTRX-UHFFFAOYSA-N	434.721	5.241	70	10	IKIE	
Cc1ccc(Br)c(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1	161484208	SBYFAMCSTLCJKY-UHFFFAOYSA-N	437.946	6.079	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)sc2c1	217302736	VRFWLVHJCYBFRW-UHFFFAOYSA-N	428.344	7.223	70	10	IKIE	
Cc1cc([C@@H](O)c2cc(Br)ccc2Br)c(C)cc1Br	161045296	DDRYRCUQABCWRJ-OAHLLOKOSA-N	448.980	5.673	70	10	IKIE	
CN[C@@H](CSc1ccc(Br)cc1)c1c(Br)cnn1C(C)C	160692662	MFIAKCNWQXRXGB-AWEZNQCLSA-N	433.213	5.042	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1ccccc1I	161382533	VLSAFJWYHNLDOH-MRXNPFEDSA-N	448.117	5.086	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc5nc(C)c(C)nc5c4)cc3)sc2c1	217302168	LJOUCWARRGPPKN-UHFFFAOYSA-N	439.544	6.476	70	10	IKIE	
CCOc1cc(NC(=O)Nc2ccc(N(CC)CC)cc2C)cc(OCC)c1OCC	217275121	AQJDGSNWBLFJPM-UHFFFAOYSA-N	429.561	5.681	70	10	IKIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1ccc(Br)c(Cl)c1	161321056	HZMUMGCGMYWYEF-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
Cc1cc([C@H](N)c2cc(C(F)(F)F)ccc2Br)sc1Br	159751595	MLERFUHORLIHPA-LLVKDONJSA-N	429.099	5.648	70	10	IKIE	
Cc1cccc(CNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1	217298770	CWZATAYEDBQNOF-UHFFFAOYSA-N	433.390	5.323	70	10	IKIE	
N[C@H](c1cc(Br)ccc1Br)c1ccc(Cl)c2ccccc12	159882264	MIADEEIHQWEJRD-KRWDZBQOSA-N	425.551	6.066	70	10	IKIE	
CN[C@H](c1cc2ccc(F)cc2s1)c1cc(Br)ccc1Br	161138318	LMVZNYKIFBHYPY-INIZCTEOSA-N	429.152	5.874	70	10	IKIE	
CCCCN(CCCC)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298603	TXIPMEBEXAURHJ-UHFFFAOYSA-N	441.454	6.127	70	10	IKIE	
O=C(NCCc1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1	217543388	BFSGQZDVICXJAH-UHFFFAOYSA-N	427.367	5.965	70	10	IKIE	
CCN[C@@H](c1cc2ccc(F)cc2s1)c1cc(Br)sc1Br	161143952	VRFDATGVPVAYAV-CQSZACIVSA-N	449.208	6.326	70	10	IKIE	
CCN[C@@H](c1cc(Br)c(C)cc1Br)c1cccc(C)c1Cl	160325074	XLLPHIGZIPLIMK-QGZVFWFLSA-N	431.599	6.181	70	10	IKIE	
C[C@@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Oc1ccc(Cl)cc1	217294549	JBCAALSTSZKVRW-FQEVSTJZSA-N	449.982	5.182	70	10	IKIE	
Cc1ccc(OCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)(C)C)c1	217290172	WMUMAZSZXXIFFJ-UHFFFAOYSA-N	448.407	6.488	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2c(Cl)cccc2Cl)c(Br)c1	59100012	NRMDRQCNXPLAJR-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CC[C@H](NC(=O)Nc1ccccc1I)c1ccc2c(c1)CCCC2	217272819	PXFHXUHTDDKXGU-SFHVURJKSA-N	434.321	5.443	70	10	IKIE	
CCCN[C@H](c1cc(Cl)c(Br)s1)c1c(F)cccc1Br	160862317	BJTFUXXEHHGWCQ-CYBMUJFWSA-N	441.591	6.155	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O	217280361	KSPYYNOEMJYHBK-UHFFFAOYSA-N	429.476	5.517	70	10	IKIE	
COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281415	KULQEOAQKIDWJB-UHFFFAOYSA-N	441.915	5.230	70	10	IKIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1c(Cl)cccc1Cl	217281409	JMARZBJRLPKUNK-UHFFFAOYSA-N	432.307	5.566	70	10	IKIE	
CCCC1(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)CC1	2195193282	FLYHXBFLKYBYLU-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
CN[C@H](CSc1ccccc1Br)c1c(Br)cnn1C(C)C	160774266	LXXDBWQDPYSRSS-CYBMUJFWSA-N	433.213	5.042	70	10	IKIE	
Cc1ccc(OCNC(=O)Nc2ccc(I)cc2)c(C(C)(C)C)c1	217290209	HCWOZBPVJUGCLD-UHFFFAOYSA-N	438.309	5.055	70	10	IKIE	
CN[C@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)s1	160494711	NWIQHGWZQCDGLC-LLVKDONJSA-N	444.019	6.083	70	10	IKIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(OCC)c(OCC)c(OCC)c1	217274492	VAXZGLQXYYBDTR-KRWDZBQOSA-N	430.545	5.473	70	10	IKIE	
CCOc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1Br	160184847	XRQIRVYSMKXNDW-UHFFFAOYSA-N	433.527	5.516	70	10	IKIE	
CN[C@H](c1c(F)cccc1Br)c1csc2c(Br)cccc12	160865356	MUGFZSRIFPXILU-HNNXBMFYSA-N	429.152	5.874	70	10	IKIE	
O=C(N[C@@H](c1ccccc1)C1(CS(=O)(=O)Cl)CCCCC1)OCc1ccccc1	757174862	CUIIPBGEQFDYHQ-FQEVSTJZSA-N	435.973	5.173	70	10	IKIE	
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1Br	160352870	ZIPKCZFIAQPANU-SCZZXKLOSA-N	429.074	5.063	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(Nc4ccccc4)cc3)cc2C1=O	217279650	ZVYIKXUIPSYMJK-UHFFFAOYSA-N	428.492	5.326	70	10	IKIE	
CN[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1C	159578157	WWHVOJGOIATNFE-KRWDZBQOSA-N	425.189	6.044	70	10	IKIE	
COc1ccc(C(=O)c2cc(Br)ccc2Br)c(OC)c1Cl	159792547	JWQGEXQZRSUZAA-UHFFFAOYSA-N	434.511	5.113	70	10	IKIE	
Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)O)cc1[B-](F)(F)F	1887519046	JWVINTUXSCLDKO-UHFFFAOYSA-N	440.206	5.109	70	10	IKIE	
CN[C@@H](Cc1ccc(Br)s1)c1ccc2cc(Br)ccc2c1	160802416	PXZIJUWVASQFMB-INIZCTEOSA-N	425.189	5.930	70	10	IKIE	
COC(=O)c1sc(-c2cc(Br)ccc2Br)c(C(C)C)c1N	160843989	BGCAEOAVZAXRIQ-UHFFFAOYSA-N	433.165	5.432	70	10	IKIE	
N[C@H](Cc1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	160675116	ZYTCPBGCMGWXMB-LLVKDONJSA-N	429.099	5.534	70	10	IKIE	
CCCCN([C@H](C)CC)S(=O)(=O)c1cc(Br)c(C)cc1Br	159599891	CLSRIKJRQCCMCE-GFCCVEGCSA-N	441.229	5.109	70	10	IKIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2C1=O	217279540	DOFRTYZPYIKYAU-UHFFFAOYSA-N	429.476	5.375	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1cc(Br)ccc1Cl	160739858	SXRAEQGBJLBFSF-AWEZNQCLSA-N	437.628	6.210	70	10	IKIE	
CCOc1cc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc(OCC)c1OCC	217288832	ZUKAQCCJLNORND-LJQANCHMSA-N	429.532	5.432	70	10	IKIE	
Cc1cccc(C(C)C)c1NC(=O)NCCCOc1ccc(Br)cc1Cl	217298830	YEGCGFCLRKUOTG-UHFFFAOYSA-N	439.781	6.125	70	10	IKIE	
Cc1sc(-c2ccc(Cl)c(Br)c2)nc1-c1ccccc1Br	159381436	IZXAGBVFMLSKSD-UHFFFAOYSA-N	443.591	6.964	70	10	IKIE	
O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(Br)ccc1Br	160357307	IQWQHBIBGIDURY-PWSUYJOCSA-N	429.074	5.063	70	10	IKIE	
COc1cc(Br)ccc1C(=O)c1csc2c(Br)cccc12	160615947	SVPSDPIFUZKRNZ-UHFFFAOYSA-N	426.129	5.666	70	10	IKIE	
Cc1sc(Br)cc1C(=O)c1cc(C(F)(F)F)ccc1Br	159732373	BYQQSYQLZVVRFH-UHFFFAOYSA-N	428.067	5.831	70	10	IKIE	
CC(C)(C)c1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1	217299083	NBRJDTYITBQFQE-UHFFFAOYSA-N	439.781	5.991	70	10	IKIE	
CCC[C@@H](CC)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br	2381648382	BSRDYGFDZYEJLV-SECBINFHSA-N	448.604	5.344	70	10	IKIE	
CCCNCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1	159510396	XMCDKXDDFGNASO-UHFFFAOYSA-N	431.197	5.107	70	10	IKIE	
Cc1ccc(NC(=O)Nc2ccccc2I)c(Br)c1	217273109	CGOFKZRTCAADIA-UHFFFAOYSA-N	431.071	5.006	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2F)c(Br)c1	109526907	YZZAZWMDFCZMEJ-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1ccc(I)cc1	161341052	GFTDTJLNRYRJPU-MRXNPFEDSA-N	448.117	5.086	70	10	IKIE	
Cc1cc(I)ccc1NC(=O)N[C@@H](C)Oc1ccccc1C(C)C	217292024	MFDAWBSEBOPTDQ-CQSZACIVSA-N	438.309	5.270	70	10	IKIE	
Cc1cc([C@H](O)c2cc(C(F)(F)F)ccc2Br)sc1Br	159827076	AOMUBMGLMKNYOL-LLVKDONJSA-N	430.083	5.682	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C(\C)C(C)(C)C)c2)cc1	216696971	RQYRREBHVRDDPA-SAPNQHFASA-N	438.524	5.083	70	10	IKIE	
CCCCN(CCC)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298573	HRPCZSFTAAWOII-UHFFFAOYSA-N	427.427	5.737	70	10	IKIE	
CCN[C@@H](Cc1ccc(Br)s1)c1c(F)cc(Br)cc1F	160755352	WKWOHGUZIJZQLA-LBPRGKRZSA-N	425.136	5.445	70	10	IKIE	
Cc1nc(NC(=O)c2cc(Br)ccc2Br)c(Cl)cc1Cl	160272845	CINADWIOIXPOQF-UHFFFAOYSA-N	438.934	5.474	70	10	IKIE	
CCN(C(=O)NCCCOc1ccc(Br)cc1Cl)c1cccc(C)c1	217299143	PRHILHSVONHJQC-UHFFFAOYSA-N	425.754	5.416	70	10	IKIE	
CC(C)[C@@H](C)[C@H](C)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2365432780	SOLMJIJCOGGTCI-KGLIPLIRSA-N	430.975	5.092	70	10	IKIE	
CCOc1c(Br)cc(Cl)cc1NCc1ccc(C)cc1Br	161490425	DQJFRNQKPKNSDH-UHFFFAOYSA-N	433.571	6.184	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)NC3CCCCCCCCCCC3)cc2C1=O	217280397	XAAHQJJLVXVZBA-UHFFFAOYSA-N	427.589	5.876	70	10	IKIE	
CCCCC[C@@H](C)OC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2236276043	SDBGXTKGXLEYLE-CQSZACIVSA-N	430.975	5.380	70	10	IKIE	
CCCCN([C@@H](C)CC)S(=O)(=O)c1cc(Br)c(C)cc1Br	159599751	CLSRIKJRQCCMCE-LBPRGKRZSA-N	441.229	5.109	70	10	IKIE	
[N-]=[N+]=Nc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1	1887505776	WZMFVNUCFGJWJP-UHFFFAOYSA-N	437.210	5.722	70	10	IKIE	
CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)c1ccc2c(c1)CCCC2	217280355	MDXVALKMOBRVCQ-QFIPXVFZSA-N	433.552	5.233	70	10	IKIE	
CCCN[C@H](Cc1ccc(Cl)cc1Cl)c1csc(I)c1	160476151	AQNOOHNVRSHEBM-CQSZACIVSA-N	440.177	5.943	70	10	IKIE	
O=C(NCc1cccc(Br)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217315054	QVBAOYMNNAAPBL-UHFFFAOYSA-N	441.169	5.808	70	10	IKIE	
CCN[C@H](c1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	159743387	CICXAWMIDXYLCF-ZDUSSCGKSA-N	443.126	5.991	70	10	IKIE	
C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc2c(c1)CCCC2	217281189	YIKONKCRMSIDHQ-QGZVFWFLSA-N	445.563	5.377	70	10	IKIE	
CC1(CCCOc2c(Br)cc(S(=O)(=O)Cl)cc2Br)CC1	2144400386	PABFXGZBKUHCSZ-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
CN[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Cl)c(Br)s1	159580809	CKLRVOOZQWOPTJ-HNNXBMFYSA-N	445.607	6.389	70	10	IKIE	
CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(Br)ccc1Br	160396215	AEQKZHFWLLAJKO-CQSZACIVSA-N	429.177	5.423	70	10	IKIE	
CCc1ccc([C@H](C)NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1	217298915	SKEKXJOXWVJKGS-AWEZNQCLSA-N	439.781	5.494	70	10	IKIE	
O=S(=O)(Cl)c1ccc(Oc2cc(F)cc(Br)c2)c(Br)c1	133509179	WJFHVRHXONTENT-UHFFFAOYSA-N	444.503	5.071	70	10	IKIE	
C[C@@H]1CCCC[C@@H]1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298609	XAZHDYUMQGTGSW-QAPCUYQASA-N	425.411	5.393	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1Cl	2239516957	APGBOQNXARIQQG-UHFFFAOYSA-N	440.078	5.794	70	10	IKIE	
CCCc1ccc(OCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1	217294165	ONLNNSOTAJDTRB-UHFFFAOYSA-N	431.561	6.382	70	10	IKIE	
Clc1nc(-c2cc(Br)c(Br)o2)nc(Cl)c1C1CCCC1	159911468	DIMLQVLPCXLDDV-UHFFFAOYSA-N	440.950	6.226	70	10	IKIE	
C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Br)ccc1Br	160380980	HEWUSQJCLBLETP-QMMMGPOBSA-N	429.074	5.015	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)c(OCCCC2CCC2)c(Br)c1	701531602	PTBJMZDIIRTODL-UHFFFAOYSA-N	446.588	5.098	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1ccc(Br)cc1Cl	160662324	NXDUVIRSKMHCMY-CQSZACIVSA-N	437.628	6.210	70	10	IKIE	
Nc1cc(Br)cc2nc(-c3cc(Br)ccc3Br)[nH]c12	160710823	BKZSZNCGRFPNTQ-UHFFFAOYSA-N	445.940	5.100	70	10	IKIE	
CCOc1cc(NC(=O)NC(c2ccccc2)c2ccccc2)cc(OCC)c1OCC	217274428	VTQGXPOTBOWOTD-UHFFFAOYSA-N	434.536	5.794	70	10	IKIE	
C[C@H]1CCCC[C@@H]1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298610	XAZHDYUMQGTGSW-YJBOKZPZSA-N	425.411	5.393	70	10	IKIE	
CC[C@H](C)c1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217299157	FENYCMVBQYSYCW-AWEZNQCLSA-N	439.781	6.207	70	10	IKIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccc(Cl)cc1	59080074	YSYURHHBZVQTPP-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCN[C@H](c1cc(C(F)(F)F)ccc1Br)c1sccc1Br	159755521	DGJRBYVOWXLLJO-GFCCVEGCSA-N	443.126	5.991	70	10	IKIE	
Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCCCN2c2ccc(-c3ccco3)nn2)cs1	218602784	RWZVMUDUBSNIBK-NRFANRHFSA-N	445.548	5.166	70	10	IKIE	
CCCC[Sn](CCCC)(CCCC)c1cccc(S(=O)(=O)F)c1	1882340261	RDRJQVQEMBATRB-UHFFFAOYSA-N	449.220	5.401	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NC2CCCCCC2)c(Br)c1	217298689	MDVNBSXIGNUQIJ-UHFFFAOYSA-N	425.411	5.538	70	10	IKIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc([C@H](CS(=O)(=O)Cl)C2CC2)cc1Cl	1952685428	LXGFILNTZHAQIK-LLVKDONJSA-N	428.765	5.403	70	10	IKIE	
CCCN[C@H](Cc1ccncc1Cl)c1cc(Br)ccc1Br	160817873	DBTXPWBSBICCAX-MRXNPFEDSA-N	432.587	5.543	70	10	IKIE	
Cc1ccccc1CCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298776	RHMPVQVWDWHIKJ-UHFFFAOYSA-N	447.417	5.366	70	10	IKIE	
CCCN[C@H](c1cc(Br)ccc1Br)c1cccc(C)c1Cl	160302616	VHEANMXRSKWZJQ-KRWDZBQOSA-N	431.599	6.262	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccccc2)c(Br)c1	217298456	PRVHEVHHXMKLPN-UHFFFAOYSA-N	433.390	5.057	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1ccc(Br)cc1Cl	160662191	NXDUVIRSKMHCMY-AWEZNQCLSA-N	437.628	6.210	70	10	IKIE	
CCOc1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl	217299104	JVGLTWMKTCOLKV-UHFFFAOYSA-N	427.726	5.092	70	10	IKIE	
CC[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1	160318380	PVKUWVXQJYLZHY-HNNXBMFYSA-N	431.555	5.746	70	10	IKIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1cccc(Br)c1Cl	161383550	DHZYLRCMYKUODQ-OAHLLOKOSA-N	435.562	5.897	70	10	IKIE	
COc1ccc(C(=O)Nc2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1OC	216898500	ZCZFWZHJHZUZEK-UHFFFAOYSA-N	448.563	5.501	70	10	IKIE	
CCN[C@@H](c1cc(Br)ccc1Br)c1cc(Cl)sc1Cl	159837231	DGFJTGOQWAXSIN-LBPRGKRZSA-N	444.019	6.279	70	10	IKIE	
CC(C)(C)OC(=O)c1sc(-c2cc(Br)ccc2Br)cc1N	160844831	FFSTUFMYAZVZRV-UHFFFAOYSA-N	433.165	5.478	70	10	IKIE	
CC(C)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298426	XVIUPRVHVJWZNK-UHFFFAOYSA-N	447.417	6.461	70	10	IKIE	
CN[C@@H](c1ccc(Br)s1)c1cc(C(F)(F)F)ccc1Br	159742966	WAYDKQRMDZVFRI-GFCCVEGCSA-N	429.099	5.601	70	10	IKIE	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1[C@H](CS(=O)(=O)Cl)C1CC1	1952683466	WNHZHTOOQMRARW-CYBMUJFWSA-N	427.872	5.115	70	10	IKIE	
Cc1cc(Oc2ccc(S(=O)(=O)Cl)cc2Br)ccc1Br	161502877	ZOKNPKBKHFLDEA-UHFFFAOYSA-N	440.540	5.240	70	10	IKIE	
CCN[C@@H](c1cc(Br)c(Br)s1)C1C2CC3CC(C2)CC1C3	160152520	ZEEBOPPEISABSR-IISVTJJBSA-N	433.253	5.996	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C(\C)C(C)(C)C)cc1	216672396	NJVZMGNBKSCBOP-BMRADRMJSA-N	438.524	5.083	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CC2CCCCC2)cc1	216668160	ZTHZOMODVWHTHM-UHFFFAOYSA-N	438.524	5.061	70	10	IKIE	
N[C@H](c1ccc(F)c(Br)c1)c1cc(C(F)(F)F)ccc1Br	159751444	ILICAGQGMFOSMW-CYBMUJFWSA-N	427.033	5.418	70	10	IKIE	
CC[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1	160318507	PVKUWVXQJYLZHY-OAHLLOKOSA-N	431.555	5.746	70	10	IKIE	
CC(C)=CCCCOC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1	2285118106	WMNGXYRAYBIKOF-UHFFFAOYSA-N	428.959	5.158	70	10	IKIE	
C[C@H](c1ccccc1)N1C[C@H](NC(=O)Nc2ccccc2Sc2ccccc2)CC1=O	217283852	ANTQJZUJNLWJPS-UYAOXDASSA-N	431.561	5.321	70	10	IKIE	
CCOc1c(Br)cc(CN[C@@H](C)CCSCC)cc1Br	159993905	ZZIRCPNVYWQTCI-NSHDSACASA-N	425.230	5.232	70	10	IKIE	
CCOc1ccc(NC(=O)Nc2cc(OCC)c(OCC)c(OCC)c2)cc1OCC	217274657	HNPRUGUKOLCAQM-UHFFFAOYSA-N	432.517	5.324	70	10	IKIE	
O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1cn2ccsc2n1	218560575	MLKARAROUVJXDI-UHFFFAOYSA-N	425.513	5.747	70	10	IKIE	
CC(C)(C)OC(=O)Nc1ccc([C@@H](CS(=O)(=O)Cl)C2CC2)c(C(F)(F)F)c1	1952682720	NTXULSZQVAFKLC-ZDUSSCGKSA-N	427.872	5.115	70	10	IKIE	
Clc1ccc(COc2cccc([C@@H]3NN=C4CCN(Cc5ccccc5)C[C@H]43)c2)cc1	217066501	PVGAICSYSFOOIR-RSXGOPAZSA-N	431.967	5.441	70	10	IKIE	
Cc1cc(OCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C)c1Cl	217290652	ACNNAKDYFNJGAY-UHFFFAOYSA-N	440.771	6.152	70	10	IKIE	
Clc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)ccc1OCc1ccccc1	217066564	NJBNZZZVVLVGEY-GJZUVCINSA-N	431.967	5.441	70	10	IKIE	
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)sc2c1	217312961	VXUGWHMEXBCRAM-UHFFFAOYSA-N	427.451	6.935	70	10	IKIE	
CC(C)COc1c(Cl)cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217066366	WZASCCIFJRFHEO-GCJKJVERSA-N	432.395	5.551	70	10	IKIE	
CCOC(=O)c1sc(-c2cc(Br)ccc2Br)c(CC)c1N	160843572	WGNUWXNJYLUHBW-UHFFFAOYSA-N	433.165	5.261	70	10	IKIE	
CCN[C@@H](c1cc(Cl)c(Br)s1)c1ccc(Br)cc1OC	160654717	ZTWJKUCYUOENJH-CYBMUJFWSA-N	439.600	5.634	70	10	IKIE	
COc1cccc(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1	218605921	ISEXYGCCKPCHCQ-UHFFFAOYSA-N	434.492	5.642	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	59211511	NQABZDFPWADLBR-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
CCOc1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc(OCC)c1OCC	217274406	YESLMTLQIHGSGX-UHFFFAOYSA-N	426.557	5.369	70	10	IKIE	
CCN[C@@H](c1cc(C)c(C)cc1Cl)c1cc(Br)ccc1Br	159901022	DDLFLWPJBYHKNB-QGZVFWFLSA-N	431.599	6.181	70	10	IKIE	
CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(C)c(C)c2)cc1	216662753	KICGYYURKMRGMK-UHFFFAOYSA-N	446.503	5.021	70	10	IKIE	
O=S(=O)(Cl)c1ccc(OCc2cc(Cl)ccc2Cl)c(Br)c1	115750236	UWJLZJCABHRXAI-UHFFFAOYSA-N	430.534	5.262	70	10	IKIE	
O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1	217293480	FVNYBSYLYRGWDI-UHFFFAOYSA-N	431.582	5.879	70	10	IKIE	
CCCN[C@@H](Cc1cc(Br)ccc1F)c1cc(C)c(Br)s1	160199136	MTNACFQKOLWYIJ-AWEZNQCLSA-N	435.200	6.004	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1c(F)cc(Br)cc1F	160755087	FYILDCSPPZDAEV-ZDUSSCGKSA-N	439.163	5.835	70	10	IKIE	
CCc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1	217298914	SKEKXJOXWVJKGS-CQSZACIVSA-N	439.781	5.494	70	10	IKIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1cccc(Br)c1Cl	160336577	OVFFRWHBZYTBCM-HNNXBMFYSA-N	435.562	5.897	70	10	IKIE	
CCCN[C@H](Cc1ccc(CC)s1)c1cc(Br)c(Br)s1	161098435	CKVBGMCERICBMR-CYBMUJFWSA-N	437.266	6.180	70	10	IKIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccccc3Sc3ccccc3)cc2C1=O	217280381	PMMICHPKOYBHNU-UHFFFAOYSA-N	445.544	5.876	70	10	IKIE	
Cc1cc(Br)c(C(=O)c2cc(C(F)(F)F)ccc2Br)s1	159732228	PZEUXOPOASUITO-UHFFFAOYSA-N	428.067	5.831	70	10	IKIE	
Cc1nc(-c2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cs1	218663931	PVYVBJRTHLDCTJ-UHFFFAOYSA-N	432.876	5.592	70	10	IKIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(F)c(F)c1F	217299161	KASDAXNMYIZNOJ-UHFFFAOYSA-N	437.643	5.110	70	10	IKIE	
CCCN[C@@H](c1cc(Cl)c(Br)s1)c1ccc(C)cc1Br	161047659	PBZKVDSXYSDYSV-CQSZACIVSA-N	437.628	6.324	70	10	IKIE	
CCN[C@@H](Cc1cc(F)ccc1Br)c1ccc(Br)c(Cl)c1	161493749	IZOXHJPYKZPXQQ-INIZCTEOSA-N	435.562	5.897	70	10	IKIE	
CN[C@H](c1ccc2cc(Br)ccc2c1)c1cc(C)c(Br)s1	159579150	JPDLRNJNUXGHNS-MRXNPFEDSA-N	425.189	6.044	70	10	IKIE	
C[C@@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccccc1	217298470	HQGXANISNQPIGX-MRXNPFEDSA-N	433.390	5.576	70	10	IKIE	
Cc1cc2ncc(CCCNC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)cn2n1	218017339	ZNYPNGUEAUXEFK-UHFFFAOYSA-N	439.346	5.374	70	10	IKIE	
COc1ccc(Br)c(C(=O)Nc2ccccc2-c2cn3ccsc3n2)c1	218553399	VPMBGQXQCJYJMS-UHFFFAOYSA-N	428.311	5.086	70	10	IKIE	
CCCN[C@H](Cc1ccc(Br)s1)c1ccc(Br)cc1OC	160770559	RHVSYKRFIMVAHP-CQSZACIVSA-N	433.209	5.565	70	10	IKIE	
C[C@H]1CCC[C@@H](C)N1C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298607	RZTPSBJFYHJLDP-IYBDPMFKSA-N	425.411	5.488	70	10	IKIE	
CC(C)(C)OC(=O)N(CCCC(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1)Cc1ccccc1	1896954275	BIUFDXKGTDAAIA-GCJKJVERSA-N	439.307	5.044	70	10	IKIE	
Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1ccc(Cl)cc1	160732058	XYAWITKKKNSUKE-UHFFFAOYSA-N	427.527	5.504	70	10	IKIE	
CCCN[C@@H](Cc1ccc(Br)s1)c1ccc(Br)cc1OC	160770432	RHVSYKRFIMVAHP-AWEZNQCLSA-N	433.209	5.565	70	10	IKIE	
CN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccc(O)cc1	217298652	UYLCQJVCQMWFKI-UHFFFAOYSA-N	435.362	5.067	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1	217299544	WHCNAROGDVLERJ-UHFFFAOYSA-N	428.882	6.247	70	10	IKIE	
CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O)c1ccc2c(c1)CCCC2	217279533	ZPVRTHPCXHURCV-HSZRJFAPSA-N	433.552	5.090	70	10	IKIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCc2cccc(F)c2)c(Br)c1	217298772	KDLHQYXAXBDKKE-UHFFFAOYSA-N	437.353	5.154	70	10	IKIE	
CCCN[C@H](Cc1ccc(F)cc1Br)c1cc(C)c(Br)s1	161316641	CTZGXJQLDAEIQP-CQSZACIVSA-N	435.200	6.004	70	10	IKIE	
O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(Oc2ccccc2)cc1	217491593	GSXQCJDWBLESGS-UHFFFAOYSA-N	438.531	5.046	70	10	IKIE