smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
FC(F)(F)Oc1ccc([C@@H]2CCC[C@H](CI)O2)cc1	148856530	MAHYJACJGKEIIE-NEPJUHHUSA-N	386.151	4.630	70	10	GJIE	
Cc1ccc([C@H](N)Cc2cc(Br)ccc2F)cc1Br	160298423	KDEZUKJTCCTDNJ-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1onc(-c2ccccn2)c1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1	160350666	DVEMLTUYRKKZFP-UHFFFAOYSA-N	395.422	4.841	70	10	GJIE	
Cc1ccc2ccccc2c1[C@@H](O)c1csc(I)c1	160968918	VIXKRTFEZYQDCO-INIZCTEOSA-N	380.250	4.896	70	10	GJIE	
C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1Br	160542036	RJTYKYBPOJONGR-NSHDSACASA-N	397.110	4.573	70	10	GJIE	
CC(C)CC[C@H](C)Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	2146476986	YYTQJHKGFOJIOC-VIFPVBQESA-N	387.698	4.719	70	10	GJIE	
C=CCCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)c1ccccc1	1131369126	UIRPSUOOGCHIFS-GOSISDBHSA-N	375.465	4.732	70	10	GJIE	
Brc1ccc([C@H](Cc2ccccn2)N[C@H]2CCCSC2)cc1	159565495	DSUZTIGMMOLBQD-ROUUACIJSA-N	377.351	4.613	70	10	GJIE	
Cc1nc(NC(=O)c2ccccc2SCc2csc(C)n2)cc(C2CC2)n1	159875755	LDXMETACMPAWEW-UHFFFAOYSA-N	396.541	4.972	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	159947266	BIQMQIMEABNABM-UHFFFAOYSA-N	388.895	4.823	70	10	GJIE	
CC(C)(C)c1ccc(OCC(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1	217292660	DPQPITPXSAPCLU-UHFFFAOYSA-N	397.496	4.565	70	10	GJIE	
Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCN3c3nccs3)cc2)cc1	217740616	HNTOGNRLIHITLG-HXUWFJFHSA-N	377.513	4.517	70	10	GJIE	
C[C@@H]1CC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@H]1C	251724751	IRMXAKMVWNKFLA-GMTAPVOTSA-N	381.719	4.580	70	10	GJIE	
CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133912920	MOFWPXXTNOGPIA-UONOGXRCSA-N	393.279	4.546	70	10	GJIE	
Cc1cc(N)cc(C)c1NC(=O)c1cc(Br)ccc1Br	159583959	LCHSDPTYRQXCBO-UHFFFAOYSA-N	398.098	4.663	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1=O	217279036	VWJJCMFVVNLKJV-UHFFFAOYSA-N	392.242	4.642	70	10	GJIE	
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H](c2ccccc2)C1	217288415	UQMVQDBRYXMDKD-MRXNPFEDSA-N	399.434	4.544	70	10	GJIE	
C[C@@H](CCCc1ccc(NC(=O)OC(C)(C)C)cc1)CS(=O)(=O)Cl	1952629880	XMMZYEXCSOMNJN-ZDUSSCGKSA-N	375.918	4.561	70	10	GJIE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2194129574	VRRXTDALZRRCLM-KUHUBIRLSA-N	397.226	4.796	70	10	GJIE	
O=S(=O)(Cl)CC1(COc2ccc(Br)cc2)CCCCCC1	115567889	MVBIBJOECSKACI-UHFFFAOYSA-N	395.746	4.737	70	10	GJIE	
COc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)nc3)n2)cc1OC	159657487	OHMLHIXPVYCACN-UHFFFAOYSA-N	383.473	4.598	70	10	GJIE	
N[C@H](c1ccc(Br)o1)c1cc(C(F)(F)F)ccc1Br	159752161	WXVHJGGITRKOSZ-NSHDSACASA-N	399.004	4.872	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N(Cc1ccco1)Cc1ccco1	160388625	UYDLWJWUPZLRJE-UHFFFAOYSA-N	387.439	4.847	70	10	GJIE	
Cc1cccc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281413	FGXWFNIOEKGXGH-UHFFFAOYSA-N	391.471	4.876	70	10	GJIE	
O=S(=O)(Cl)CC1(COc2ccc(OCc3ccccc3)cc2)CCCC1	386547421	DDMWQBJVLLUZOI-UHFFFAOYSA-N	394.920	4.773	70	10	GJIE	
COc1ccc(OC)c([C@H](C)N[C@@H](C)c2cc(Cl)c(OC)cc2OC)c1	160003851	PGWVTYMMXJGCPX-STQMWFEESA-N	379.884	4.786	70	10	GJIE	
COc1cc(NC(=O)Nc2ccccc2Br)c(OC)cc1Cl	217272666	SREQSPYUCGJPNG-UHFFFAOYSA-N	385.645	4.764	70	10	GJIE	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1cc2ccccc2[nH]c1=O	161433195	JQVGPDHOJKDJFE-HNNXBMFYSA-N	397.544	4.569	70	10	GJIE	
CCC(CC)(COc1cc(C)ccc1Br)CS(=O)(=O)Cl	699756382	STRCSVRQPHBXGV-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F	2116128484	UVBVWOFZNKDNPF-GFCCVEGCSA-N	387.156	4.960	70	10	GJIE	
CCC1CC(COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191428812	RXYKLGMVMSBUIF-UHFFFAOYSA-N	385.682	4.576	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1	2368352182	VIMTWXACUZANHJ-BFUOFWGJSA-N	399.242	4.726	70	10	GJIE	
Cc1cc(Oc2ccc(Br)cc2F)ccc1S(=O)(=O)Cl	59261439	RFVYVNXOQHOJDT-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
CCN(C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1)[C@@H](C)c1cccnc1	161172956	TUMYKQDOFXVJHQ-CVEARBPZSA-N	385.483	4.863	70	10	GJIE	
CC(C)(C)c1ccc(NC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1	217605843	KIFIWDSSVKWMPK-HSZRJFAPSA-N	378.472	4.678	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1	2194131541	BMDIXFKNHWSNON-IFXJQAMLSA-N	397.226	4.512	70	10	GJIE	
CCC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@@H]([B-](F)(F)F)C1	2342482944	PEBIODABTXXVTR-LSDHHAIUSA-N	393.279	4.548	70	10	GJIE	
Brc1ccc2ncnc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2c1	160543027	RWCULDNCUXSMHV-CRAIPNDOSA-N	384.277	4.725	70	10	GJIE	
COc1cc(Br)c2oc(CN)c(CC(C)C)c2c1Br	161499774	KDUNFGLKLHOJCW-UHFFFAOYSA-N	391.103	4.624	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)c([C@H](CS(=O)(=O)Cl)C2CC2)c1	1952685720	MYPWEKISWHFLQB-CYBMUJFWSA-N	394.320	4.749	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	159384790	SHAHVIUAJKKCCX-INIZCTEOSA-N	380.517	4.540	70	10	GJIE	
O=C(Nc1ccc2c(c1)CCC2)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1	161021264	CPXSKLOHQRDTHB-RTBURBONSA-N	390.405	4.534	70	10	GJIE	
O=C(NCCCOc1ccccc1Cl)Nc1ccc(Br)cc1	217299833	PCOJUTJRAMHQJL-UHFFFAOYSA-N	383.673	4.693	70	10	GJIE	
CC(C)(C)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1	217522081	NWQVUKWAGLIFHJ-UHFFFAOYSA-N	393.453	4.508	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@@H](CS(=O)(=O)Cl)C1CC1	1952683914	BNGSWDJBBLHNAN-NSHDSACASA-N	394.320	4.749	70	10	GJIE	
C[C@H]1C[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)CC[C@H]1C	113962174	UDPUUGDEGNBOOV-JFGNBEQYSA-N	381.719	4.580	70	10	GJIE	
COc1ccc(OC)c([C@@H](C)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	161053761	MYCWUWUSMXSPNA-LBFURVHYSA-N	380.532	4.550	70	10	GJIE	
NC[C@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1c(F)cccc1Br	161334926	FGPTVICZKMIFFN-PSLIRLAXSA-N	393.083	4.671	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2cccc(Cl)c2Cl)cc1OC	217308116	RYZPQZDVFYNEFZ-UHFFFAOYSA-N	383.275	4.765	70	10	GJIE	
CC(C)=C(C)CCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	718644296	HMGATQVZIAOBTN-UHFFFAOYSA-N	385.682	4.641	70	10	GJIE	
O=S(=O)(Cl)c1cc(C(F)(F)F)c(C(F)(F)F)cc1OC(F)(F)F	2055422848	WEYNIQFMFBOCJN-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
CC(C)CCOc1ccc([C@@H](C)NC(=O)Nc2ccn(CC(F)(F)F)n2)cc1	160366319	SUKKQCMCGCYSQB-CQSZACIVSA-N	398.429	4.753	70	10	GJIE	
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H](C)Sc3ccccc3Cl)cc2)n1	161161398	KUFSYXVDRSOBRV-ZDUSSCGKSA-N	399.903	4.518	70	10	GJIE	
O=C(NCCCOc1ccccc1Cl)Nc1ccccc1Br	217300143	OYPWQXOFCMLSIL-UHFFFAOYSA-N	383.673	4.693	70	10	GJIE	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160878102	XYVOCNPREBYZJC-AUUYWEPGSA-N	383.492	4.603	70	10	GJIE	
CCOc1cc(NC(=O)N2CCCc3ccccc32)cc(OCC)c1OCC	217274378	GLQRZNGELWNHBB-UHFFFAOYSA-N	384.476	4.867	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C(C)(C)S(=O)(=O)F	1952842933	MHSRPARTXDVUMW-UHFFFAOYSA-N	385.379	4.587	70	10	GJIE	
Cc1cc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2194129576	VRRXTDALZRRCLM-LIRRHRJNSA-N	397.226	4.796	70	10	GJIE	
COc1cc(Nc2ncc(Cl)cc2Br)c(OC)cc1Cl	159705975	OLRFIEOWTTULDE-UHFFFAOYSA-N	378.053	4.912	70	10	GJIE	
Cc1nc2n(n1)CCC[C@@H]2NCc1ccccc1Oc1ccc(F)cc1Cl	159855589	PQMNCXSKSCVXOQ-KRWDZBQOSA-N	386.858	4.796	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)C(C)(C)C)c1	160789550	JCNCSDPMAXRUEO-MRXNPFEDSA-N	396.457	4.676	70	10	GJIE	
O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1csc([C@@H]2CCCO2)n1	161490315	GBVSGXVZAXXWQH-SFHVURJKSA-N	394.500	4.700	70	10	GJIE	
Cc1ccc([C@@H](O)[C@@H](CN)c2c(Cl)cccc2Cl)c(Br)c1	161499686	LSXMOVMGRCFYDQ-MEDUHNTESA-N	389.120	4.840	70	10	GJIE	
CC1(C)C[C@H]1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191428701	QPZGTZUBMCHFAQ-MRVPVSSYSA-N	385.682	4.576	70	10	GJIE	
Cc1cc(O[C@H](c2ccccc2Br)[C@@H](C)N)ccc1Br	161495703	KDIUZYRXVIGXMT-BZNIZROVSA-N	399.126	4.987	70	10	GJIE	
CCOc1ccc(NC(=O)Nc2ccccc2Br)cc1OCC	217272527	BGBFFGHXOLRKTG-UHFFFAOYSA-N	379.254	4.891	70	10	GJIE	
CCOc1ccccc1OCNC(=O)N(Cc1ccccc1)c1ccccc1	217289730	GRRRJZJIYBAGMY-UHFFFAOYSA-N	376.456	4.838	70	10	GJIE	
Cc1ccc(OCCCNC(=O)Nc2ccc(C)cc2Br)cc1	217297979	MECSPFZFBNFPRC-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1CCCC1	104924007	NOIXMNQHJRZTFU-UHFFFAOYSA-N	388.110	4.599	70	10	GJIE	
CC(C)CN(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F	2052601326	IEHDDKIYSBBVLC-UHFFFAOYSA-N	375.145	4.817	70	10	GJIE	
O=C(c1ccc(Cl)cc1Br)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194131348	ZPLYGOUNGMBASC-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1	159781508	GEZDOSSLAZYWIF-LJQANCHMSA-N	375.513	4.788	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O	217279454	DHFSUKRILOFWIN-UHFFFAOYSA-N	385.851	4.544	70	10	GJIE	
O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	100357119	AIRILOQPESOZMY-OWOJBTEDSA-N	376.192	4.730	70	10	GJIE	
COc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c(OC)c1OC	159383965	YQJVELKJMZGFKN-XJKSGUPXSA-N	388.464	4.619	70	10	GJIE	
CC(C)c1nc(C2(NC(=O)C[C@@H](C)c3ccc(F)cc3F)CCCC2)no1	160509277	HERHTKZVMNLQRT-CYBMUJFWSA-N	377.435	4.551	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCc2cccc(Br)c2)c(C)c1	217315071	CYYBOHULFAJYIU-UHFFFAOYSA-N	390.325	4.925	70	10	GJIE	
O=C(CCCc1ccc(Br)s1)N1CCC[C@H]([B-](F)(F)F)C1	2190460552	CQBWVSAMPFEONM-JTQLQIEISA-N	383.062	4.673	70	10	GJIE	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cc(-c3nnco3)ccc2C)o1	160191848	UBFLIQSWVXDVMJ-ACJLOTCBSA-N	380.448	4.952	70	10	GJIE	
O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@H](c2cccs2)C1	161386401	CABJPDAFULWYFD-INIZCTEOSA-N	391.583	4.831	70	10	GJIE	
Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1	217289525	IGOBDELRESOVCH-MRXNPFEDSA-N	381.900	4.746	70	10	GJIE	
CC(C)(COc1ccc2ccccc2c1Br)CS(=O)(=O)Cl	115562283	ORRKQNLNGIZGQE-UHFFFAOYSA-N	391.714	4.576	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C	159823747	GJTICTGPOPTQTC-QGZVFWFLSA-N	381.492	4.783	70	10	GJIE	
Cc1ccc(C(=O)N(C)Cc2cccc(Br)c2)c(Br)c1	161062997	HHWZEWWKXISSDV-UHFFFAOYSA-N	397.110	4.792	70	10	GJIE	
CCOc1ccc2ccccc2c1C(=O)Nc1ccsc1-c1nc(C)no1	217285701	OSDSRDZAXOXQDH-UHFFFAOYSA-N	379.441	4.911	70	10	GJIE	
CC[C@@H](C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F	2052596409	ASSLKCLZAUTYQN-GFCCVEGCSA-N	375.145	4.960	70	10	GJIE	
O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1	160912150	OPKWDNYNXRGKSR-MBSDFSHPSA-N	398.478	4.564	70	10	GJIE	
COc1cc(NC(=O)N[C@H](C)Oc2ccc(Cl)cc2)c(OC)cc1Cl	217295222	WGNZADKUJHCMLW-JTQLQIEISA-N	385.247	4.557	70	10	GJIE	
CC[C@@H](CCCN(CCC(F)(F)F)Cc1ccccc1)S(=O)(=O)Cl	1949716011	RVYGSJKMVXEGDJ-HNNXBMFYSA-N	385.879	4.568	70	10	GJIE	
C[C@@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@H](c2ccccc2)O1	161168846	YYMWTRCESYKWBZ-DNVCBOLYSA-N	377.406	4.784	70	10	GJIE	
CCN(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1	217281236	BOHDXCMNHIRNTC-UHFFFAOYSA-N	391.471	4.674	70	10	GJIE	
CCOC(=O)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)cc1	217299245	ZNZSVTNDHHYOBZ-UHFFFAOYSA-N	398.503	4.751	70	10	GJIE	
CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@@H](c1ccccc1)c1ccco1	160816035	WFMWRESPLDRPEX-QFIPXVFZSA-N	386.455	4.601	70	10	GJIE	
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)Cl)c1	1858161690	QFVSTQNKXOUQJK-UHFFFAOYSA-N	387.844	4.659	70	10	GJIE	
Cc1sc(Br)c(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1C	2194133982	SYWXAWAPBGVBGI-RNCFNFMXSA-N	381.046	4.581	70	10	GJIE	
ClC[C@H](O[C@@H](CCl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	82021798	AQTWOCCPBLHBEY-IMJSIDKUSA-N	377.737	4.958	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1O[C@@H]1C=CCCCCC1	379876620	LLFZZAWSRXBORN-GFCCVEGCSA-N	379.703	4.644	70	10	GJIE	
CC(C)CN(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	1961710620	STLAMVCMPBMNPT-UHFFFAOYSA-N	386.044	4.561	70	10	GJIE	
CCC(CC)(COc1ccc(Br)cc1C)CS(=O)(=O)Cl	115563000	LAQJSOHVQCEVBU-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
COc1cc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)C(=O)CCC2	216724455	CORNISMBXFHCNO-UHFFFAOYSA-N	384.482	4.652	70	10	GJIE	
CC(C)Oc1ccc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1	217294121	GDOPMMMPVAAIKN-UHFFFAOYSA-N	379.481	4.696	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	160512047	YWYJBLZOUOJWMO-OAHLLOKOSA-N	396.874	4.936	70	10	GJIE	
CCN(CCc1nccs1)C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1	161423062	KCUOJGNXHFSOQO-UHFFFAOYSA-N	395.528	4.839	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)cc1	216755829	QLQPLJHTQURKED-ZDUSSCGKSA-N	394.393	4.717	70	10	GJIE	
CC[C@@H](C)[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	319974288	IUESDTCZNMHURU-HTQZYQBOSA-N	390.126	4.843	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1	161445080	DOKXLJXQAKSHEU-LSDHHAIUSA-N	382.414	4.616	70	10	GJIE	
C=C(Br)COc1ccc(S(=O)(=O)Cl)cc1-c1ccccc1	215794164	TVDUNBZDEYERGJ-UHFFFAOYSA-N	387.682	4.569	70	10	GJIE	
C[C@@H]1CCC[C@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191422340	SHYLYVLUJVLCJF-SCZZXKLOSA-N	385.682	4.718	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1	2194129298	UNSLFHYGPKBSRS-BFUOFWGJSA-N	397.226	4.796	70	10	GJIE	
C[C@H](N[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(-n2ccnn2)cc1	159866506	JILMXOLHLPLVAH-LSDHHAIUSA-N	393.878	4.988	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160796458	KSBKNBULMPEOKU-ZWKOTPCHSA-N	390.531	4.675	70	10	GJIE	
Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1	217281379	ZRRNOLVTCJCXHV-UHFFFAOYSA-N	391.471	4.876	70	10	GJIE	
CC(C)Oc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1	217293359	YASFGJQGSKPZSR-UHFFFAOYSA-N	385.510	4.758	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccccc2)s1)NC12CC3CC(CC(C3)C1)C2	217294684	AGYVQPWJAGEHTP-UHFFFAOYSA-N	394.540	4.747	70	10	GJIE	
CCOc1ccc(OCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	217307430	RMHRKDSYJAARSQ-UHFFFAOYSA-N	388.773	4.916	70	10	GJIE	
O=C(c1cc(Cl)ccc1Br)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194129175	JMLFYHLUHKKQSA-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
Cc1cccc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2194135833	ZQMQKJDMSNUUHN-YJYMSZOUSA-N	397.226	4.796	70	10	GJIE	
F[B-](F)(F)c1ccc2nc(N3CCC[C@@H](OCc4ccccc4)C3)sc2c1	2279028407	JYWJPRLMWPWXPP-MRXNPFEDSA-N	391.247	4.536	70	10	GJIE	
Fc1cccc(F)c1-c1csc(CN2CCO[C@@H](c3cccs3)C2)n1	160187556	MARLGGXFMTYASW-OAHLLOKOSA-N	378.469	4.723	70	10	GJIE	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1c2ccccc2CCC1(C)C	160290132	WNUBUYBADQOVHE-FQEVSTJZSA-N	379.504	4.532	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CCS(=O)(=O)Cl)c(C(F)(F)F)c1	1952406448	XDUKMWFGCMKCHN-UHFFFAOYSA-N	399.818	4.634	70	10	GJIE	
Cc1ccc(OCCCCCCCS(=O)(=O)Cl)c(Br)c1	2294696459	IJVWXZHOSNMBOW-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@H](c4nccs4)C3)c2C)c1	160849419	VFWGFDLTMLMKNJ-KRWDZBQOSA-N	395.532	4.666	70	10	GJIE	
Cc1cc(O[C@H](c2cccc(Br)c2)[C@H](C)N)ccc1Br	161485200	UIMUGTOMKFCVMF-ZBEGNZNMSA-N	399.126	4.987	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1	2095895975	NXESKSZNPMGFGJ-INIZCTEOSA-N	393.936	4.609	70	10	GJIE	
C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342474212	KDPAFHZULDPWKJ-IYOUNJFTSA-N	393.279	4.546	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccccc2Br)c(Cl)c1	104925806	KRXDIVQSNNQNPT-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2cccc(Br)c2)n1	159596532	WJBOJIPUTIVPML-RDTXWAMCSA-N	388.309	4.760	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CC[C@H](C)[C@@H](C)C1	221040138	UMCUKICPHXMOLG-OUJBWJOFSA-N	395.746	4.889	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccccc2Br)cc1Cl	1927652828	PDRXQFCITYKOSB-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC(C)[C@@H](C)[C@H](C)Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	2365690989	QAWIGHXOJUKDEY-BDAKNGLRSA-N	387.698	4.575	70	10	GJIE	
COCc1nc(OC)c2c(C)c(C(=O)Nc3c(C)cccc3C(C)C)sc2n1	159853095	NTFRMIANDGATNQ-UHFFFAOYSA-N	399.516	4.839	70	10	GJIE	
Cc1nc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc(C2CC2)n1	160097910	ABOGFLHSHAJFDA-UHFFFAOYSA-N	382.851	4.542	70	10	GJIE	
Cc1cc(OCNC(=O)Nc2ccccc2Br)cc(C)c1Cl	217290716	IIVZTUDXXXBWPH-UHFFFAOYSA-N	383.673	4.877	70	10	GJIE	
C=C(CCN(CCN(C)Cc1ccccc1)Cc1ccccc1)[B-](F)(F)F	1953582610	ZIFWXIFCCBVASR-UHFFFAOYSA-N	375.267	4.954	70	10	GJIE	
F[B-](F)(F)c1cnc(Oc2cc(Cl)ccc2Cl)c(Br)c1	2115996915	VDQSBMHFNULNBH-UHFFFAOYSA-N	385.783	4.998	70	10	GJIE	
CCCCCCCOC(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1	115810733	WWIOUMBKCRYQNC-UHFFFAOYSA-N	397.718	4.504	70	10	GJIE	
CCCn1ncc(Br)c1[C@H](CSc1cccc(Cl)c1)NC	160758738	PMMHTZYCYNKCTJ-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](C)c1ccc2ccccc2c1	160910995	HJBUPMNYVIDXPD-ZDUSSCGKSA-N	389.421	4.635	70	10	GJIE	
C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCOCC1	161111270	ZBTQROHOZOOHOB-HNNXBMFYSA-N	380.513	4.888	70	10	GJIE	
F[B-](F)(F)c1cnc(Oc2ccc(Cl)cc2Cl)c(Br)c1	2115995261	DVOLYUANHOULIJ-UHFFFAOYSA-N	385.783	4.998	70	10	GJIE	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(S(=O)(=O)Cl)c1	1858161279	IXHVHVVBJDDOIT-UHFFFAOYSA-N	398.189	4.539	70	10	GJIE	
C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	160951897	NKMBBAGCLQWZIZ-BNOWGMLFSA-N	397.418	4.528	70	10	GJIE	
COC(=O)c1csc(NC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1	161081724	SKLKTBRIMIHBCI-GFCCVEGCSA-N	393.534	4.526	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(SC)c(F)c2)cc1OC	161215421	HXUVCGRTCTUAHA-GJZGRUSLSA-N	393.524	4.993	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)NC(=O)Nc1cc(Br)ccn1	217292675	WMRNAFHYXZCRGB-LBPRGKRZSA-N	378.270	4.514	70	10	GJIE	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccccc1Oc1ccccc1	218150549	QZWRQIMYHFTKRM-KRWDZBQOSA-N	393.512	4.582	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N(Cc1ccccc1)C(C)C)c1ccco1	160572289	LMMDNQXOAOTGSS-JOCHJYFZSA-N	378.472	4.998	70	10	GJIE	
Cc1c(NCc2ncc(-c3ccccc3)s2)cccc1C(=O)N1CCCC1	161380401	BQZJMWWNJOTKDQ-UHFFFAOYSA-N	377.513	4.967	70	10	GJIE	
CCOC(=O)c1ccccc1NC(=O)NCOc1ccc(C)cc1C(C)(C)C	217289923	QTHYUOFNJROENW-UHFFFAOYSA-N	384.476	4.627	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2264608721	CEBMDCQOGSPCFU-KBUNVGBDSA-N	387.437	4.618	70	10	GJIE	
F[B-](F)(F)c1ccc2nc(N3CCC(OCc4ccccc4)CC3)sc2c1	2279029858	FIJBDLMCELIYSH-UHFFFAOYSA-N	391.247	4.536	70	10	GJIE	
CC(C)N(CCC(=O)Nc1c(Cl)cccc1Cl)CCc1nccs1	159770220	DVOLMCCPUCZWFJ-UHFFFAOYSA-N	386.348	4.732	70	10	GJIE	
Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)n1Cc1ccccn1	159912168	XFVHNHUTWXONFE-NRFANRHFSA-N	389.499	4.580	70	10	GJIE	
CC(C)(C)c1nc2cc(NC(=O)CCc3cc4ccccc4[nH]c3=O)ccc2o1	160038399	CUKBCEKZRUQAJS-UHFFFAOYSA-N	389.455	4.538	70	10	GJIE	
Clc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c2ncccc12	160611622	AMEFEHPMIQCXOE-GOSISDBHSA-N	381.911	4.543	70	10	GJIE	
CN[C@H](CSc1cccc(Cl)c1)c1c(Br)cnn1C(C)C	160757828	OHHCDDUCHSDLIA-CQSZACIVSA-N	388.762	4.933	70	10	GJIE	
CCOc1ccc([C@H](N)c2cc(C)ccc2Br)c(Br)c1	161470844	JGJIJRDJAPBNOX-INIZCTEOSA-N	399.126	4.967	70	10	GJIE	
C[C@@H](CS(=O)(=O)Cl)c1cc2ccccc2cc1NC(=O)OC(C)(C)C	1952617217	ASNLDXLEYKAFKA-LBPRGKRZSA-N	383.897	4.859	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1	159724401	UXKREMSAFIMJJI-GOSISDBHSA-N	380.536	4.861	70	10	GJIE	
COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1	161064383	FTFKGRRQJBZAOT-YJBOKZPZSA-N	384.476	4.735	70	10	GJIE	
CCc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cnn1CC(C)C	161275670	CLTHXMPGDRJXTA-UHFFFAOYSA-N	378.520	4.603	70	10	GJIE	
C[C@H](CCC[C@@H](C)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2133911738	CCLZHSKHBIYJDT-RBSFLKMASA-N	393.279	4.546	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1F	2133914112	DPAHZCFGCUICNV-LLVKDONJSA-N	389.178	4.626	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	159724266	UXKREMSAFIMJJI-SFHVURJKSA-N	380.536	4.861	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1	1951939418	CPMIQJHVJWZUMS-SNVBAGLBSA-N	391.636	4.530	70	10	GJIE	
Cc1cc(OC/C=C/Br)c(C(C)(C)C)cc1S(=O)(=O)Cl	2170700105	XPUYLZUIRYKARX-AATRIKPKSA-N	381.719	4.507	70	10	GJIE	
Cc1nc(C)c([C@@H](C)N(C)Cc2nc3cc(Br)ccc3[nH]2)s1	159544581	NSNULSKYNDBOSL-SNVBAGLBSA-N	379.327	4.592	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1	217266377	WGXISCKLNZASTD-UHFFFAOYSA-N	394.811	4.537	70	10	GJIE	
CCCN(CCC)C(=O)NCCCOc1ccc(Br)cc1Cl	217299067	RQNYWMHKOLVYAR-UHFFFAOYSA-N	391.737	4.703	70	10	GJIE	
O=C(COc1ccc2ccccc2c1)Nc1ccsc1-c1nc(C2CC2)no1	217286315	JVHGKNBNSLTMAM-UHFFFAOYSA-N	391.452	4.846	70	10	GJIE	
CCOc1ccc([C@@H](N)c2cc(C)ccc2Br)c(Br)c1	161470924	JGJIJRDJAPBNOX-MRXNPFEDSA-N	399.126	4.967	70	10	GJIE	
CC(C)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280292	FKAZNGVTCCQJCX-UHFFFAOYSA-N	393.487	4.524	70	10	GJIE	
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC[C@@H](c2ccc(F)cc2)C1	217289503	UWCOMBHIBYUREC-CQSZACIVSA-N	385.863	4.577	70	10	GJIE	
C=CCCCCCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	236146008	YGAKEWYSFNOJKO-UHFFFAOYSA-N	385.682	4.641	70	10	GJIE	
CO[C@H](C)c1cccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)c1	161158263	QVSUYVKVQLRQNH-GFCCVEGCSA-N	387.277	4.819	70	10	GJIE	
N[C@H](Cc1ccc(F)cc1Br)c1ccc(Br)c(F)c1	161425646	ZTCWFPJKJQIVPC-CQSZACIVSA-N	391.053	4.732	70	10	GJIE	
Cc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1F	232318327	QTNZGOZYDMTDBX-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
C[C@@H]1Cc2cc(C(=O)c3cc(Br)ccc3Br)ccc2O1	159761771	MIJLQZALLHSXKV-SECBINFHSA-N	396.078	4.766	70	10	GJIE	
CCc1noc(C)c1NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F	160362920	HNUXLIYNFKWGRF-UHFFFAOYSA-N	377.750	4.784	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)n1	161366933	MMWDBCZSHGULIU-UHFFFAOYSA-N	396.878	4.681	70	10	GJIE	
Cc1ccccc1[C@H](CC(C)C)NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F	159756557	RYLZZYGOSKUTDV-KRWDZBQOSA-N	396.457	4.676	70	10	GJIE	
C[C@@H](NC(=O)C(C)(C)c1cccs1)c1noc(-c2ccc(Cl)cc2)n1	160308822	QEXSMWZSBSKHJQ-LLVKDONJSA-N	375.881	4.607	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(C)cc1	217297820	CUFRJXMSESUUPI-UHFFFAOYSA-N	384.476	4.543	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccc(Cl)cc2)cc1	217299611	JWKCDVLFHPDORL-UHFFFAOYSA-N	388.939	4.948	70	10	GJIE	
CCOc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1OCC	217302029	OGCGEQVDRSTHKH-UHFFFAOYSA-N	380.448	4.688	70	10	GJIE	
C[C@H](C(=O)N1CC[C@@](C)([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368345743	LSCUKJPXGADQIN-ORAYPTAESA-N	399.242	4.977	70	10	GJIE	
C[C@@H](OS(=O)(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	141722967	MQKJEIUKGUHXFK-RXMQYKEDSA-N	390.223	4.651	70	10	GJIE	
Cc1cccc([C@H](NC(=O)CCCc2ccc(F)c(F)c2)c2ccccn2)c1	159892621	YAVITINAKOKKJQ-QHCPKHFHSA-N	380.438	4.897	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@H]2CCc3cc(Cl)ccc32)cc1OC	161240730	QEHKYYFOTIUUBB-KUHUBIRLSA-N	375.896	4.712	70	10	GJIE	
CC(C)Sc1ccc(CC(=O)N(Cc2cccs2)C2CCOCC2)cc1	217290899	YYIQNMKHFAOIPA-UHFFFAOYSA-N	389.586	4.999	70	10	GJIE	
C[C@H](COCc1ccccc1)Cn1cc(S(=O)(=O)Cl)c2cc(F)ccc21	719562752	SGCJIFHBLKYSGE-AWEZNQCLSA-N	395.883	4.561	70	10	GJIE	
CC1(C)CCC[C@@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	2163860003	FZNQTLNWVUUOSL-LLVKDONJSA-N	381.719	4.724	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194129577	LHGGJSQGMHHBGX-GNXHCVBRSA-N	392.250	4.602	70	10	GJIE	
CC(C)(C)OC(=O)N[C@H](CBr)Cc1cccc(C(F)(F)F)c1	149021840	OOWFHGXYBOVZBS-LBPRGKRZSA-N	382.220	4.536	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c2ccccn2)c1	159945797	RJSPQALRDZKEJL-HYVJGQCMSA-N	399.494	4.504	70	10	GJIE	
C[C@H](O)c1ccccc1NC(=O)c1cc(Br)ccc1Br	160491844	OVIYKLQPKQMFHK-VIFPVBQESA-N	399.082	4.517	70	10	GJIE	
CCC(CC)(COc1ccc(Br)c(C)c1)CS(=O)(=O)Cl	161596930	WAEWKUVYOSFLNC-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
CCOc1ccc(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)cc1OCC	217290464	POQKWBWSWOMNOS-UHFFFAOYSA-N	392.883	4.912	70	10	GJIE	
Cc1cc(OCNC(=O)Nc2cccc(Br)c2)cc(C)c1Cl	217290631	CGBRVNDNQWLBMN-UHFFFAOYSA-N	383.673	4.877	70	10	GJIE	
O=C(NC[C@@H]1CCCN1c1ccccc1)c1cc(Br)ccc1Cl	217833564	WRPCYIKCEQJNGP-HNNXBMFYSA-N	393.712	4.501	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCC/C=C/Br)c(Cl)c1	2051141515	YXPRBVWDIAQPSC-HNQUOIGGSA-N	394.501	4.598	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C	2095921354	UJURASPQLUZHRS-UHFFFAOYSA-N	393.936	4.611	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c(C)c1Br	2234512943	OLJBUPHZIOHCFM-TVQRCGJNSA-N	381.046	4.581	70	10	GJIE	
Cc1noc(CCCC(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1	159640090	ZWLQFLPYQFOIOA-XUZZJYLKSA-N	389.499	4.678	70	10	GJIE	
C[C@H]1Cc2cc([C@H](N)c3cc(Br)ccc3Br)ccc2O1	159812751	PMSLSRLMGQTEAY-FVMDXXJSSA-N	397.110	4.583	70	10	GJIE	
CC[C@H](NC(=O)C[C@H](C)c1ccc(Br)cc1)c1c(C)noc1C	160425199	NSFBYMYYMGRHAL-ZBEGNZNMSA-N	379.298	4.815	70	10	GJIE	
Brc1ccc2ncnc(N[C@H]3CCO[C@H](c4ccccc4)C3)c2c1	160543124	RWCULDNCUXSMHV-YJBOKZPZSA-N	384.277	4.725	70	10	GJIE	
CC(C)=C(CN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21)[B-](F)(F)F	2340128981	DFPXUJQLNPZSOH-HDAAZOAOSA-N	377.283	4.552	70	10	GJIE	
Cc1c(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)cccc1C(=O)N1CCCC1	160680712	GYNIZNKOVSQHAH-OAQYLSRUSA-N	395.478	4.569	70	10	GJIE	
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1cccnc1	160831615	HKGGEKODGITHII-GFCCVEGCSA-N	390.274	4.516	70	10	GJIE	
CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1	161157077	MUROMQYLLPMMGI-JXFKEZNVSA-N	395.528	4.790	70	10	GJIE	
CC[C@H](C)c1ccccc1NC(=O)N[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	217284969	CHXLYCHHCHHONH-JENIJYKNSA-N	379.504	4.684	70	10	GJIE	
CC(C)(C)NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298463	AVWREKMKZHTTOX-UHFFFAOYSA-N	385.346	4.613	70	10	GJIE	
F[B-](F)(F)c1ccc(C(F)(F)F)c(OCCCOCc2ccccc2)c1	2056733160	AUEZGDVMLMDYOS-UHFFFAOYSA-N	377.113	4.746	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1Oc1cc(Cl)ccc1Br	2102559229	RKMZOMGXXGWUQQ-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ncc(-c3cccs3)o2)C1	161118609	USRWLUOXBQRDGO-HUUCEWRRSA-N	394.418	4.730	70	10	GJIE	
NC[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1c(F)cccc1Br	161334803	FGPTVICZKMIFFN-RFAUZJTJSA-N	393.083	4.671	70	10	GJIE	
COc1cc(NC(=O)NCCCOc2ccccc2Cl)c(OC)cc1Cl	217300154	MGKWQISFGUALOD-UHFFFAOYSA-N	399.274	4.601	70	10	GJIE	
F[B-](F)(F)c1ccc(C(F)(F)F)c(N2CC[C@@H](OCc3ccccc3)C2)c1	2116129483	VKWWHRJCTFQEIV-OAHLLOKOSA-N	388.140	4.555	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC1CCC1	2197493507	DZNVHYHRXGUYIO-UHFFFAOYSA-N	381.719	4.508	70	10	GJIE	
CC(C)OC1CCC(NC(=O)COC(c2ccccc2)c2ccccc2)CC1	159548791	FEIYVANNRCPKKS-UHFFFAOYSA-N	381.516	4.645	70	10	GJIE	
CC(C)N(CCc1nccs1)CC(=O)Nc1ccccc1Oc1ccccc1	159880106	FOCKYXBMVNWNRP-UHFFFAOYSA-N	395.528	4.827	70	10	GJIE	
CC[C@@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	160226880	QBQQMMNXRLYGBM-SKDRFNHKSA-N	399.709	4.863	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1	2190466143	XWJCCANRQJGSDQ-OAHLLOKOSA-N	399.242	4.806	70	10	GJIE	
O=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194135143	RQPBDOVGUBPKQB-NOZJJQNGSA-N	381.408	4.556	70	10	GJIE	
O=C(Nc1ccc2c(c1)CCC2)c1cc(Br)ccc1Br	160013648	HBWSYODLSQQIEZ-UHFFFAOYSA-N	395.094	4.953	70	10	GJIE	
CC(C)[C@@H](NC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccc(C(F)(F)F)cc1	160446049	VBDMIISSQSISRR-GOSISDBHSA-N	394.441	4.715	70	10	GJIE	
CCOc1cc(NC(=O)Nc2c(F)cccc2F)cc(OCC)c1OCC	217274723	XHMGTNBOHVSUAI-UHFFFAOYSA-N	380.391	4.805	70	10	GJIE	
Cc1ccc(NC(=O)NCOc2c(C)ccc(C)c2C)c(Br)c1	217295735	LTBIBLQGRPZAPQ-UHFFFAOYSA-N	377.282	4.841	70	10	GJIE	
COc1cc(NC(=O)NCCCOc2c(C)cccc2C)c(OC)cc1Cl	217298317	XAOUMBXXPRRWJW-UHFFFAOYSA-N	392.883	4.565	70	10	GJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[SiH2]O[C@@H]1CC=C[C@@H]1COCc1ccccc1	888086119	FSJRVBPZCFYJRB-KNQBKSORSA-N	388.624	4.641	70	10	GJIE	
COCC(C)(C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)c2ccsc12	2116131696	BQRUUHIMXLRDJT-UHFFFAOYSA-N	393.263	4.782	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c(F)c1	2133915912	LGMSNFWTKLAHIF-NSHDSACASA-N	389.178	4.626	70	10	GJIE	
CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1	59082724	AYIZIATXBMCQFA-SNVBAGLBSA-N	396.734	4.532	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	159445793	XQFRHYHZFQTIRM-KRWDZBQOSA-N	394.544	4.929	70	10	GJIE	
CCCOc1ccc([C@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1OCCC	159540157	SNGQXEOPVLOGFX-SJORKVTESA-N	377.525	4.504	70	10	GJIE	
O=C(Nc1ccc(I)cc1Cl)[C@H]1C[C@H]1c1ccccc1	218740713	SNWUWNWHPZWAAB-STQMWFEESA-N	397.643	4.687	70	10	GJIE	
O=C(c1ccc(Br)cc1Br)N(Cc1ccco1)C1CC1	218751297	WNRBGERFYYFMBI-UHFFFAOYSA-N	399.082	4.609	70	10	GJIE	
CC(C)N(CCc1nccs1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1	159764362	LGEATLNQLDJEKE-UHFFFAOYSA-N	396.438	4.665	70	10	GJIE	
Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1Oc1ccncc1	160512430	SWAQXJFCXHTCTR-KRWDZBQOSA-N	376.456	4.591	70	10	GJIE	
CC[C@@H](NC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2	217307992	HFBBNPDQMOCQDO-OAQYLSRUSA-N	396.531	4.576	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CC[C@H](C)[C@H](C)C1	113962217	UMCUKICPHXMOLG-OPQQBVKSSA-N	395.746	4.889	70	10	GJIE	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)o1	160113433	XSXMNEDRKZCOCS-WIYYLYMNSA-N	397.519	4.740	70	10	GJIE	
COCCCOc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1	161151327	CAPVKDHYZLTGRA-INIZCTEOSA-N	390.911	4.658	70	10	GJIE	
NC[C@H](c1ccc(Cl)cc1Cl)[C@H](O)c1c(F)cccc1Br	161332485	VFCUVLSKOQPVAA-BMIGLBTASA-N	393.083	4.671	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(-n2cccc2)cc1	217286072	HVJQGPJKPSSQNV-UHFFFAOYSA-N	376.441	4.719	70	10	GJIE	
C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)c1ccccc1	1536598942	CZODSEKTWMZVDP-SFHVURJKSA-N	395.883	4.826	70	10	GJIE	
O=C(c1cscc1OCc1ccccc1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2073757797	VIGUOIVZQLINNX-KBXCAEBGSA-N	380.220	4.781	70	10	GJIE	
C[C@H](OS(=O)(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	141722759	MQKJEIUKGUHXFK-YFKPBYRVSA-N	390.223	4.651	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1	160207360	WSQVTLZIHVSFGX-DNVCBOLYSA-N	393.491	4.872	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC	161228387	MPTIQZNPZUKXMK-VQIMIIECSA-N	385.504	4.673	70	10	GJIE	
F[B-](F)(F)c1cc(Cl)cnc1N(Cc1ccccc1)Cc1ccccc1	1953340164	YVYCNEZCGQITGJ-UHFFFAOYSA-N	375.610	4.996	70	10	GJIE	
Cc1ccc(CNC(=O)N(CCc2nccs2)C(C)C)c(OC(C)(C)C)c1	159651665	CPULEVWFPTXIMD-UHFFFAOYSA-N	389.565	4.792	70	10	GJIE	
CN(C(=O)Cc1ccc(NC(=O)NCCC2=CCCC2)cc1)c1ccccc1	161086887	TVSRUDNRFVTOON-UHFFFAOYSA-N	377.488	4.514	70	10	GJIE	
COc1ccc(N(C)C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1Cl	160250459	RSQALSICBVGKEY-UHFFFAOYSA-N	383.835	4.553	70	10	GJIE	
CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(Cn2ccccc2=O)cc1	161058707	CEXKUFPRIYZDAS-QGZVFWFLSA-N	396.918	4.800	70	10	GJIE	
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1csc([C@H]2CCCO2)n1	161091189	BWCHIQUUIIDQIQ-GOSISDBHSA-N	390.468	4.790	70	10	GJIE	
CC(C)c1cc(S(=O)(=O)F)ccc1OC(F)(F)C(F)(F)C(F)(F)F	675066274	KTNJUOUKYUCWNJ-UHFFFAOYSA-N	386.260	4.637	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c(F)c1	2342479566	ISSUSKHSTOPBSR-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
CC(C)C[C@H](COc1cccc(OCc2ccccc2)c1)CS(=O)(=O)Cl	2353830003	IGOOURIWCMUHAH-GOSISDBHSA-N	396.936	4.875	70	10	GJIE	
CCN(Cc1ccccc1NC(=O)N[C@H]1CC[C@H](C)c2ccccc21)C(C)=O	159439933	MBRSKXJRXVWHMP-AOMKIAJQSA-N	379.504	4.815	70	10	GJIE	
C[C@@H]1Cc2cc([C@H](N)c3cc(Br)ccc3Br)ccc2O1	159812653	PMSLSRLMGQTEAY-ABKXIKBNSA-N	397.110	4.583	70	10	GJIE	
CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)c1	159994173	PARCDQHVFJEYMZ-SJORKVTESA-N	397.519	4.801	70	10	GJIE	
CC(=O)N(Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1)C1CC1	160600472	VAGANPSQHVVQSS-IIBYNOLFSA-N	395.503	4.796	70	10	GJIE	
CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1	159377895	DCDYQZSKEUNDIN-FXAWDEMLSA-N	380.536	4.636	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1	217266390	WCYQOBQMTMZPJX-UHFFFAOYSA-N	378.812	4.836	70	10	GJIE	
C[C@@H]1CCC[C@@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191422339	SHYLYVLUJVLCJF-PSASIEDQSA-N	385.682	4.718	70	10	GJIE	
Cc1cccc([C@@H]2CCCN2Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1	159987648	BITMJNAUWPTUOG-KRWDZBQOSA-N	388.393	4.796	70	10	GJIE	
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1	160540913	KURCIKGWNSYWGH-NRFANRHFSA-N	396.535	4.865	70	10	GJIE	
CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(OC)c(F)c1)CCC2	160802099	TXHHVDSVLUGUFO-WBMJQRKESA-N	391.512	4.633	70	10	GJIE	
Cc1c(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cccc1N1CCOC1=O	161462351	DDJODEWZFPISAI-KBXCAEBGSA-N	383.448	4.550	70	10	GJIE	
Cc1cccc(C)c1OCCCC(=O)Nc1cccc(NC(=O)C(F)(F)F)c1	216766450	KXHOCXPGXDVZIZ-UHFFFAOYSA-N	394.393	4.602	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1	217281090	HQHDDCFUVFVTGO-UHFFFAOYSA-N	377.444	4.568	70	10	GJIE	
CCC(C)(C)CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	696748009	JZIRSNDGMRTOHH-UHFFFAOYSA-N	383.735	4.890	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OC[C@@H]2C=CCCCC2)c(Br)c1	1925860708	DGGJMHJZXXLKST-LLVKDONJSA-N	379.703	4.502	70	10	GJIE	
C[C@@H](C(=O)N1CCC([B-](F)(F)F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1	2239521770	XZEMAKGOQARLCS-CYBMUJFWSA-N	399.242	4.977	70	10	GJIE	
Cc1c(Br)cccc1[C@H](N)Cc1cc(Br)ccc1F	160348466	BIZZEBHARJIUNT-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1cc(C(=O)N(CC(C)C)CC(F)(F)F)ccc1NC(=O)c1cccs1	160663546	GDKPBJARUOSVPS-UHFFFAOYSA-N	398.450	4.969	70	10	GJIE	
CCc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)C2)n1	160802655	SJHMLQIYCQLXKB-HOJAQTOUSA-N	399.560	4.515	70	10	GJIE	
Cc1cc(NC(=O)N[C@H](C)Oc2ccc(Cl)cc2)ccc1Br	217295255	ZUMLJGIKCPGOBY-NSHDSACASA-N	383.673	4.957	70	10	GJIE	
CC[C@H](CCCN(CCC(F)(F)F)Cc1ccccc1)S(=O)(=O)Cl	1949716012	RVYGSJKMVXEGDJ-OAHLLOKOSA-N	385.879	4.568	70	10	GJIE	
O=C(c1cc(-c2cccnc2)on1)N1CCCC[C@@H]1CCCc1ccccc1	161163009	CWURDAGODZPZON-HXUWFJFHSA-N	375.472	4.754	70	10	GJIE	
CC(C)[C@H](C)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2132763352	SIGSNMLVCYTPFU-MRVPVSSYSA-N	390.126	4.701	70	10	GJIE	
O=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194135144	RQPBDOVGUBPKQB-RNCFNFMXSA-N	381.408	4.556	70	10	GJIE	
C[C@H](CCC[C@@H](C)C(=O)N1CC[C@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342474216	KDPAFHZULDPWKJ-LBTNJELSSA-N	393.279	4.546	70	10	GJIE	
CN[C@H](c1cc(Br)ccc1Br)[C@H](C)c1ccccn1	160811063	ABNZBCSOVZGSQH-BMIGLBTASA-N	384.115	4.671	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1ccccc1	1893842057	NZZZPYNVYGEJNZ-UHFFFAOYSA-N	389.698	4.518	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](CS(=O)(=O)Cl)C1CC1	1952683581	XPMLMCCAAORIDY-ZDUSSCGKSA-N	394.320	4.749	70	10	GJIE	
C[C@@H](COCc1ccccc1)COc1ccc(S(=O)(=O)F)cc1C(C)(C)C	2191431565	JHJHZQINSWJHNJ-INIZCTEOSA-N	394.508	4.874	70	10	GJIE	
Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C/C=C/c4ccc(F)cc4)C3)nc2c1	159995917	WVWBKOFYKUQNNI-BWDYHRDRSA-N	377.463	4.820	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)o1	160711834	DDNLMXASIQXAHU-UXHICEINSA-N	384.476	4.769	70	10	GJIE	
CC1(C)CCc2ccccc2[C@H]1NC(=O)Nc1ccc(CN2CCCC2=O)cc1	160745343	LTTTWQQGJRHTHE-JOCHJYFZSA-N	391.515	4.644	70	10	GJIE	
Cc1cc(Br)cc(CO)c1OCc1ccc(Br)cc1	160814550	MUQSDMBLCKRJBD-UHFFFAOYSA-N	386.083	4.591	70	10	GJIE	
O=C(NC1CCCCCCCCCCC1)N[C@H]1CC(=O)N(Cc2ccccc2)C1	217286830	YFKNRRWCJXASOM-QFIPXVFZSA-N	399.579	4.760	70	10	GJIE	
C[C@H](COCc1ccccc1)Cn1cc(S(=O)(=O)Cl)c2c(F)cccc21	719562644	RUEXBASRXYDXML-AWEZNQCLSA-N	395.883	4.561	70	10	GJIE	
CC(C)(C)OC(=O)N1CCN(c2cc(C[B-](F)(F)F)cc(N=[N+]=[N-])c2)CC1	1887505023	UNGIBHLTRAKGFM-UHFFFAOYSA-N	384.191	4.615	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CCC([B-](F)(F)F)CC2)c1	2239515721	NNNUOHMFTKVZMX-UHFFFAOYSA-N	397.226	4.887	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342473725	IIKYUINWOOHRIT-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
CCCCOC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115807809	NLFXREHIRPNJLC-UHFFFAOYSA-N	380.076	4.531	70	10	GJIE	
CC(=O)NCCCCCC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21	159493296	CWZNSOANOCYASG-UKILVPOCSA-N	392.543	4.661	70	10	GJIE	
Cc1cc(F)ccc1Oc1ccc(S(=O)(=O)Cl)cc1Br	160567810	GYNCNJLXEQZYDB-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCCCCC1CC1	2235461200	FNKPIYIZYSQICM-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
CCc1nc(CN2CCC(CNC(=O)CC/C=C/c3ccccc3)CC2)cs1	159795405	PHXOAQNDEWURHU-UXBLZVDNSA-N	397.588	4.527	70	10	GJIE	
Cc1nc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(C2CC2)n1	160061852	OYGMUBRNIJRPIT-UHFFFAOYSA-N	387.443	4.559	70	10	GJIE	
Cc1ccccc1CSc1nc(Cl)c2c(n1)S[C@@H]1CN(C)CC[C@H]21	216764529	TUIOBBHTDWPCCR-UONOGXRCSA-N	377.966	4.624	70	10	GJIE	
CS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1	217282642	MRMAOGCHOBAVCX-UHFFFAOYSA-N	395.569	4.853	70	10	GJIE	
O=S(=O)(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc2ccccc2c1	217286803	AJXWUKVYLPTDTP-UHFFFAOYSA-N	397.481	4.630	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1	2133911939	DQRCJOXMYMJUSF-AWEZNQCLSA-N	385.215	4.512	70	10	GJIE	
CC[C@H]1C[C@H]1CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	2236504353	VRIQYCRXZVNLBX-WDEREUQCSA-N	381.719	4.500	70	10	GJIE	
CC(C)CNCc1ncoc1-c1cc(Br)ccc1Br	161331575	CLDDCDRPTLKZDH-UHFFFAOYSA-N	388.103	4.612	70	10	GJIE	
CCOc1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1OCC	217286239	KGVUNWGLVLKILO-UHFFFAOYSA-N	399.472	4.725	70	10	GJIE	
O=C(N/C=C/c1ccccc1Br)NCCc1ccccc1Cl	217873978	OZRRIZQCIIXMKR-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
O=C(c1cccc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)C1CCCCC1	2095912108	CVAZRAMRITVPFX-UHFFFAOYSA-N	391.920	4.589	70	10	GJIE	
Cc1ccc(OCCCCCCCS(=O)(=O)Cl)cc1Br	2294701194	OQJBKQIMEWLVOV-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
CC[C@H](NC(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1)c1nccs1	159877475	LKFZXONCARRITH-AEFFLSMTSA-N	386.565	4.557	70	10	GJIE	
C[C@H](NC(=O)N[C@@H]1CCCc2cc(F)ccc21)c1ccc(NC(=O)C2CC2)cc1	160353003	WUFGMMXYITZMLE-LHSJRXKWSA-N	395.478	4.612	70	10	GJIE	
C[C@@H]1Cc2cc([C@H](O)c3cc(Br)ccc3Br)ccc2O1	161035210	GUJIRYYWALBDMK-ABKXIKBNSA-N	398.094	4.617	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CCC[C@@H]([B-](F)(F)F)C1	2070263435	HCFXHJIZPOEPCP-ZCFIWIBFSA-N	375.426	4.618	70	10	GJIE	
O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)OCc1ccccc1	142333141	TUJBHBMXGCYEIP-UHFFFAOYSA-N	375.833	4.516	70	10	GJIE	
COc1ccc([C@H](C)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(OC)c1	161095995	CURDMUCETMHFHT-XSLAUPDRSA-N	380.532	4.550	70	10	GJIE	
CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1	161397777	YJXHTPRTQGYRDX-DGCLKSJQSA-N	397.466	4.523	70	10	GJIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O	217280503	XGRBCURUVOSECT-UHFFFAOYSA-N	387.439	4.878	70	10	GJIE	
F[B-](F)(F)c1cnc(OCc2cc(Cl)cc(Cl)c2)c(Br)c1	2197921073	KJAVFHGSKCRDSR-UHFFFAOYSA-N	399.810	4.784	70	10	GJIE	
C[C@H](NCc1nc(-c2c(F)cccc2F)cs1)c1ccc(-n2cncn2)cc1	161416056	GDSMRBPHKZAADZ-ZDUSSCGKSA-N	397.454	4.520	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cc(Cl)ccc2Br)cc1	381116554	FPNOAZYNQRHMON-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC(C)(CCCc1ccc(NC(=O)OC(C)(C)C)cc1)CS(=O)(=O)Cl	1952628157	MGYIQXXEBSIUGK-UHFFFAOYSA-N	389.945	4.951	70	10	GJIE	
CC(C)(C)C[C@H](CC(=O)N1CC[C@@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342473333	HEGFQJAMKXGTQQ-SCLBCKFNSA-N	393.279	4.546	70	10	GJIE	
Cn1c([C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)nc2ccccc21	160007679	HEUATXNDOFPNGQ-LJQANCHMSA-N	383.442	4.604	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1ccccc1CCC(F)(F)F	160508427	PHKWATPRICQXAS-UHFFFAOYSA-N	380.414	4.815	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)NC(=O)Nc2ccc(Br)cn2)cc1	217296789	BBOGLVPQDZXKIR-LBPRGKRZSA-N	378.270	4.514	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCCC1CCCC1	2191422225	RJBGJSDKQQLSCZ-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
CCC(F)(F)CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191427821	GLWJDQQVNXKDON-UHFFFAOYSA-N	395.624	4.575	70	10	GJIE	
C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC([B-](F)(F)F)CC1	2231059200	CYJHYFQZBSVMQR-UONOGXRCSA-N	393.279	4.546	70	10	GJIE	
COCc1nc(-c2ccc(Cl)c(Br)c2)sc1CNC1CC1	159365507	BDSLSRPVQQYPFU-UHFFFAOYSA-N	387.730	4.624	70	10	GJIE	
C=C(Br)CCOc1ccc(S(=O)(=O)Cl)cc1[C@H](C)CC	2163423251	LVJNRLDMCJPRDR-SNVBAGLBSA-N	381.719	4.805	70	10	GJIE	
C[C@]1([B-](F)(F)F)CCN(C(=O)C2CC3(CC(OCc4ccccc4)C3)C2)C1	2342468061	HBPONHPLERYUSX-JLYZFGFVSA-N	380.239	4.602	70	10	GJIE	
COC(=O)c1csc(NC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1	161081841	SKLKTBRIMIHBCI-LBPRGKRZSA-N	393.534	4.526	70	10	GJIE	
O=C(N/C=C/c1cccc(Br)c1)NCCc1cccc(Cl)c1	218092145	ATHMIDSKVQDUFS-VQHVLOKHSA-N	379.685	4.615	70	10	GJIE	
CCC[C@@H](NC(=O)N(CCc1nccs1)C(C)C)c1ccc(F)cc1F	159826767	JUAILIQQDAZWDY-QGZVFWFLSA-N	381.492	4.925	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)c2csc(Br)c2)c2ccccn2)c1	160197487	FEDANRQUVRPHMG-QGZVFWFLSA-N	387.302	4.733	70	10	GJIE	
CN(C)C(=O)Nc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)c(Cl)c1	160239705	ZWJFUGDPEIJLGJ-IBGZPJMESA-N	397.862	4.546	70	10	GJIE	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NC1CCC(CN(C)C)CC1	160971264	OUBUDBNDOAOGOE-HDYDNRTBSA-N	386.584	4.616	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2C1=O	217279292	LFOHNTLSTFNUJG-UHFFFAOYSA-N	379.460	4.633	70	10	GJIE	
C[C@@H](Oc1ccc(S(=O)(=O)Cl)cc1Br)C1CCCCC1	719705027	XRJKCKIPLXHZGD-SNVBAGLBSA-N	381.719	4.724	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](c1ccc(Br)c(C(F)(F)F)c1)C1CC1	1951919048	NCGPSSKQEDXXRH-SECBINFHSA-N	391.636	4.530	70	10	GJIE	
CCN(CCCOCc1ccccc1)c1nc2ccc([B-](F)(F)F)cc2s1	2279022088	YVVRYNVUQKVYMU-UHFFFAOYSA-N	393.263	4.784	70	10	GJIE	
Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c(OCCN(C)C)c1	160681729	DAPFECPFVBSIGO-MJGOQNOKSA-N	385.508	4.534	70	10	GJIE	
O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1	161020891	CPXSKLOHQRDTHB-OALUTQOASA-N	390.405	4.534	70	10	GJIE	
O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1csc([C@H]2CCCO2)n1	161490449	GBVSGXVZAXXWQH-GOSISDBHSA-N	394.500	4.700	70	10	GJIE	
O=S(=O)(Oc1ccc2c(c1)CCC=C(c1ccccc1)CCO2)C(F)(F)F	1081258052	OURANXONQYRTGF-UHFFFAOYSA-N	398.402	4.714	70	10	GJIE	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21	159969406	UOAVXHCTFOOPBT-VLIAUNLRSA-N	377.488	4.647	70	10	GJIE	
O=C(Nc1ccccc1CN1CCSCC1)N[C@H]1CCCc2cc(F)ccc21	160585585	SEYHVWBDJKTKIB-NRFANRHFSA-N	399.535	4.574	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)c3ccc(CCC(F)(F)F)cc3)c2)no1	161318094	ILDJSHAPEFEPEL-UHFFFAOYSA-N	375.350	4.792	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1OC	217308125	WCFBIMFPBRAOCF-UHFFFAOYSA-N	383.275	4.765	70	10	GJIE	
CC[C@H](C)[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	319974289	IUESDTCZNMHURU-JGVFFNPUSA-N	390.126	4.843	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1	2133915575	KJTALACSCKNYDL-ZDUSSCGKSA-N	385.215	4.796	70	10	GJIE	
O=C(c1cc(F)c(Br)cc1Cl)N1CCC([B-](F)(F)F)CC1	2282982952	IGOXMXDLJKLKHL-UHFFFAOYSA-N	387.387	4.695	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)c(NC(=O)OC(C)(C)C)c1C	2342481679	SVGDZYCXSRXCBT-CYBMUJFWSA-N	385.215	4.714	70	10	GJIE	
CCCCn1ncc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1C	160633187	BIGLKXSRRBFFKK-UHFFFAOYSA-N	389.805	4.838	70	10	GJIE	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161458646	ZHDGCGACWORZRX-KUHUBIRLSA-N	397.475	4.858	70	10	GJIE	
CC(=O)Nc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)cc1	217299231	VXQAAUCXNXXUCR-UHFFFAOYSA-N	383.492	4.533	70	10	GJIE	
COC[Si@H](O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	1933252984	CDDPPEGVOOEXFG-YZIUOBDKSA-N	380.645	4.855	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2-c2nncn2CC)o1	160203182	PZHLSKRMHAMPST-LJQANCHMSA-N	393.491	4.880	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1	160796677	KSBKNBULMPEOKU-QZTJIDSGSA-N	390.531	4.675	70	10	GJIE	
Cc1ncc(Br)cc1Oc1ccc(S(=O)(=O)Cl)cc1Cl	2279943907	QQMGICWVUSZTJT-UHFFFAOYSA-N	397.077	4.526	70	10	GJIE	
CC(=O)c1cc(F)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1	218469691	AAVJLJOINKIHJK-UHFFFAOYSA-N	380.297	4.676	70	10	GJIE	
O=C(N/C=C/C1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	218585113	GRDJHTADOCXTHJ-FOCLMDBBSA-N	389.543	4.807	70	10	GJIE	
O=C(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194123688	KXIKGBDTHPNPQU-RNCFNFMXSA-N	381.408	4.556	70	10	GJIE	
C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(F)c(Br)cc2Cl)C1	2368344187	XMFUKRBAXPWDSC-LBPRGKRZSA-N	387.387	4.695	70	10	GJIE	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1[nH]c2ccc(C)cc2c1C	161104662	YTIPMAXKBJYNAV-UHFFFAOYSA-N	377.488	4.502	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n1	161445480	ADQLABSEDWMLLQ-ZBFHGGJFSA-N	382.414	4.616	70	10	GJIE	
C[C@@H](CC(=O)N(C[C@@H]1CCCO1)c1ccncc1)c1cccc(C(F)(F)F)c1	160007662	KHDPQGYOHRCNQV-KXBFYZLASA-N	392.421	4.806	70	10	GJIE	
Cc1nc2ccc(NC(=O)Nc3ccc(N4CCCCC4)cc3)cc2nc1C	217302112	DIMIOAOKYDSRIS-UHFFFAOYSA-N	375.476	4.881	70	10	GJIE	
COc1ccc(CCNC(=O)N(Cc2ccccc2)c2ccccc2)cc1OC	217308039	PDQMCJHARQQMCV-UHFFFAOYSA-N	390.483	4.663	70	10	GJIE	
CCC(CC)(COc1ccc(C)cc1Br)CS(=O)(=O)Cl	115562845	DPGMZEUKYFIBFP-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
O=C(Nc1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217305734	NLNZGURIZIFGJY-UHFFFAOYSA-N	377.513	4.687	70	10	GJIE	
CC(C)N(CCc1nccs1)Cc1cccc(C(=O)Nc2ccccc2)c1	159881025	XHULZFUNIRLQHG-UHFFFAOYSA-N	379.529	4.849	70	10	GJIE	
CN(CC1CCOCC1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1	161162134	FKUNSLDWDKKQOZ-UHFFFAOYSA-N	388.895	4.809	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c(Br)c1	217302195	KORRIACMJVVDFS-UHFFFAOYSA-N	385.265	4.962	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C(C)C)cc1OCCOCc1ccccc1	304575426	ITAXFFGENKHEFF-UHFFFAOYSA-N	382.909	4.642	70	10	GJIE	
COc1ccc([C@H](C)NCCSc2ccc(Cl)cc2)cc1NC(C)=O	160079330	FMRJWHOZRPBSEO-ZDUSSCGKSA-N	378.925	4.750	70	10	GJIE	
Cc1ccccc1[C@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)C(C)(C)C	160852140	MHKAUJWVPCLZFL-KRWDZBQOSA-N	396.457	4.676	70	10	GJIE	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NC1CCC(CN(C)C)CC1	160971385	OUBUDBNDOAOGOE-XEVCZEQESA-N	386.584	4.616	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1F	2342481081	RBJTWZKRBGWVBC-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)c2[nH]c3ccccc3c2Br)n1	161388064	ZMTOZTMHLJOCIT-UHFFFAOYSA-N	395.260	4.677	70	10	GJIE	
Cc1ccc([C@H](N)Cc2ccc(F)cc2Br)c(Br)c1	161415429	FTFXXYYDUAJTIU-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
O=S(=O)(Cl)c1ccc(C(F)(F)F)c(OC(F)(F)F)c1C(F)(F)F	2055423072	NXFWOULNOIKBIL-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194128046	MXHMQQZMAMCBAJ-BFUOFWGJSA-N	397.226	4.796	70	10	GJIE	
COc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1C	160491014	PWMVNFNTTOWIGG-UHFFFAOYSA-N	399.082	4.781	70	10	GJIE	
Cc1cc(C[C@H](C)NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)n[nH]1	161217026	XPRQMDZFOQOSEH-INIZCTEOSA-N	398.510	4.532	70	10	GJIE	
Fc1ccc(Br)c(CNCc2ccc(Br)c(F)c2)c1	161298855	WWDJVPLOKWDOAK-UHFFFAOYSA-N	391.053	4.780	70	10	GJIE	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161464057	XDSOULHSSDIZNN-IFXJQAMLSA-N	397.475	4.858	70	10	GJIE	
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H](c2ccccc2)C1	217288472	FOOHQDJSUZDRBW-MRXNPFEDSA-N	383.435	4.664	70	10	GJIE	
Cc1c(N=[N+]=[N-])cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1	1887521365	GFYWNEIIRXFBOG-UHFFFAOYSA-N	398.218	4.923	70	10	GJIE	
Cc1cc(Cl)cc(C)c1Oc1ncc([B-](F)(F)F)cc1Br	2172629675	AVWOTLRCHQOEIC-UHFFFAOYSA-N	379.392	4.961	70	10	GJIE	
CC[C@@H]1CCCC[C@@H]1Oc1ccc(Br)cc1S(=O)(=O)Cl	111779797	FZSOBVKGTOEOGB-PWSUYJOCSA-N	381.719	4.724	70	10	GJIE	
COC(=O)c1sc(-c2cc(C(F)(F)F)ccc2Br)cc1N	159787548	HXPYSHVNOHMMFZ-UHFFFAOYSA-N	380.185	4.565	70	10	GJIE	
c1cc(-c2nc(CN3CCCC[C@H]3c3nnc4n3CCCC4)cs2)cs1	160589781	GAIBAYCVNXKHSW-INIZCTEOSA-N	385.562	4.527	70	10	GJIE	
C[C@@H]1C[C@H]1CCCCOc1ccc(S(=O)(=O)Cl)cc1Br	2280448717	XZZMTSKMOIWBEG-GHMZBOCLSA-N	381.719	4.582	70	10	GJIE	
CCN(C(=O)N[C@@H](c1ccco1)c1ccccc1OC)[C@@H](C)c1cccnc1	160780968	KXRQAKKETVWASM-HRAATJIYSA-N	379.460	4.565	70	10	GJIE	
CC(=O)N(Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)cc1)C1CC1	160600072	HGTYOEIJGBCQDJ-OAQYLSRUSA-N	395.503	4.858	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N1CCCC[C@@H]1c1nccs1)c1ccco1	160714354	LUVQNSIVKAYIFG-VQIMIIECSA-N	397.500	4.771	70	10	GJIE	
CCc1n[nH]c(-c2ccccc2NC(=O)c2sc(C3CCCC3)nc2C)n1	161353822	AFZGMYIULOMFSH-UHFFFAOYSA-N	381.505	4.709	70	10	GJIE	
COc1ccccc1-c1cc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)[nH]n1	217289179	NVCBZFYVYXRPNS-KRWDZBQOSA-N	393.462	4.634	70	10	GJIE	
C[C@@H](O)c1ccccc1NC(=O)c1cc(Br)ccc1Br	160491963	OVIYKLQPKQMFHK-SECBINFHSA-N	399.082	4.517	70	10	GJIE	
CCCn1ncc(Cl)c1[C@@H](CSc1ccc(Br)cc1)NC	160693034	FIHPZRSUPZIVFS-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
C=C/C=C/CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	713680628	WNMWQPJUUAMJLM-ONEGZZNKSA-N	386.094	4.541	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)cc1	2194132753	LRZWCWLLRXQPHK-IFXJQAMLSA-N	397.226	4.512	70	10	GJIE	
Cc1cccc([C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c2ccccn2)c1	159793191	WMNYZJKBSWMXBU-FGSXEWAUSA-N	378.422	4.678	70	10	GJIE	
CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1	161157199	MUROMQYLLPMMGI-OXJNMPFZSA-N	395.528	4.790	70	10	GJIE	
C[C@@H](CCOc1cccc(OCc2ccccc2)c1)CCS(=O)(=O)Cl	399197868	YLRRPEMADMIQGA-INIZCTEOSA-N	382.909	4.629	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c(F)c1	2133915910	LGMSNFWTKLAHIF-LLVKDONJSA-N	389.178	4.626	70	10	GJIE	
Cc1ccccc1COc1cccc(-c2nc(C)c(S(=O)(=O)Cl)s2)c1	103846980	DSQJTXQFETUFHT-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)n[nH]1	159470906	GRBGZXSVNHQYNZ-SJLPKXTDSA-N	392.503	4.919	70	10	GJIE	
O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	161009975	ZOUWLPMOTSGKHF-CFYSCFQDSA-N	380.467	4.596	70	10	GJIE	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161273402	JCDRLKKYYCQHSE-DNVCBOLYSA-N	396.491	4.513	70	10	GJIE	
C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	252113332	JWRKCNDFOZDNNI-URLYPYJESA-N	381.719	4.580	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(Cl)ccc1[C@@H](CS(=O)(=O)Cl)C1CC1	1952681760	BFEOTLLTAUKKMH-ZDUSSCGKSA-N	394.320	4.749	70	10	GJIE	
CCCN[C@H](c1cc(Br)cs1)c1c(Cl)cnn1CCC	159896308	PPDPYJGNOZECFY-CYBMUJFWSA-N	376.751	4.860	70	10	GJIE	
Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(COC4CCCC4)cc3)C2)c1	160556598	SGAHZQOECUYHEU-HXUWFJFHSA-N	382.508	4.520	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccc(Cl)cc1Cl	160769778	GEDGQBARTXIHJC-MRVPVSSYSA-N	381.185	4.635	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1(CC)CC1	2197460918	GAOIRLCKDOYTOS-UHFFFAOYSA-N	381.719	4.508	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342479925	LUQUQVOATDEIMU-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
CC[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1	161086227	GWPSSHYLJOYLLA-RNCFNFMXSA-N	391.846	4.883	70	10	GJIE	
O=C(COc1ccc2ccccc2c1)N(CCc1cccs1)C1CCOCC1	217291395	MLTSVTODHSFTBL-UHFFFAOYSA-N	395.524	4.530	70	10	GJIE	
Cc1cc(C)cc(CSc2ncc([B-](F)(F)F)cc2Br)c1	2172767994	BTDDOHJBNBXVDX-UHFFFAOYSA-N	375.042	4.808	70	10	GJIE	
C[C@H]1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)[C@@H](c2ccco2)C1	159931153	DLTCGQHUSCSMIM-PKOBYXMFSA-N	394.475	4.560	70	10	GJIE	
CO[C@H](C)c1cccc(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1	160358046	LMMZEGPTKPRNQT-CYBMUJFWSA-N	397.302	4.727	70	10	GJIE	
CC(C)(C)c1ccc(C[C@H](N)c2csc(I)c2)cc1	161299684	BULYQKCGVSLSQA-AWEZNQCLSA-N	385.314	4.893	70	10	GJIE	
Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1	161388503	RBMLWQUTXWLVKK-CQSZACIVSA-N	378.476	4.877	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cc(Cl)cc(Br)c2)cc1	700477272	YATGWKLRCBJCLS-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](COc1cccc(OCc2ccccc2)c1)C1CCC1	2089764362	QMAZXSVCJNMOTJ-GOSISDBHSA-N	394.920	4.629	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)c1C	2342486778	YTMYGDBBWOPMCH-CYBMUJFWSA-N	385.215	4.714	70	10	GJIE	
CC[C@@H](C)OC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115808079	IUTHCIVQIUTNEJ-RXMQYKEDSA-N	380.076	4.530	70	10	GJIE	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(-c3ccccn3)c2)s1	160273629	WTTOLVHZSQZYOK-OAHLLOKOSA-N	380.517	4.725	70	10	GJIE	
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N(C)c2cccc3ccccc23)c1	160742745	YYBYNFDGXNCDKR-UHFFFAOYSA-N	381.863	4.863	70	10	GJIE	
Cc1ccc(-c2noc([C@H](C)N[C@H](C)c3ccccc3-n3cccn3)n2)cc1F	160847752	AHZKHLVWVOHODR-CVEARBPZSA-N	391.450	4.782	70	10	GJIE	
Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1	161457179	NHLVZZLFHXFZAG-KSSFIOAISA-N	383.448	4.550	70	10	GJIE	
Cc1cccc(C)c1OCCCC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1	216756086	QDWVIRJCUIDXCO-UHFFFAOYSA-N	394.393	4.602	70	10	GJIE	
CC(C)(C)[C@H](COc1ccc(OCc2ccccc2)cc1)CS(=O)(=O)Cl	311126119	GTCKFGDGRDVTAZ-QGZVFWFLSA-N	396.936	4.875	70	10	GJIE	
O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCCC1=CCCC1	160316221	LIJHFMDBDJOLCS-UHFFFAOYSA-N	379.485	4.599	70	10	GJIE	
C[C@@H](NC(=O)N[C@@H]1CCCc2cc(F)ccc21)c1ccc(NC(=O)C2CC2)cc1	160353122	WUFGMMXYITZMLE-SPLOXXLWSA-N	395.478	4.612	70	10	GJIE	
O[C@H](Cc1nc2ccccc2o1)c1cc(Br)ccc1Br	161316580	VJLJJJNTLODKMG-CYBMUJFWSA-N	397.066	4.629	70	10	GJIE	
CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133913867	QNMZROXCCZZUTN-GJZGRUSLSA-N	393.279	4.548	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ccccc1Br	59093409	JYZBMGGOLFBELX-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
C[C@@H](NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(-n2ccnc2)cc1	161085653	YKBLGYCSAGVCTI-YPVJXNBJSA-N	386.543	4.719	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)NC2CCCC2)c(Br)c1	217298457	QSXRLQFOEMDJMS-UHFFFAOYSA-N	397.357	4.757	70	10	GJIE	
COc1ccc(N(C)C(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1Cl	160249889	PINSYVLFVOPLSZ-UHFFFAOYSA-N	383.835	4.553	70	10	GJIE	
CC(C)(C)C[C@H](CC(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231044150	HAKDWWMSDGONFJ-AWEZNQCLSA-N	393.279	4.546	70	10	GJIE	
C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(F)c(Br)cc2Cl)C1	2368344186	XMFUKRBAXPWDSC-GFCCVEGCSA-N	387.387	4.695	70	10	GJIE	
CCc1ccc(COc2ccc(Br)cc2S(=O)(=O)Cl)cc1	88270669	LCBWQDQDKIZSDC-UHFFFAOYSA-N	389.698	4.518	70	10	GJIE	
COc1cc(Br)ccc1[C@@H](N)c1cc(C)c(Br)cc1C	160647486	YTOBDWLSPVMSSJ-MRXNPFEDSA-N	399.126	4.885	70	10	GJIE	
O=C(Nc1cccc(NC(=O)c2ccoc2)c1)N[C@@H]1CCCc2cc(F)ccc21	160677960	GXWGGMALGFAABQ-HXUWFJFHSA-N	393.418	4.870	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCCOCc2ccccc2)c(Cl)c1Cl	390780996	QWWWLJUDFXXLHL-UHFFFAOYSA-N	395.691	4.517	70	10	GJIE	
O=C(CSc1nncs1)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21	159583552	CIFZOUXOWURSPT-UYAOXDASSA-N	395.553	4.608	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1	160483258	PQUKRWKXNLYARA-UHFFFAOYSA-N	397.862	4.766	70	10	GJIE	
Cc1cc(Br)cc(CN)c1OCc1ccccc1Br	160639178	NFINAQAQEPDLHS-UHFFFAOYSA-N	385.099	4.558	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@@H](N[C@@H](CC)c1nccs1)c1ccccc1	161097714	FRUUJMQHKWHHQH-PXNSSMCTSA-N	395.528	4.963	70	10	GJIE	
COc1ccc([C@@H](C)NCc2csc(-c3ccccc3)n2)cc1NC(C)=O	161490279	UVFUXMFEEJGDEB-CQSZACIVSA-N	381.501	4.628	70	10	GJIE	
CCc1cc(Br)ccc1Oc1ccccc1S(=O)(=O)Cl	2197472164	FWNSJZNSQZZZEP-UHFFFAOYSA-N	375.671	4.731	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1OCc1cc(Cl)ccc1Br	2200742115	XBTGNNYJFFIKDI-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
C[C@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1Br	160023729	HHXABTLGRPPBLW-JTQLQIEISA-N	395.094	4.803	70	10	GJIE	
NN[C@@H](CCCC(F)(F)F)c1cc(Br)c(Br)s1	160332265	LZMRUVJCTWRTBT-LURJTMIESA-N	396.070	4.510	70	10	GJIE	
O=C(NCc1cccc2ccccc12)N(CCc1cccs1)C1CCOCC1	217291618	PAJAKFSUYUIKNP-UHFFFAOYSA-N	394.540	4.835	70	10	GJIE	
CO[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl	218322986	DSFKUTHCLWEZIE-MRXNPFEDSA-N	388.678	4.530	70	10	GJIE	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cc(-c3nnco3)ccc2C)o1	160191597	UBFLIQSWVXDVMJ-FZKQIMNGSA-N	380.448	4.952	70	10	GJIE	
CSc1ccc(Oc2ncc([B-](F)(F)F)cc2Br)cc1C	2236028811	VTESVRHXYTZPMD-UHFFFAOYSA-N	377.014	4.721	70	10	GJIE	
CN[C@H](c1ccc(OC)cc1C)c1cc(Br)ccc1Br	159818107	ZWZOAGQMSATEJV-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccncc2Cl)c(Cl)c1Cl	215808879	LAUORDBIMKTHER-UHFFFAOYSA-N	387.071	4.548	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3cc(Cl)ccc3Cl)cc2C1=O	217279046	GUFKMVZITLPKPV-UHFFFAOYSA-N	392.242	4.642	70	10	GJIE	
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1ccccn1	160808610	SWFYGTAZTAPGGT-GFCCVEGCSA-N	390.274	4.516	70	10	GJIE	
COc1ccccc1Oc1ccc(-c2nc(C)c(S(=O)(=O)Cl)s2)cc1	103835437	WJAOLTIJAORHBS-UHFFFAOYSA-N	395.889	4.847	70	10	GJIE	
CCCN(CCc1ccccn1)C(=O)Nc1cccc(N2CCC(C)CC2)c1	159677982	XKLIATWZCHKOPZ-UHFFFAOYSA-N	380.536	4.805	70	10	GJIE	
CC1(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CCCC1	196588217	ARPVUQFJWDOUET-UHFFFAOYSA-N	386.475	4.932	70	10	GJIE	
C=CCCC[C@@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)c1ccccc1	1132439069	QJOKHVJXOAKEEV-GOSISDBHSA-N	393.455	4.704	70	10	GJIE	
CCc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1	217281269	WKAVRZZAYSULAH-UHFFFAOYSA-N	391.471	4.822	70	10	GJIE	
Cc1cccc(N2CCN(C(=O)N[C@@H](C)Oc3ccccc3C(C)C)CC2)c1C	217292415	AMNCZAXKVXEJFP-HXUWFJFHSA-N	395.547	4.683	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccccc1Br	217314246	VGBKRYGRBVQFNL-AWEZNQCLSA-N	391.309	4.717	70	10	GJIE	
CCCCOc1ccc(NC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1	217606408	RKEJMPYJIXCJCA-HSZRJFAPSA-N	394.471	4.559	70	10	GJIE	
CC(C)CC[C@@H](C)Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	2146476985	YYTQJHKGFOJIOC-SECBINFHSA-N	387.698	4.719	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC1C[C@@H](C)C[C@@H](C)C1	113948786	QGJYXHAKECQBND-HWYHXSKPSA-N	395.746	4.889	70	10	GJIE	
CCS[C@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(Cl)s2)n1	159944708	HOAWEYGQQPBVHT-VHSXEESVSA-N	388.946	4.501	70	10	GJIE	
CCN[C@@H](CSc1ccc(Cl)cc1)c1c(Br)cnn1CC	160767615	DLWFOJVAXKUQQH-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
CCN[C@H](Cc1ccc(C)cn1)c1cc(Br)ccc1Br	160815720	KNGBWSOIIIYQPZ-MRXNPFEDSA-N	398.142	4.808	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)Nc1ccccc1I	217272766	DPIVUZCJTVFUBX-UHFFFAOYSA-N	386.620	4.897	70	10	GJIE	
CC(C)(C)[C@@H](COc1ccc(OCc2ccccc2)cc1)CS(=O)(=O)Cl	311126118	GTCKFGDGRDVTAZ-KRWDZBQOSA-N	396.936	4.875	70	10	GJIE	
O=C(Nc1ccccc1C(F)(F)F)N(Cc1cccs1)C1CCOCC1	217291001	LVMFKWRJOIRKOC-UHFFFAOYSA-N	384.423	4.980	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2	217298110	SKXKHEBHAUQXFJ-SDOQWUHBSA-N	384.564	4.976	70	10	GJIE	
O=C(NC[C@H]1CCCN1c1ccccc1)C1c2ccccc2Oc2ccccc21	217817943	OYZGEOBPYFEWCE-LJQANCHMSA-N	384.479	4.709	70	10	GJIE	
CC(C)(C)[C@@H](COc1cccc(OCc2ccccc2)c1)CS(=O)(=O)Cl	399198546	YQNNQTVXNAXIGS-KRWDZBQOSA-N	396.936	4.875	70	10	GJIE	
C[C@@H]1CCCC[C@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191426985	WNRHAYKHLKWILC-LDYMZIIASA-N	385.682	4.718	70	10	GJIE	
C[C@@H]1CC(Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@@H](C)C1	113948746	JWRKCNDFOZDNNI-UWVGGRQHSA-N	381.719	4.580	70	10	GJIE	
CC[C@H](N[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1)c1nccs1	161126181	KHXRXRNCFWFGSW-RBUKOAKNSA-N	381.501	4.572	70	10	GJIE	
CC(C)(C)NCc1ncc(-c2cc(Br)ccc2Br)o1	161255958	SVLSYBJGHRPVHI-UHFFFAOYSA-N	388.103	4.755	70	10	GJIE	
Cc1cc(O[C@@H](c2ccccc2Br)[C@H](C)N)ccc1Br	161495799	KDIUZYRXVIGXMT-MEDUHNTESA-N	399.126	4.987	70	10	GJIE	
CCC(CC)(COc1cc(C)cc(Br)c1)CS(=O)(=O)Cl	2168699299	AAKCRAPGEZJHEB-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
C[C@@H](CC1CC1)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2335184910	KAYYQTAOURXQMU-ZETCQYMHSA-N	388.110	4.597	70	10	GJIE	
CCSc1ccccc1[C@H](C)NCc1ccc(Cn2ccccc2=O)cc1	161059417	CLZQIDOFFLEBGQ-SFHVURJKSA-N	378.541	4.859	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1	2342482234	LOGLVJSTKHKDSF-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160873138	KLHNKLSGHNIFGR-IBGZPJMESA-N	383.492	4.611	70	10	GJIE	
CC[C@H](N[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1nccs1	161149714	XLABEWUYNZXWEB-APWZRJJASA-N	379.529	4.802	70	10	GJIE	
C[C@H](c1ccc(Cl)cc1)N(C(=O)CCc1cc2ccccc2[nH]c1=O)C1CC1	161243735	BLSHCGUJLGHDKA-OAHLLOKOSA-N	394.902	4.866	70	10	GJIE	
COc1cc(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c(OC)cc1Cl	217290739	HCVNRQLSUGVRNE-UHFFFAOYSA-N	399.274	4.785	70	10	GJIE	
Cc1ccc(NC(=O)NCCCOc2ccccc2C)c(Br)c1	217300493	JYWLROIKZAITPH-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
C[C@H](NC(=O)NCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2	217315400	XOOCARYCBLEVBJ-UGFPPAMCSA-N	391.353	4.853	70	10	GJIE	
C[C@@H](Cc1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)S(=O)(=O)F	1952833368	JDIPSJHWCILWRW-QMMMGPOBSA-N	386.272	4.571	70	10	GJIE	
N[C@@H](Cc1cc(Br)ccc1F)c1cc(F)ccc1Br	160380866	ZZVQKZHJVOHZQY-AWEZNQCLSA-N	391.053	4.732	70	10	GJIE	
CCN(C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)[C@H](C)c1cccnc1	161172831	TUMYKQDOFXVJHQ-JKSUJKDBSA-N	385.483	4.863	70	10	GJIE	
O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1	216807720	UXNUODZTLJIGPL-UHFFFAOYSA-N	398.384	4.784	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OC[C@@H]1C=CCCCC1	1925862461	MXUUFBPCIXXWSM-LLVKDONJSA-N	379.703	4.502	70	10	GJIE	
O=C(N[C@@H](c1ccccc1)c1ccco1)N[C@@H]1CCO[C@@H](c2ccccc2)C1	159518123	QACIKZLRUMIWEL-FCEUIQTBSA-N	376.456	4.589	70	10	GJIE	
CC(C)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1	160813741	XYLCEAQMOQNYEJ-QZTJIDSGSA-N	376.504	4.674	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)N[C@@H](C)c3ccc(Cl)s3)ccc21	160870421	CJMCTKUNWYCASB-NSHDSACASA-N	377.897	4.583	70	10	GJIE	
C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133911739	CCLZHSKHBIYJDT-RRFJBIMHSA-N	393.279	4.546	70	10	GJIE	
COc1ccccc1CN(C(=O)NCc1cccc(-c2ccccn2)c1)C1CC1	160342193	OGQOZTFZYPNXLC-UHFFFAOYSA-N	387.483	4.631	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1	2133915983	LNUVNFCVTHARGB-NSHDSACASA-N	389.178	4.626	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cc(Br)ccc2Cl)cc1	112393547	YSJRECSZTYCQDH-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CCN[C@@H](c1ncc(Cl)cc1Cl)c1c(Br)cnn1C(C)C	161276910	POCMMYLZYRBJGJ-ZDUSSCGKSA-N	392.128	4.627	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1(C)CC(C)C1	2279359501	INRSPODJNPMYRY-UHFFFAOYSA-N	381.719	4.500	70	10	GJIE	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(-c2ccccn2)c1	160162745	XEMLVTHFXQDABK-OAHLLOKOSA-N	381.426	4.929	70	10	GJIE	
CC[C@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1ccccc1OC(F)F	160371044	PSLCSEGOCUITKC-RDJZCZTQSA-N	396.459	4.584	70	10	GJIE	
C[C@@H](COCc1ccccc1)Cn1cc(S(=O)(=O)Cl)c2cc(F)ccc21	719562755	SGCJIFHBLKYSGE-CQSZACIVSA-N	395.883	4.561	70	10	GJIE	
C[C@@H](C(=O)N1CC[C@](C)([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368345744	LSCUKJPXGADQIN-YJYMSZOUSA-N	399.242	4.977	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)NCc2ccc(OC3CCCCC3)cc2)s1	160390963	UDHFLISCIMIKBX-UHFFFAOYSA-N	387.549	4.547	70	10	GJIE	
COc1ccc([C@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)cc1	217299320	LSKYDJVMTGSSRE-KRWDZBQOSA-N	384.520	4.822	70	10	GJIE	
CO[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1Cl	218321716	XVIQOXUCSGYZOI-LJQANCHMSA-N	375.896	4.520	70	10	GJIE	
CCC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@H]([B-](F)(F)F)C1	2342482905	PEBIODABTXXVTR-CABCVRRESA-N	393.279	4.548	70	10	GJIE	
CC(C)c1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)nn1C(C)(C)C	159422370	DYQHRTFYQDULSF-PKOBYXMFSA-N	383.536	4.659	70	10	GJIE	
C[C@H]1Cc2cc([C@H](O)c3cc(Br)ccc3Br)ccc2O1	161035347	GUJIRYYWALBDMK-FVMDXXJSSA-N	398.094	4.617	70	10	GJIE	
Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1	217289010	DUEQDLHDZCBQSI-KRWDZBQOSA-N	378.447	4.594	70	10	GJIE	
O=C(NC[C@@H]1CCCN1c1ccccc1)C1c2ccccc2Oc2ccccc21	217818016	OYZGEOBPYFEWCE-IBGZPJMESA-N	384.479	4.709	70	10	GJIE	
CCOc1ccc(O[C@@H](C)C(=O)Nc2ccccc2-c2csc(C)n2)cc1	218583451	CZIMMEJXAUGTBY-AWEZNQCLSA-N	382.485	4.923	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2)cc1Cl	1927653253	TUQWXPPZIBTTGH-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC[C@@H]1C[C@H]1CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	2236504350	VRIQYCRXZVNLBX-GHMZBOCLSA-N	381.719	4.500	70	10	GJIE	
CC(C)COc1ccc([C@@H](C)NC(=O)N(CCc2nccs2)C(C)C)cc1	159820967	KKCZGFXPJHNVOT-QGZVFWFLSA-N	389.565	4.902	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@H](C)C[C@H]1c1ccc(C)o1	160207484	WSQVTLZIHVSFGX-KXBFYZLASA-N	393.491	4.872	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CC[C@H](C)C1	2197493781	HZXHBFZWYCAWTK-JOYOIKCWSA-N	381.719	4.506	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CCC([B-](F)(F)F)CC1	2253630729	UVZALGPVGBDDQH-UHFFFAOYSA-N	375.426	4.618	70	10	GJIE	
Cc1ccc(NC(=O)N(CCc2nccs2)C(C)C)c(Br)c1	160894705	PSOSKPLBQWKLQI-UHFFFAOYSA-N	382.327	4.699	70	10	GJIE	
Nc1cc(Br)cc(C(=O)c2c[nH]c3cccc(Br)c23)c1	159471626	VCKUKOPQNOMQEB-UHFFFAOYSA-N	394.066	4.506	70	10	GJIE	
Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)ccc1NC(=O)c1cccs1	160205565	VZOFHFHSQCKSDS-UHFFFAOYSA-N	394.500	4.649	70	10	GJIE	
N[C@@H](Cc1ccc(F)cc1Br)c1ccc(Br)c(F)c1	161425774	ZTCWFPJKJQIVPC-AWEZNQCLSA-N	391.053	4.732	70	10	GJIE	
COCc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)o1	159840369	PHDYTMJDUUWQMN-UHFFFAOYSA-N	378.453	4.879	70	10	GJIE	
COc1ccc2c(c1)c(C(=O)N(C)Cc1cc(C)on1)c(C)n2C1CCCC1	160190670	HFPUFRUFHFJWTM-UHFFFAOYSA-N	381.476	4.642	70	10	GJIE	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161458320	ZHDGCGACWORZRX-IFXJQAMLSA-N	397.475	4.858	70	10	GJIE	
CC(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1	217294343	LPZLGTUXMOJWFY-UHFFFAOYSA-N	399.537	4.581	70	10	GJIE	
CCOc1ccc(OCNC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1	217307398	SYVOQUHEMOTZHI-QFIPXVFZSA-N	382.504	4.751	70	10	GJIE	
CCc1cc(Oc2ncc([B-](F)(F)F)cc2Br)ccc1Cl	2172629790	CHXFOQUSPDNGNI-UHFFFAOYSA-N	379.392	4.907	70	10	GJIE	
Cc1cc(Br)c(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1Cl	2190460646	DHGUPRSEWBMXLI-VIFPVBQESA-N	383.424	4.865	70	10	GJIE	
CC(=CBr)COc1cc(C)c(S(=O)(=O)Cl)cc1C(C)C	2234895318	YNYSPJDWTCUIDU-UHFFFAOYSA-N	381.719	4.723	70	10	GJIE	
O=C(c1cc(Br)c(F)cc1Cl)N1CCC[C@H]([B-](F)(F)F)C1	2285914200	YAEZJEOIHJLZTB-ZETCQYMHSA-N	387.387	4.695	70	10	GJIE	
C[C@]1([B-](F)(F)F)CCN(C(=O)c2scc(Br)c2Cl)C1	2319673671	DYAGEJBDZWWPFK-JTQLQIEISA-N	375.426	4.618	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccco1	160731488	HWNXSCPMVJETKP-GCJKJVERSA-N	398.503	4.511	70	10	GJIE	
COc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)c(OC)c1	217299421	NXADOIUKRIFYDW-UHFFFAOYSA-N	386.492	4.592	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1	2095895976	NXESKSZNPMGFGJ-MRXNPFEDSA-N	393.936	4.609	70	10	GJIE	
C[C@@H]1CC(Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@H](C)C1	113948752	GNULAJFGJTXTIS-DHHPTOIESA-N	381.719	4.580	70	10	GJIE	
c1csc(-c2nc(CN3CCCC[C@H]3c3nnc4n3CCCC4)cs2)c1	160593688	VHBPBKUAYXKLCO-HNNXBMFYSA-N	385.562	4.527	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1	160811842	QOBZDKFIJUCFNB-MOPGFXCFSA-N	390.531	4.982	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	160900298	WTIIFMVDUMRDFV-ZDUSSCGKSA-N	395.425	4.572	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1ccccc1-n1cccn1	161437549	OHCINRRAZBUNRE-CQSZACIVSA-N	388.393	4.860	70	10	GJIE	
O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1cccs1)C1CCOCC1	217290999	VFHSSHIEKKNJNI-UHFFFAOYSA-N	384.423	4.980	70	10	GJIE	
CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1	59082726	AYIZIATXBMCQFA-JTQLQIEISA-N	396.734	4.532	70	10	GJIE	
Cc1nc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc(C2CC2)n1	159964245	RXTULVXSSLGQPR-UHFFFAOYSA-N	396.541	4.972	70	10	GJIE	
Cc1cc(NC(=O)N(CCc2nccs2)C(C)C)ccc1Br	160799463	ZQJLQLZIARHCHL-UHFFFAOYSA-N	382.327	4.699	70	10	GJIE	
CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br	59082302	JURAPZSWEWXDLN-UHFFFAOYSA-N	396.734	4.676	70	10	GJIE	
CN[C@H](Cc1cccc(Br)c1)c1c(F)cccc1Br	161045736	GZHKLQDAEOTVIK-CQSZACIVSA-N	387.090	4.854	70	10	GJIE	
CCN[C@@H](Cc1ncccc1C)c1cc(Br)ccc1Br	160813556	RPKAROCUBLAREB-INIZCTEOSA-N	398.142	4.808	70	10	GJIE	
CC(C)CCn1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n1	161419652	PJPXSXRGJKVWDL-UHFFFAOYSA-N	379.508	4.822	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)cc2Cl)cc1	217299356	DDHNBQUXRQMBID-UHFFFAOYSA-N	375.900	4.810	70	10	GJIE	
CC(C)c1cc(Br)cc([C@H](C(F)(F)F)S(=O)(=O)Cl)c1	2265954014	HKWDFASTDMRZTQ-SNVBAGLBSA-N	379.625	4.745	70	10	GJIE	
CC[C@H](N[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1)c1nccs1	161125943	KHXRXRNCFWFGSW-OALUTQOASA-N	381.501	4.572	70	10	GJIE	
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(F)c1	206210176	SRWJGAKKGDHXLR-UHFFFAOYSA-N	398.417	4.805	70	10	GJIE	
CC[C@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)CCCC2	217268191	UQZZOUSSQJLWEW-IBGZPJMESA-N	398.503	4.864	70	10	GJIE	
C=CCC[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2102102257	BOLFUGGZDYNTRN-QMMMGPOBSA-N	388.110	4.764	70	10	GJIE	
COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)oc2c1	161408259	OYTGAJINLQEDKQ-AWEZNQCLSA-N	389.455	4.501	70	10	GJIE	
O=C(CSc1nncs1)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21	159583435	CIFZOUXOWURSPT-QUCCMNQESA-N	395.553	4.608	70	10	GJIE	
O=C(CSc1nncs1)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21	159583759	CIFZOUXOWURSPT-AZUAARDMSA-N	395.553	4.608	70	10	GJIE	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2OCCn2ccnc2)o1	159930531	XWQGCZJUZRYUJW-IBGZPJMESA-N	394.475	4.623	70	10	GJIE	
CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1)CCC2	160801852	TXHHVDSVLUGUFO-LRDDRELGSA-N	391.512	4.633	70	10	GJIE	
Cc1ccc(-c2nnc([C@H](C)N3C[C@H](C)O[C@H](c4ccccc4)C3)o2)cc1C	161008218	DHDDZOUPCWAMPL-WFXMLNOXSA-N	377.488	4.876	70	10	GJIE	
O=S(=O)(Oc1ccc2c(c1)CC/C=C(/c1ccccc1)CCO2)C(F)(F)F	203766498	OURANXONQYRTGF-VIZOYTHASA-N	398.402	4.714	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cccc(OC(F)(F)F)c1	217286602	KGJODKMXQWTFJH-UHFFFAOYSA-N	395.362	4.826	70	10	GJIE	
CCCCC1CCC(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)CC1	218255497	ORJZVTBHRIGJIA-AFMYVXGZSA-N	397.519	4.658	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)cc1Cl)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1	2116127634	AMYVILYIHVUZSP-DLBZAZTESA-N	397.657	4.610	70	10	GJIE	
C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(Br)c(Cl)s2)C1	2319667950	BLHBWMBHIPWGON-JTQLQIEISA-N	375.426	4.618	70	10	GJIE	
C[C@@]1([B-](F)(F)F)CCN(C(=O)c2scc(Br)c2Cl)C1	2319673672	DYAGEJBDZWWPFK-SNVBAGLBSA-N	375.426	4.618	70	10	GJIE	
CC(C)(C)[C@H](NC(=O)CCc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1	160729992	GULHEDNNEHGZPN-OAQYLSRUSA-N	380.463	4.503	70	10	GJIE	
CC1(C)CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(CN2CCCC2=O)cc1	160745214	LTTTWQQGJRHTHE-QFIPXVFZSA-N	391.515	4.644	70	10	GJIE	
Brc1cc(CN[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)oc1Br	217575999	KIKMFNPAISFYLS-BFHMOWAWSA-N	389.131	4.719	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(C)(C)CS(=O)(=O)Cl)c1	1952650959	JIEMJPWHBGCTEP-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)cc(C)c1OCc1cccc(Br)c1	59061494	FHDRCBSUYWEOPL-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CC[C@@H]1CCC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	112694504	JMURTRMACOIMNR-GHMZBOCLSA-N	381.719	4.724	70	10	GJIE	
Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1	159637027	YOJWBIUWMFADPN-CJNGLKHVSA-N	395.425	4.579	70	10	GJIE	
O=C(Nc1ccc(COC2CCCC2)cc1)NC1CCN(c2ccccc2)CC1	160533366	UBVYPHJSAHMECM-UHFFFAOYSA-N	393.531	4.936	70	10	GJIE	
O=C(c1csc(-c2ccccc2Cl)n1)N1CCO[C@@H](c2cccs2)C1	161430065	OZWYAINVOPMQBQ-OAHLLOKOSA-N	390.917	4.739	70	10	GJIE	
C=CCC[C@H](C)Oc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2197494065	KUZQAYQLCBQDMX-JTQLQIEISA-N	381.719	4.673	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1cccc(Cl)c1	88270431	ORTUZFUQSMYUGQ-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
COc1ccc([C@@H](C)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1NC(C)=O	160826480	PTMPZANZNQQHSG-DLBZAZTESA-N	399.535	4.713	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1	161445342	ADQLABSEDWMLLQ-GDBMZVCRSA-N	382.414	4.616	70	10	GJIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2C1=O	217279446	NHSMPWGYAXXUBT-UHFFFAOYSA-N	379.460	4.706	70	10	GJIE	
CCCCC1CCC(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)CC1	218255559	ORJZVTBHRIGJIA-QLOJAFMTSA-N	397.519	4.658	70	10	GJIE	
O=S(=O)(Cl)C[C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1	1951939416	CPMIQJHVJWZUMS-JTQLQIEISA-N	391.636	4.530	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCC[C@@H]1C	2197461506	MRHNMFUKJGECGG-CABZTGNLSA-N	381.719	4.506	70	10	GJIE	
CCCn1ncc(Cl)c1[C@@H](CSc1ccccc1Br)NC	160774830	XDBLWXFNQLQANZ-CYBMUJFWSA-N	388.762	4.762	70	10	GJIE	
CCOc1cc(NC(=O)N2c3ccccc3C[C@H]2C)cc(OCC)c1OCC	217275055	HPFYARNAXGEXCP-OAHLLOKOSA-N	384.476	4.866	70	10	GJIE	
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)Cl)c1	1858161300	JOTAPFZIZAIWCX-UHFFFAOYSA-N	398.189	4.539	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161461430	CCUIGPKFFJKASV-IBGZPJMESA-N	397.475	4.866	70	10	GJIE	
COc1ccc(OC)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)c1	217299332	SYHOELNFDHHIGD-UHFFFAOYSA-N	386.492	4.592	70	10	GJIE	
Cc1cccc(COc2cccc(-c3nc(C)c(S(=O)(=O)Cl)s3)c2)c1	103847229	FXGFXHAMHGLMQL-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
C[C@H](NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1ccc(-c2ccncc2)cc1	159381845	LCUMAYPUXADVHE-ROUUACIJSA-N	389.499	4.788	70	10	GJIE	
Cc1ccccc1/C=C/NC(=O)Nc1ccc(I)cc1C	217671865	VPMYGXHFCKVWNT-MDZDMXLPSA-N	392.240	4.700	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1	2194131542	BMDIXFKNHWSNON-KUHUBIRLSA-N	397.226	4.512	70	10	GJIE	
O=C(OC1CCCC1)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115808825	BCVRYVBSQUROGW-UHFFFAOYSA-N	392.087	4.674	70	10	GJIE	
C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccc(-c2ccccc2)cc1	160516474	APPHJYZHDAVRSR-AWEZNQCLSA-N	388.393	4.995	70	10	GJIE	
CN[C@H](Cc1ccc(Br)s1)c1ccc(OC(F)(F)F)cc1	160663590	LOGVYUXEMYZWKB-GFCCVEGCSA-N	380.229	4.912	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCCC=CBr)cc1Cl	2051139909	KSRCGUKZFFIQKP-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
CC1CCC(Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)CC1	2191422687	XBFDFOUGUFMDSF-UHFFFAOYSA-N	385.682	4.718	70	10	GJIE	
CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)c1	2342475350	QITCSVWGCIVAGT-CYBMUJFWSA-N	385.215	4.660	70	10	GJIE	
NCc1ccc(Oc2ncc(Cl)cc2Br)c(C(F)(F)F)c1	160007817	DCZLDNKAKMHGMQ-UHFFFAOYSA-N	381.579	4.767	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(C(F)(F)F)cccc1C(C)(C)S(=O)(=O)F	1952842810	KPLQJIKRSNSODJ-UHFFFAOYSA-N	385.379	4.587	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCCC1CC1	2197493980	JZONKHPKAUIYNN-UHFFFAOYSA-N	381.719	4.508	70	10	GJIE	
CCCOc1ccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217080703	VOMNKUIBUJXFSR-XMSQKQJNSA-N	383.923	4.651	70	10	GJIE	
COc1cc(NC(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OC	217268325	SFUDLWCLXDEFQC-UHFFFAOYSA-N	392.455	4.951	70	10	GJIE	
CCC[C@H]1C[C@H]1COc1c(C)cc(Br)cc1S(=O)(=O)Cl	2200568324	RARCRDPEMASJFI-QWRGUYRKSA-N	381.719	4.500	70	10	GJIE	
C/C(=C\Br)COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl	2219386732	WQYWQMRYOXHJCM-GQCTYLIASA-N	394.501	4.598	70	10	GJIE	
Cc1ccc(F)c(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	115255523	SDXGGJNHJJJUPK-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	217283480	QGHOJQJMEALIDN-HKUYNNGSSA-N	379.504	4.602	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCC/C=C/Br)c(Cl)c1Cl	2051140350	PBOMQIPEDJJDPI-ORCRQEGFSA-N	394.501	4.598	70	10	GJIE	
O=C(c1cc(Cl)ccc1Br)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194129176	JMLFYHLUHKKQSA-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
C=C(C)CCCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2287465015	GDJGGDKXLFCXBZ-UHFFFAOYSA-N	385.682	4.886	70	10	GJIE	
C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(OC(F)F)cc1OC(F)F	161074916	GEROVYKDAYVQAX-MLGOLLRUSA-N	387.373	4.664	70	10	GJIE	
N[C@H](Cc1ccc(F)cc1Br)c1cccc(F)c1Br	161416948	INIGHVOYEDOEHG-CYBMUJFWSA-N	391.053	4.732	70	10	GJIE	
F[B-](F)(F)CSc1cc(I)ccc1Br	1887838815	OOEZRZNYPOHEJJ-UHFFFAOYSA-N	395.798	4.532	70	10	GJIE	
CCC[C@@H]1C[C@@H]1COc1c(C)cc(Br)cc1S(=O)(=O)Cl	2200568322	RARCRDPEMASJFI-GHMZBOCLSA-N	381.719	4.500	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1	2368343229	NQTNZCMSEHUYLO-IBGZPJMESA-N	397.226	4.887	70	10	GJIE	
Cc1cccc(COc2ccc(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)c(C)c2)c1	159823821	PMTAKPZKRRVHIX-KRWDZBQOSA-N	392.503	4.667	70	10	GJIE	
O=C(CCc1ccc(-c2ccccc2F)o1)N1CCO[C@H](c2cccs2)C1	161356446	CGQCFZPHTNJBPD-IBGZPJMESA-N	385.460	4.680	70	10	GJIE	
CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1c(C)noc1C	160261013	AVTCSDMXJFIPCO-KFWWJZLASA-N	382.382	4.561	70	10	GJIE	
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccoc3)n2)C1	161079562	JEXLDLMGKHLBJD-IAGOWNOFSA-N	394.418	4.730	70	10	GJIE	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1c(F)cc(Br)cc1F	161228076	GHKWXDFFLZSKBY-GFCCVEGCSA-N	391.256	4.540	70	10	GJIE	
CN(c1nc2ccc([B-](F)(F)F)cc2s1)[C@H]1CC[C@@H]1OCc1ccccc1	2279028994	SLLLOKBZKZMVBZ-IRXDYDNUSA-N	391.247	4.535	70	10	GJIE	
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(NC(=O)C(F)(F)F)c1	216763146	OTLVQOXCCCOLKU-UHFFFAOYSA-N	380.410	4.732	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280275	RXCMBBYJZTXVNT-UHFFFAOYSA-N	385.851	4.687	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)N[C@@H](C)Oc1ccc(Cl)cc1	217295254	CVKZLMSIXCMOMD-LLVKDONJSA-N	383.673	4.957	70	10	GJIE	
O=C(c1cscc1OCc1ccccc1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2073757799	VIGUOIVZQLINNX-KSSFIOAISA-N	380.220	4.781	70	10	GJIE	
Cc1ccc(-c2noc(CCCN(CCc3nccs3)C(C)C)n2)cc1F	159858089	HLCWQVJPEQFLBA-UHFFFAOYSA-N	388.512	4.526	70	10	GJIE	
CC[C@@H](CN[C@H](C)c1ccc(OC)c(NC(C)=O)c1)Oc1ccccc1Cl	160448160	NDHXKMPFQKTFPW-PBHICJAKSA-N	390.911	4.815	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1	161444820	DOKXLJXQAKSHEU-HUUCEWRRSA-N	382.414	4.616	70	10	GJIE	
COC[SiH](O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	263583848	CDDPPEGVOOEXFG-UJECOLPSSA-N	380.645	4.855	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)cc1	2194132759	LRZWCWLLRXQPHK-LIRRHRJNSA-N	397.226	4.512	70	10	GJIE	
Cc1c(OCc2cccc(Br)c2)ccc(S(=O)(=O)Cl)c1C	59093332	CKTANAROOLTYBK-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CC[C@@H](COc1ccc(Br)cc1C(C)C)CS(=O)(=O)Cl	163449766	TUWLRPRNNNVZIX-NSHDSACASA-N	383.735	4.546	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)[C@@H](C)C(C)C	2365872129	CKSAGLDYBTVRMD-WDEREUQCSA-N	383.735	4.744	70	10	GJIE	
CN[C@@H](c1ccc(OC)c(C)c1)c1cc(Br)ccc1Br	159827751	OSWRECGNPVOSGI-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
Cc1nc(CC(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c(C)s1	160695844	AMVZDGCELLDCTA-UHFFFAOYSA-N	398.438	4.763	70	10	GJIE	
CN[C@H](c1ccc(F)c(Br)c1)c1c(F)cccc1Br	160856688	VLUADOBYZBJIQH-CQSZACIVSA-N	391.053	4.799	70	10	GJIE	
CC[C@H](C)c1cc(S(=O)(=O)F)ccc1OCCCOCc1ccccc1	1875865850	XBQVRTWFIMFZQW-INIZCTEOSA-N	380.481	4.844	70	10	GJIE	
CC(C)(C)c1cc(S(=O)(=O)F)ccc1OCCCOCc1ccccc1	1875876962	MDGSLSWNELHEEO-UHFFFAOYSA-N	380.481	4.628	70	10	GJIE	
CC[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1S(=O)(=O)Cl	111779799	FZSOBVKGTOEOGB-JQWIXIFHSA-N	381.719	4.724	70	10	GJIE	
O=C(CCc1cc2ccccc2[nH]c1=O)NCc1cccc(Oc2ccccc2)c1	160447390	RLHOGHWOYHDAJM-UHFFFAOYSA-N	398.462	4.569	70	10	GJIE	
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cc(-c3cccs3)on2)C1	161089264	MEJWQXZEDUZZPL-HZPDHXFCSA-N	394.418	4.730	70	10	GJIE	
Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)cc2)n[nH]1	160419381	DIMWOKDOLDGGJN-CTNGQTDRSA-N	377.444	4.617	70	10	GJIE	
CO[C@@H](C)c1cccc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1	160967258	ZMZSXKBADCTWBZ-YCRPNKLZSA-N	379.435	4.839	70	10	GJIE	
CN[C@H](Cc1ccc(Br)cc1)c1c(F)cccc1Br	161036496	XPLPMJLWYFANEF-CQSZACIVSA-N	387.090	4.854	70	10	GJIE	
O=S(=O)(Cl)c1ccc(O[C@H]2C=CCCCCC2)c(Br)c1	383517795	GZRYPTXXFKCKLY-NSHDSACASA-N	379.703	4.644	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCC2CCC=CCC2)c(Br)c1	2145549924	GYLNYDTVPIQGIU-UHFFFAOYSA-N	379.703	4.502	70	10	GJIE	
CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342479124	DGAVRFVPEPZWHS-SFHVURJKSA-N	393.279	4.692	70	10	GJIE	
Cc1ccc(OCc2nc(CN(CCc3nccs3)C(C)C)cs2)cc1	159915291	KKMVCWPNCJRDMU-UHFFFAOYSA-N	387.574	4.940	70	10	GJIE	
C[C@H]1CC[C@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@@H]1C	160230062	FJBUICGNRSXANK-GUBZILKMSA-N	399.709	4.719	70	10	GJIE	
O=S(=O)(Cl)c1cccc(Oc2cc(Cl)cc(Br)c2)c1	697997957	YXPBMAUITJBITH-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1	2368343692	SAKALEJENSKCIO-IBGZPJMESA-N	399.242	4.806	70	10	GJIE	
Cc1nc(-c2cccnc2)sc1[C@@H](C)NCCOc1ccc(F)cc1F	160084071	VVNMLCSCEUWUKH-GFCCVEGCSA-N	375.444	4.521	70	10	GJIE	
Cc1ccc(N[C@@H](C)c2ccc(I)cc2)cc1N(C)C	161195386	NUPOAENOTQAXDB-ZDUSSCGKSA-N	380.273	4.839	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1F	2231054632	RKECGCQBTYQBIJ-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1	159859666	WQQAJJSEHPRUPL-HNNXBMFYSA-N	398.890	4.825	70	10	GJIE	
Cc1cc(Br)ccc1[C@H](N)Cc1cc(Br)ccc1F	160259961	RUNVULUMSSKEQR-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C1CCC(F)(F)CC1	160677675	HGZWUSUXNNUWKP-AWEZNQCLSA-N	378.463	4.631	70	10	GJIE	
CC(=O)N(Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1)C1CC1	160600600	VAGANPSQHVVQSS-HRAATJIYSA-N	395.503	4.796	70	10	GJIE	
Cc1cc(O[C@H](c2ccc(Br)cc2)[C@H](C)N)ccc1Br	161486174	DMEMPNJWWFSGJW-ZBEGNZNMSA-N	399.126	4.987	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1NC(=O)C(F)(F)F	216778211	VTBVFWQKZGICCX-ZDUSSCGKSA-N	394.393	4.717	70	10	GJIE	
NN[C@@H](c1cc(Br)c(Br)s1)C1CCCCCC1	160531708	PNXYRQRHFVPQBZ-LLVKDONJSA-N	382.165	4.748	70	10	GJIE	
CN[C@@H](c1ccc(C)cc1Br)c1ccc(OC)cc1Br	161033683	JMRRTRXSGITRNC-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
Cc1cc(Br)c(C)c(OCCCCCCS(=O)(=O)Cl)c1	686552633	NRMAGDBLOSTYFE-UHFFFAOYSA-N	383.735	4.574	70	10	GJIE	
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCc1ccn(C2CCCC2)n1	159734098	QSCQKUKYYHFJOQ-UHFFFAOYSA-N	397.523	4.613	70	10	GJIE	
C[C@H](C(=O)N(Cc1ccccc1Br)C1CCCC1)C1CCOCC1	160066122	MTXAGVWJFIIODW-HNNXBMFYSA-N	394.353	4.783	70	10	GJIE	
CCC1CCC(Oc2ccc(S(=O)(=O)Cl)cc2Br)CC1	113971788	BRWLNYDGWBUCGQ-UHFFFAOYSA-N	381.719	4.724	70	10	GJIE	
O=C(NCc1csc(-c2ccco2)n1)N[C@@H](c1ccccc1)c1ccco1	160818618	WVUHMODROKXVAZ-SFHVURJKSA-N	379.441	4.585	70	10	GJIE	
Cc1c(S(=O)(=O)Cl)c2ccccc2n1C[C@@H](C)COCc1ccccc1	719551869	KJEFQKKZGFAZTJ-OAHLLOKOSA-N	391.920	4.730	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)cc1	2194132757	LRZWCWLLRXQPHK-KUHUBIRLSA-N	397.226	4.512	70	10	GJIE	
CCCCn1ncc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1C	159623619	HXKSGYJIQOTWLD-UHFFFAOYSA-N	379.508	4.884	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccccc1C(F)(F)F	217293195	NAQZGRHIVVQKQB-UHFFFAOYSA-N	394.374	4.913	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)CC2CCC2)c(C(F)(F)F)c1	2116127095	JLGGXAMBXPKMMQ-UHFFFAOYSA-N	387.156	4.962	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1	2190465902	VVNVBLAQYPPVTR-HNNXBMFYSA-N	397.226	4.887	70	10	GJIE	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2c(Cl)cccc2OC)c1	160823595	HBNXFFQYIYISAJ-UHFFFAOYSA-N	395.286	4.922	70	10	GJIE	
Nc1noc(-c2cc(Br)ccc2Br)c1-c1cccnc1	161314542	HFKMLLAKSYBKTA-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
Cc1cccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1	205165263	YRVIMZRYVGHXGE-UHFFFAOYSA-N	394.454	4.974	70	10	GJIE	
CC(C)Oc1ccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217080762	HXMHIOISBQGLAF-XMSQKQJNSA-N	383.923	4.650	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)Nc1cccc(Br)c1	217298271	YQMWZYGMJQKOCO-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
O=C(N/C=C/c1ccc(Cl)cc1)NCCc1ccccc1Br	218258299	ZMPLAAWXJPIXCO-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)[C@H](C)CC	2197493546	FIZZWSQANNMEHQ-ZJUUUORDSA-N	383.735	4.752	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CCC([B-](F)(F)F)CC2)c1	2239518750	RIGFWAMVHCQSML-UHFFFAOYSA-N	399.242	4.806	70	10	GJIE	
COc1cccc(OC)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1	217270737	KAFZJOWUMMCOGT-UHFFFAOYSA-N	376.456	4.938	70	10	GJIE	
CCCCCCCOC(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1	301888123	GFQOWPXPRSCYLD-UHFFFAOYSA-N	397.924	4.591	70	10	GJIE	
Cc1cc(CN(C)c2ncc([B-](F)(F)F)cc2Br)sc1Cl	2172768007	BXNJCSPLZRAUEU-UHFFFAOYSA-N	398.464	4.558	70	10	GJIE	
CC(C)=C(C)CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191426324	NVOSKPZQBLWGBC-UHFFFAOYSA-N	385.682	4.886	70	10	GJIE	
CCCC[C@H](CC)OC(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1	2271372472	DAGXMXLVMSWMFB-INIZCTEOSA-N	397.924	4.590	70	10	GJIE	
CCS[C@@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(Cl)s2)n1	159944571	HOAWEYGQQPBVHT-UWVGGRQHSA-N	388.946	4.501	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N1CCCC[C@H]1c1cccn1C)c1ccco1	160528019	PNFJQBXEKZVDCG-SIKLNZKXSA-N	393.487	4.653	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1	217265971	YDIZBZYYTGHJMV-OAHLLOKOSA-N	382.460	4.983	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)Oc1ccc(Cl)cc1	217294723	AGRMXZZAPRJYIA-HUUCEWRRSA-N	376.884	4.832	70	10	GJIE	
O=C(NC[C@H]1CCCN1c1nccs1)c1ccc(-c2cccc(Cl)c2)cc1	217741016	CXVQKCDSGBSSIN-LJQANCHMSA-N	397.931	4.862	70	10	GJIE	
F[B-](F)(F)c1cc(C(F)(F)F)cnc1N(Cc1ccccc1)Cc1ccco1	2172766808	LVTUMWMLLSAULK-UHFFFAOYSA-N	399.123	4.955	70	10	GJIE	
Cc1c(C(=O)N(C)c2ccc3c(c2)OCO3)sc2nc(C(F)(F)F)ccc12	160082464	BBBDICLICLVHKS-UHFFFAOYSA-N	394.374	4.629	70	10	GJIE	
CCOc1ccccc1OCNC(=O)Nc1ccc(Nc2ccccc2)cc1	217289696	NYPYVHSOBABEEP-UHFFFAOYSA-N	377.444	4.987	70	10	GJIE	
O=C(CCc1ccc(Cl)cc1Cl)NC[C@H]1CCCN1c1ccccc1	217824489	PFUWNCQHHBXJQO-GOSISDBHSA-N	377.315	4.711	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	159446794	FJONGKUYZLLPPS-MRXNPFEDSA-N	380.517	4.540	70	10	GJIE	
CN(Cc1ccccc1Br)c1cc(C(F)(F)F)nc(Cl)n1	161489298	OHHXKWVXXSELIC-UHFFFAOYSA-N	380.595	4.548	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(Br)cc1	217315406	XLLKDFGVUMQKOQ-CQSZACIVSA-N	391.309	4.717	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2194125884	DBTJAICQYMHLBS-LIRRHRJNSA-N	397.226	4.796	70	10	GJIE	
CC[C@H]1CCCC[C@H]1Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	160227260	QBQQMMNXRLYGBM-JOYOIKCWSA-N	399.709	4.863	70	10	GJIE	
Cc1csc([C@@H](C)NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1	161003938	BTAUYUVIRZHHTH-LLVKDONJSA-N	395.410	4.539	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)NC(=O)NCc1ccccc1Br	217292579	JSOCEALUTLVZNY-CQSZACIVSA-N	391.309	4.797	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(Br)cc1	218263567	ZGPIFMFBSYQRBG-CMDGGOBGSA-N	381.657	4.904	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)c(NC(=O)OC(C)(C)C)c1C	2342481683	SVGDZYCXSRXCBT-ZDUSSCGKSA-N	385.215	4.714	70	10	GJIE	
CC(C)(C)OC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115808216	LIUOGDORZFKJQX-UHFFFAOYSA-N	380.076	4.530	70	10	GJIE	
Cc1cc(C)c(NC(=O)c2cc(N)ccc2Br)c(Br)c1	159538516	IUJCMNIQGZLQBP-UHFFFAOYSA-N	398.098	4.663	70	10	GJIE	
CSc1ccc([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1F	161059168	YVLAVSRUTOMUAL-MRXNPFEDSA-N	382.504	4.608	70	10	GJIE	
C[C@@H]1CCC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)[C@@H]1C	2201127849	FBKMNYVOKZIMGV-BREBYQMCSA-N	381.719	4.580	70	10	GJIE	
Cc1cc(O[C@H](c2cccc(Br)c2)[C@@H](C)N)ccc1Br	161484981	UIMUGTOMKFCVMF-BZNIZROVSA-N	399.126	4.987	70	10	GJIE	
Cc1ccccc1COc1ccccc1-c1nc(C)c(S(=O)(=O)Cl)s1	103860460	AZXVYYQOLNSZHX-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
CN[C@@H](c1cc(Br)ccc1Br)[C@@H](C)c1ccncc1	160808236	KKUZQQDOICBZDX-ZUZCIYMTSA-N	384.115	4.671	70	10	GJIE	
Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2Br)cc1	160058691	VCNXYSXZRSGMFA-UHFFFAOYSA-N	397.110	4.792	70	10	GJIE	
Cc1ccc(-c2noc([C@H](C)N[C@@H](C)c3ccccc3-n3cccn3)n2)cc1F	160847502	AHZKHLVWVOHODR-HOTGVXAUSA-N	391.450	4.782	70	10	GJIE	
C[C@@H](NC(=O)NCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2	217314973	VIJHPEZCTTYHBF-SFAMEIPESA-N	391.353	4.853	70	10	GJIE	
C[C@H]1CCC[C@@H](COc2ccc(S(=O)(=O)Cl)cc2Br)C1	302628693	SDBBVCOMCUGXNP-WDEREUQCSA-N	381.719	4.582	70	10	GJIE	
Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)c1ccccc1-n1cccn1	159920300	OZVOCIPZSVBELS-AWEZNQCLSA-N	386.402	4.665	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2c[nH]c3ccccc23)cc1	217299540	WXUJNSIMYQBHIE-UHFFFAOYSA-N	393.531	4.776	70	10	GJIE	
Cc1cc(C(=O)N2CCC([B-](F)(F)F)CC2)ccc1NC(=O)OC(C)(C)C	2231046508	BOEVDUXWTPJGGE-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
Cc1ccc(C)c(-n2ncc(NC(=O)N(C)[C@H](C)Cc3ccc(O)cc3)c2C)c1	160659129	ZNWPFQVJRZKISX-QGZVFWFLSA-N	392.503	4.598	70	10	GJIE	
COCCCOc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1	161151447	CAPVKDHYZLTGRA-MRXNPFEDSA-N	390.911	4.658	70	10	GJIE	
Nc1ccc(Oc2ncc(Br)cc2Br)c2cccnc12	161441752	WDMFNAZVCUCQNP-UHFFFAOYSA-N	395.054	4.529	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1	2368346673	VIMTWXACUZANHJ-YJYMSZOUSA-N	399.242	4.726	70	10	GJIE	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21	159969256	UOAVXHCTFOOPBT-JLTOFOAXSA-N	377.488	4.647	70	10	GJIE	
Cc1csc([C@H]2CCCN(C(=O)NCc3cccc(-c4ccccn4)c3)C2)n1	160315947	FWKYVYOFRHLFKG-IBGZPJMESA-N	392.528	4.603	70	10	GJIE	
Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(c3ccn[nH]3)CC2)c1	160542996	MRRJONTZMZKSKJ-QHCPKHFHSA-N	388.515	4.586	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)[C@H](C)c3ccc(Br)cc3)c2)no1	161036323	PVGXICUQNRJAKZ-LLVKDONJSA-N	386.249	4.550	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(F)c(F)c2F)cc(OCC)c1OCC	217275179	LMKWRYUBLLRXMI-UHFFFAOYSA-N	398.381	4.944	70	10	GJIE	
CCCC(CCC)(COc1ccc(Br)cc1)CS(=O)(=O)Cl	115567629	RRMSIZBICCEIQO-UHFFFAOYSA-N	397.762	4.983	70	10	GJIE	
C[C@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1nc(-c2ccccc2)cs1	159592555	LPQFZHLDFLZFKH-WMLDXEAASA-N	399.541	4.716	70	10	GJIE	
CC(=O)N(Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1)C1CC1	160600354	VAGANPSQHVVQSS-KKSFZXQISA-N	395.503	4.796	70	10	GJIE	
Cc1ccc(OCC(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1C	218547540	DUKDTVKXDWYGBX-UHFFFAOYSA-N	377.469	4.697	70	10	GJIE	
COc1ccc2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)[nH]c2c1	218563762	XTZNVSKEJSULKO-UHFFFAOYSA-N	388.452	4.805	70	10	GJIE	
C[C@@H]1CC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@H]1C	251724755	IRMXAKMVWNKFLA-MXWKQRLJSA-N	381.719	4.580	70	10	GJIE	
O=C(c1cscc1OCc1ccccc1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2073757800	VIGUOIVZQLINNX-RDTXWAMCSA-N	380.220	4.781	70	10	GJIE	
C[C@H]1C[C@H]1CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191432562	PIGXUXXKPNBHCT-DTWKUNHWSA-N	385.682	4.576	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c(C)c1Br	2234512942	OLJBUPHZIOHCFM-RNCFNFMXSA-N	381.046	4.581	70	10	GJIE	
Cc1cc(C[C@H](C)NC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)n[nH]1	159470792	GRBGZXSVNHQYNZ-FUHWJXTLSA-N	392.503	4.919	70	10	GJIE	
O=C(CSc1ccccc1C(=O)NCCC1=CCCC1)Nc1ccc(F)cc1	160280470	XUVYUBANASEJTN-UHFFFAOYSA-N	398.503	4.787	70	10	GJIE	
O=C(c1ccsc1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)s1	217293363	HLTLXRRUCRNYAW-UHFFFAOYSA-N	385.554	4.873	70	10	GJIE	
O=C(c1ccc(Br)cc1Cl)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194129562	LEHKDSWEAMTQKG-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
C/C(=C\Br)COc1cc(C)c(S(=O)(=O)Cl)cc1C(C)C	2234896111	YNYSPJDWTCUIDU-JXMROGBWSA-N	381.719	4.723	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1	2368343693	SAKALEJENSKCIO-LJQANCHMSA-N	399.242	4.806	70	10	GJIE	
CC(C)N(CCc1nccs1)Cc1csc(COc2ccc(F)cc2)n1	159814346	GCSVOIHUHWCJID-UHFFFAOYSA-N	391.537	4.771	70	10	GJIE	
CC[C@@H](NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1)c1nccs1	159877347	LKFZXONCARRITH-FUHWJXTLSA-N	386.565	4.557	70	10	GJIE	
CO[C@H](C)c1cccc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1	160967180	ZMZSXKBADCTWBZ-VFNWGFHPSA-N	379.435	4.839	70	10	GJIE	
COc1cc(/C=C/C(=O)N2CCCC[C@H](c3ccccc3)C2)cc(OC)c1OC	217287537	OAFJCNFSSUNVCG-SJFMBGHLSA-N	395.499	4.522	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)NC(=O)NCc2cccc(Br)c2)cc1	217296724	OUOSZNXWIUGVDF-AWEZNQCLSA-N	391.309	4.797	70	10	GJIE	
CC(C)(C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F	2052596825	LKWBMGDCVUBYAH-UHFFFAOYSA-N	375.145	4.960	70	10	GJIE	
O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194129913	MQNXULLCFGEBFS-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C2(C(=O)N3CC[C@@H]([B-](F)(F)F)C3)CC2)cc1	2368341923	BSHCFEWAWLLNEX-CQSZACIVSA-N	397.226	4.515	70	10	GJIE	
CC[C@H]1CCC[C@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1	160232507	DCZNWSUKXVUCIB-UWVGGRQHSA-N	399.709	4.863	70	10	GJIE	
CN[C@@H](CSc1ccccc1Br)c1c(Cl)cnn1C(C)C	160773597	BMYIYTZPVGSPKA-ZDUSSCGKSA-N	388.762	4.933	70	10	GJIE	
Cc1cccc(N2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1C	217269972	NYOCCWRRZCTVQL-UHFFFAOYSA-N	399.538	4.925	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccccc1Br	217286253	CFTHOWCZYDUOTG-UHFFFAOYSA-N	390.262	4.690	70	10	GJIE	
CCCC(CCC)(COCCCOCc1ccccc1)CS(=O)(=O)Cl	2056771920	JCLKTLYXGVINSX-UHFFFAOYSA-N	390.973	4.765	70	10	GJIE	
CCc1ccc([C@@H](C)NC(=O)NCCc2cccc(Br)c2)cc1	217478231	AZROLZUTEWPJGN-CQSZACIVSA-N	375.310	4.614	70	10	GJIE	
O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1cn2ccsc2n1	218533856	FRYJWLURQDZIIF-UHFFFAOYSA-N	383.860	4.734	70	10	GJIE	
O=C(c1ccc(Br)cc1Cl)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194129563	LEHKDSWEAMTQKG-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1CCCc2cc(F)ccc21	160312365	KGYGKUZUNYPYML-FQEVSTJZSA-N	392.434	4.916	70	10	GJIE	
CCN[C@H](CSc1cccc(Cl)c1)c1c(Br)cnn1CC	160759483	JGZZHVJWBFNRKS-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
CC(C)c1cc(Br)ccc1Oc1ncccc1S(=O)(=O)Cl	160196631	CWFUCOVYBMMPDS-UHFFFAOYSA-N	390.686	4.687	70	10	GJIE	
O=S(=O)(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1[C@H]2C=CC[C@H]1CC2	218763418	HFKAMFDNFYJKCC-ROUUACIJSA-N	393.430	4.854	70	10	GJIE	
C[C@@H](C(=O)N1CCC[C@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2190465243	RJZDCXKGJPWASO-HIFRSBDPSA-N	399.242	4.977	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)c(Cl)c1	2319672682	UZLWIWDLZKUJSB-SNVBAGLBSA-N	391.606	4.751	70	10	GJIE	
Cc1nc(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)cc(C2CC2)n1	160213827	RAMXPSCYYFYSMW-UHFFFAOYSA-N	397.891	4.509	70	10	GJIE	
CCN[C@@H](CSc1ccc(Br)cc1)c1c(Cl)cnn1CC	160694658	SJXOINQRIKEXJV-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
CCN[C@H](CSc1ccc(Cl)cc1)c1c(Br)cnn1CC	160767740	DLWFOJVAXKUQQH-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
O=C(CCc1cccc(OC2CCCC2)c1)N1CCO[C@@H](c2cccs2)C1	161338286	CIAHORCTJWYXHU-HXUWFJFHSA-N	385.529	4.602	70	10	GJIE	
CN(Cc1ccc(Br)cc1)c1cc(C(F)(F)F)nc(Cl)n1	161489027	FAXTZBJLYPWPBL-UHFFFAOYSA-N	380.595	4.548	70	10	GJIE	
CCOc1ccc(OCNC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1	217307399	SYVOQUHEMOTZHI-JOCHJYFZSA-N	382.504	4.751	70	10	GJIE	
O=S(=O)(Cl)C[C@H](c1ccc(C(F)(F)F)cc1Br)C1CC1	1951930436	DUYQETSNFPEHLC-JTQLQIEISA-N	391.636	4.530	70	10	GJIE	
Cc1cccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2133913556	BVTBORLQTWWJTE-CYBMUJFWSA-N	385.215	4.796	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCC(F)=C(C)C	2197462481	YSNZCTZCKNNWPJ-UHFFFAOYSA-N	385.682	4.581	70	10	GJIE	
Cc1cccc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2194135832	ZQMQKJDMSNUUHN-ORAYPTAESA-N	397.226	4.796	70	10	GJIE	
Cc1ccc([C@H](O)[C@@H](CN)c2ccc(Cl)c(Cl)c2)c(Br)c1	161507234	PDMQHEZOIDTAMG-LRDDRELGSA-N	389.120	4.840	70	10	GJIE	
CC[C@@H](CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)Oc1ccccc1Cl	160447875	NDHXKMPFQKTFPW-YOEHRIQHSA-N	390.911	4.815	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@H](N[C@H](CC)c1nccs1)c1ccccc1	161098064	FRUUJMQHKWHHQH-YLJYHZDGSA-N	395.528	4.963	70	10	GJIE	
CC(C)c1ccc(OCC(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1	217294177	TYLPCKVWXNCEDX-UHFFFAOYSA-N	393.508	4.798	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCC2	160523344	FWZFXAZCZXNMDX-CQSZACIVSA-N	385.537	4.532	70	10	GJIE	
CC(=O)N(Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)cc1)C1CC1	160599945	HGTYOEIJGBCQDJ-NRFANRHFSA-N	395.503	4.858	70	10	GJIE	
CCCOc1ccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217080679	VOMNKUIBUJXFSR-GCJKJVERSA-N	383.923	4.651	70	10	GJIE	
CC(C)(C)CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191424860	XLHNVICCORFHEP-UHFFFAOYSA-N	387.698	4.966	70	10	GJIE	
CN(Cc1ccccn1)C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1	159503475	GNFJVWOQVYSCEP-UHFFFAOYSA-N	378.284	4.784	70	10	GJIE	
Cc1nc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc(C2CC2)n1	160257256	AWNGGJOXPWFPKD-UHFFFAOYSA-N	390.921	4.682	70	10	GJIE	
C[C@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCC2	160523224	FWZFXAZCZXNMDX-AWEZNQCLSA-N	385.537	4.532	70	10	GJIE	
Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1cccs1	160747423	FENQSKXCQREIDC-UHFFFAOYSA-N	399.111	4.912	70	10	GJIE	
O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cc(-c3cccs3)on2)C1	161089123	MEJWQXZEDUZZPL-CVEARBPZSA-N	394.418	4.730	70	10	GJIE	
C[C@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	161283340	RESYPSYUZUDKLR-INIZCTEOSA-N	390.449	4.908	70	10	GJIE	
Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)n[nH]1	159470666	GRBGZXSVNHQYNZ-AEFFLSMTSA-N	392.503	4.919	70	10	GJIE	
COc1cc(Cl)c([C@@H](N)c2c(F)cccc2Br)cc1Cl	160870826	MYHPJHLYWJMJCK-CQSZACIVSA-N	379.056	4.952	70	10	GJIE	
CC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(Br)cc1	217537150	BIJAUAZCXLGSCM-UHFFFAOYSA-N	375.310	4.612	70	10	GJIE	
O=S(=O)(Cl)c1cc(OC(F)(F)F)c(C(F)(F)F)cc1C(F)(F)F	2055423060	NEVBLTXGPLSQON-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
COCCCN(Cc1ccccc1)c1cc([B-](F)(F)F)ccc1C(F)(F)F	2116126287	DCYQWSKAPHWGBU-UHFFFAOYSA-N	390.156	4.803	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)o1	159483966	XHBFVDXWFLEGFJ-SFHVURJKSA-N	379.464	4.695	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)ccc21	160805651	HPOZQECLSIGSFP-JOCHJYFZSA-N	391.515	4.972	70	10	GJIE	
Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(Cn2ccccc2=O)cc1	161072252	PHQFDTHIZZSEDL-INIZCTEOSA-N	395.572	4.810	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CCC[C@@H]1C	2149832649	MLFIDQAMIHKTQO-ONGXEEELSA-N	381.719	4.500	70	10	GJIE	
CC(C)c1ccc(/C=C/CC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1	160924522	SLIYKKOYROKTBK-SNAWJCMRSA-N	389.492	4.536	70	10	GJIE	
COc1cc(C)c(Br)cc1[C@@H](N)c1cc(C)ccc1Br	161467121	XHVHEMCQLASCTJ-INIZCTEOSA-N	399.126	4.885	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CCC[C@H]([B-](F)(F)F)C1	2070263434	HCFXHJIZPOEPCP-LURJTMIESA-N	375.426	4.618	70	10	GJIE	
CC(C)CC[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191425537	GARVFHQFWZSDJA-SECBINFHSA-N	387.698	4.964	70	10	GJIE	
C[C@H](CC1CCC1)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2360319666	ZWAMVRIWYZGZTA-MRVPVSSYSA-N	385.682	4.718	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	59060056	CJHUALMWHGDTNO-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)s1	159836113	WOXIQZOAEVTJIJ-HIFRSBDPSA-N	376.522	4.685	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)CCc2nc(C)c(-c3ccccc3)o2)n1	161191797	PUTVZFWZZVCPEY-UHFFFAOYSA-N	386.455	4.715	70	10	GJIE	
CCCN[C@@H](C)c1ncc(-c2cc(Br)ccc2Br)o1	161257196	SNIPNWPJJSDBAN-VIFPVBQESA-N	388.103	4.927	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C=CS(=O)(=O)Cl)cc1Cl	1952253771	FKOVLKWFVQJKNW-UHFFFAOYSA-N	386.684	4.880	70	10	GJIE	
C[C@@H](c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)S(=O)(=O)Cl	1952628249	NHRUOYAOXRURFC-QMMMGPOBSA-N	387.807	4.682	70	10	GJIE	
O=C(c1cscc1OCc1ccccc1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2073757798	VIGUOIVZQLINNX-KDOFPFPSSA-N	380.220	4.781	70	10	GJIE	
CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc3ccccc3n2)CC1	159614273	XPHIJVCXERPYTP-UHFFFAOYSA-N	393.556	4.813	70	10	GJIE	
CCSc1ccccc1C(=O)N(CCc1cccs1)C1CCOCC1	217291481	NFBMDFFRTAYIJF-UHFFFAOYSA-N	375.559	4.724	70	10	GJIE	
C=CCCCCCCOc1ccc(S(=O)(=O)Cl)cc1Br	2206898327	RDYBFCMATXDYMG-UHFFFAOYSA-N	381.719	4.892	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2264608723	CEBMDCQOGSPCFU-KSBSHMNSSA-N	387.437	4.618	70	10	GJIE	
C[C@@]1([B-](F)(F)F)CCN(C(=O)C2CC3(CC(OCc4ccccc4)C3)C2)C1	2342468069	HBPONHPLERYUSX-SAOIUIGASA-N	380.239	4.602	70	10	GJIE	
CCCCCOc1ccc(-c2nc(C)c(S(=O)(=O)Cl)s2)cc1OC	103874404	XUOOGVZESRAOTC-UHFFFAOYSA-N	389.926	4.624	70	10	GJIE	
CC(=O)Nc1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)c1	217299453	YZMWGBRGIKFNDB-UHFFFAOYSA-N	383.492	4.533	70	10	GJIE	
CCC[C@@H](COc1cccc(OCc2ccccc2)c1)CS(=O)(=O)Cl	399108755	BHHVLOGZPZGZDW-KRWDZBQOSA-N	382.909	4.629	70	10	GJIE	
O=S(=O)(Cl)c1cccc(Oc2cccc(Br)c2Cl)c1	2101741459	GLOYQLPGXLULFR-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
COc1ccc([B-](F)(F)F)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1	2265930327	PTQCZWZRUDXGDV-AWEZNQCLSA-N	391.247	4.974	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160811625	QOBZDKFIJUCFNB-OALUTQOASA-N	390.531	4.982	70	10	GJIE	
CCCOc1ccc([C@H](C)NC(=O)N[C@H]2CCOC(C)(C)C2)cc1OCCC	161132644	IXQHRHBQIYHRPA-WMZOPIPTSA-N	392.540	4.582	70	10	GJIE	
O=C(CSc1ccc(F)cc1)NCc1ccc(C(=O)c2ccccc2)s1	217294154	KRFMQAARROUVLO-UHFFFAOYSA-N	385.485	4.527	70	10	GJIE	
COc1cc(NC(=O)N[C@@H](C)Oc2ccc(Cl)cc2)c(OC)cc1Cl	217295221	WGNZADKUJHCMLW-SNVBAGLBSA-N	385.247	4.557	70	10	GJIE	
C[C@H](C(=O)N1CC[C@](C)([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368345742	LSCUKJPXGADQIN-DJJJIMSYSA-N	399.242	4.977	70	10	GJIE	
C[C@H](CC(=O)N1CC[C@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368347735	GCSCPPLSHYQUGM-HIFRSBDPSA-N	399.242	4.977	70	10	GJIE	
CCN[C@H](Cc1cc(Br)ccc1F)c1ccc(Br)o1	160364159	IVBKPWVOPGPDDE-GFCCVEGCSA-N	391.078	4.837	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1	160511921	YWYJBLZOUOJWMO-HNNXBMFYSA-N	396.874	4.936	70	10	GJIE	
Cc1cccc(Oc2ccccc2NC(=O)[C@H](C)Oc2cccc(CO)c2)c1	160929609	INOQLHFOMZRPHG-KRWDZBQOSA-N	377.440	4.686	70	10	GJIE	
F[B-](F)(F)c1ccc(C(F)(F)F)c(N(Cc2ccccc2)[C@@H]2CCOC2)c1	2116127246	JZQGGQZUNBKUBE-OAHLLOKOSA-N	388.140	4.555	70	10	GJIE	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1	160666391	GPVLLOHTCURTNZ-QHCPKHFHSA-N	390.527	4.519	70	10	GJIE	
O=C(NCc1csc(-c2ccco2)n1)N[C@H](c1ccccc1)c1ccco1	160818758	WVUHMODROKXVAZ-GOSISDBHSA-N	379.441	4.585	70	10	GJIE	
CCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1	217299253	GABWXCHQVSWRLL-UHFFFAOYSA-N	398.503	4.751	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OC2CCCCCCC2)c(Br)c1	721068548	KQMXDKQZQARARH-UHFFFAOYSA-N	381.719	4.868	70	10	GJIE	
Cc1cc(OCCCCCCCS(=O)(=O)Cl)ccc1Br	2294696911	NNZANWBTFKEXIE-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
CCN(CCc1nccs1)C(=O)Nc1cccc(C2SCCS2)c1	161377508	NGJPLAQBPKTFID-UHFFFAOYSA-N	379.576	4.718	70	10	GJIE	
Cc1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1NC(=O)C(C)(C)C	159715639	IAAZGUUSYPRKLF-UHFFFAOYSA-N	397.523	4.613	70	10	GJIE	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	159969000	UOAVXHCTFOOPBT-VBKZILBWSA-N	377.488	4.647	70	10	GJIE	
O=S(=O)(F)c1ccc(OCCCOCc2ccccc2)c(Cl)c1Cl	2016797094	ZFQSNYVTJZTRNN-UHFFFAOYSA-N	393.263	4.637	70	10	GJIE	
C=CCCCCOc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2197461756	PNAJPOMIOGRXSP-UHFFFAOYSA-N	381.719	4.674	70	10	GJIE	
CCC[C@@H]1C[C@@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2200565146	MILZWSRFRLVMJD-RKDXNWHRSA-N	385.682	4.576	70	10	GJIE	
CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CCC([B-](F)(F)F)CC1	2231048410	LJQZYNXYWZRZKQ-UHFFFAOYSA-N	393.279	4.692	70	10	GJIE	
COc1ccccc1NC(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1	160374651	JRJVHAMFOKUYDM-UHFFFAOYSA-N	379.460	4.569	70	10	GJIE	
CC(C)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1	160813882	XYLCEAQMOQNYEJ-MSOLQXFVSA-N	376.504	4.674	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O	217279541	BHZKSXAJIDAKEO-UHFFFAOYSA-N	385.851	4.544	70	10	GJIE	
O=S(=O)(Nc1ccsc1-c1nc(C2CC2)no1)c1cccc2ccccc12	217286939	JMFBAGUXBNOVGC-UHFFFAOYSA-N	397.481	4.630	70	10	GJIE	
CCCCCCCC[C@@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1	757175831	ZFNNQQRRYLYKGI-KRWDZBQOSA-N	389.945	4.601	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1ccco1	160794624	CSUGXQBUFVBNOM-HXUWFJFHSA-N	384.863	4.873	70	10	GJIE	
CC1=CCCCCc2cc(OS(=O)(=O)C(F)(F)F)ccc2OCCC1	1081258058	VKZOYGFXOITYRZ-UHFFFAOYSA-N	378.412	4.747	70	10	GJIE	
CCCCC[C@@H](C)OC(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1	2228002024	BKMXDFSLBQDBKQ-OAHLLOKOSA-N	397.924	4.590	70	10	GJIE	
Cc1cc(CN(C)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)no1	160190060	QIZNIDIGMZHVGA-UHFFFAOYSA-N	392.242	4.749	70	10	GJIE	
CC1(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)CCC1	389404497	JMECLZYWLCHDLH-UHFFFAOYSA-N	388.110	4.599	70	10	GJIE	
C[C@@H](COCc1ccccc1)Cn1cc(S(=O)(=O)Cl)c2c(F)cccc21	719562650	RUEXBASRXYDXML-CQSZACIVSA-N	395.883	4.561	70	10	GJIE	
C[C@@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@@H](c2ccccc2)O1	161169084	YYMWTRCESYKWBZ-BEFAXECRSA-N	377.406	4.784	70	10	GJIE	
Cn1cc(-c2ncc(C(=O)N3CCCC[C@@H]3CCCc3ccccc3)s2)cn1	161349104	SZWJLJIGICIVOS-LJQANCHMSA-N	394.544	4.561	70	10	GJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(I)cc1)C2	217436997	BDADGFXMRWICPG-JDFRZJQESA-N	384.257	4.663	70	10	GJIE	
C[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)c(Cl)c1	160192139	FXQZZPXBSSMTOF-BLLLJJGKSA-N	378.831	4.530	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](c1cc(C(F)(F)F)ccc1Br)C1CC1	1951895316	XHUOYBNWZQQDJT-SNVBAGLBSA-N	391.636	4.530	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cccc(Br)c2)c(Cl)c1	104925734	TUXVHXMXJJTAIT-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CCO[C@H](c1nc(Cl)c(Br)c(COC)n1)C1CCCCC1	160485025	GQTRTDQVXVWGJS-ZDUSSCGKSA-N	377.710	4.697	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N(C[C@@H]1CCCO1)C1CCCC1)c1ccco1	160731237	HWNXSCPMVJETKP-AVRDEDQJSA-N	398.503	4.511	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)cc1Cl)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1	2116127640	AMYVILYIHVUZSP-SJORKVTESA-N	397.657	4.610	70	10	GJIE	
CC1(C)CC(C)(COc2ccc(S(=O)(=O)Cl)cc2Br)C1	2236482788	NYCPJOUZHPHBNG-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
Cc1cc(C)c(OCc2cccc(Br)c2)c(S(=O)(=O)Cl)c1	112351924	MLSRBENOQZILHG-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(Br)c2)n1	159596266	WJBOJIPUTIVPML-KBXCAEBGSA-N	388.309	4.760	70	10	GJIE	
Cc1nnc(-c2cccc(C(=O)N[C@H](C)c3ccc(OCC(C)C)cc3)c2)o1	159781146	DMYQPFIDHQJCCJ-OAHLLOKOSA-N	379.460	4.571	70	10	GJIE	
CC[C@H](NC)c1nnc(-c2cc(C(F)(F)F)ccc2Br)s1	159901464	LCZVUMIGXUUWIZ-JTQLQIEISA-N	380.233	4.657	70	10	GJIE	
C/C(=C/c1ccc(Cl)cc1)CNC1CCN(C(=O)c2ccccc2F)CC1	159990315	CKEUCPCAXXDIFP-PEZBUJJGSA-N	386.898	4.777	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1ccco1	160731599	HWNXSCPMVJETKP-XMSQKQJNSA-N	398.503	4.511	70	10	GJIE	
CC[C@H](N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)c1nccs1	161154742	OMRBUTDIXMFOAL-FXAWDEMLSA-N	395.528	4.881	70	10	GJIE	
C[C@H](NCc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(c1)OCCO2	161413095	OGBJWSQBJRLKGR-LBPRGKRZSA-N	388.439	4.710	70	10	GJIE	
CCOc1cc(NC(=O)NCCc2ccccc2C)cc(OCC)c1OCC	217275263	LKBSLSLPTKJPQE-UHFFFAOYSA-N	386.492	4.555	70	10	GJIE	
Cc1cc(Br)cc(Oc2ccc(S(=O)(=O)Cl)c(C)c2)c1	2168700810	SYSFZGXFZCKFPB-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2c(C)[nH]c3ccc(Cl)cc23)c1	160467484	FFMHDBKHUOBDNG-UHFFFAOYSA-N	376.243	4.994	70	10	GJIE	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161273532	JCDRLKKYYCQHSE-KXBFYZLASA-N	396.491	4.513	70	10	GJIE	
COc1ccc(Br)c(C(=O)N2CCCC[C@@H](c3ccccc3)C2)c1	217287188	WPSAFNIEEWNDCT-MRXNPFEDSA-N	388.305	4.868	70	10	GJIE	
O=S(=O)(Cl)CC1(COc2cccc(OCc3ccccc3)c2)CCCC1	399174524	PJBBRPZYKUCCJZ-UHFFFAOYSA-N	394.920	4.773	70	10	GJIE	
C[C@@H](c1cc(Cl)cc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952630071	JPDZQRWMUIAUMQ-ZETCQYMHSA-N	388.700	4.970	70	10	GJIE	
Cc1cc(Oc2ccccc2S(=O)(=O)Cl)cc(C)c1Br	2158781532	VJQNAGOYRAPDLR-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CC(C)CC[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191425538	GARVFHQFWZSDJA-VIFPVBQESA-N	387.698	4.964	70	10	GJIE	
CC1(C)C[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1(C)C	2205217432	NBKVHVBBYRIJDV-LBPRGKRZSA-N	381.719	4.580	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c(C)c1Br	2234512941	OLJBUPHZIOHCFM-NOZJJQNGSA-N	381.046	4.581	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)[C@H](C)C(C)C	2365872127	CKSAGLDYBTVRMD-MNOVXSKESA-N	383.735	4.744	70	10	GJIE	
Cc1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc(C2CC2)n1	160218189	OLOBYWDELIVADE-UHFFFAOYSA-N	382.851	4.542	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1c1cccn1C)c1ccco1	160527773	PNFJQBXEKZVDCG-UGKGYDQZSA-N	393.487	4.653	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Br)c(Cl)c1	160553755	HFXYXQYSRBFYDL-NSHDSACASA-N	382.685	4.511	70	10	GJIE	
CC(C)c1cc(Br)ccc1OC[C@H](CS(=O)(=O)Cl)C(C)C	163449644	NCPYIVGABOEIGW-GFCCVEGCSA-N	397.762	4.792	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OC[C@H](C)COCc1ccccc1	719539186	BIZUGOKENCFNQH-CQSZACIVSA-N	396.936	4.771	70	10	GJIE	
Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c(C)c1	109526746	KMLLRYJMHLQMGA-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CN[C@H](c1ccc(C)cc1Br)c1ccc(OC)cc1Br	161033822	JMRRTRXSGITRNC-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
CN(CCCOCc1ccccc1)c1cc([B-](F)(F)F)ccc1C(F)(F)F	2116128266	OJEUQCYFMKFXOA-UHFFFAOYSA-N	390.156	4.803	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N(CCC(F)(F)F)CC1CC1	160349087	YWXBAJKPRLGMCD-UHFFFAOYSA-N	377.410	4.623	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160873243	KLHNKLSGHNIFGR-LJQANCHMSA-N	383.492	4.611	70	10	GJIE	
C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161453666	DZJBSNWEXDGKMS-AWEZNQCLSA-N	396.393	4.514	70	10	GJIE	
Cc1cc(OCNC(=O)NCc2ccccc2Br)cc(C)c1Cl	217290835	FLXYPFVTVJSYME-UHFFFAOYSA-N	397.700	4.555	70	10	GJIE	
COc1ccc([C@H](C)NC(=O)N[C@@H](C)Oc2ccc(C(C)C)cc2)cc1OC	217295999	VXDPQMJOOLLJFQ-JKSUJKDBSA-N	386.492	4.612	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCC(C)(C)C1	2155215940	WHASZYLDQHBRAL-LLVKDONJSA-N	381.719	4.643	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCC[C@@H](C)C1	112694578	CTMWFIKSMVKFOJ-BXKDBHETSA-N	381.719	4.643	70	10	GJIE	
Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1	159637300	YOJWBIUWMFADPN-BBRMVZONSA-N	395.425	4.579	70	10	GJIE	
CCN(C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1)[C@H](C)c1cccnc1	161173057	TUMYKQDOFXVJHQ-HZPDHXFCSA-N	385.483	4.863	70	10	GJIE	
C=C/C=C\CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	713680622	WNMWQPJUUAMJLM-ARJAWSKDSA-N	386.094	4.541	70	10	GJIE	
C[C@H](Cc1cc(Cl)cc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)F	1952834577	PMODTCGDXWANDJ-MRVPVSSYSA-N	386.272	4.571	70	10	GJIE	
Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1C	159666540	LDXIXSDQLQRFPQ-KSSFIOAISA-N	391.437	4.514	70	10	GJIE	
Cc1cc(C(=O)N(Cc2ccco2)C2CCCC2)c(C)n1Cc1ccccn1	160889140	QJKFUROYHDQEGI-UHFFFAOYSA-N	377.488	4.726	70	10	GJIE	
CC(C)c1ccc(/C=C/CC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1	160948265	ZFGODBJNEFATMZ-SNAWJCMRSA-N	389.492	4.536	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)s1	161393843	LGHRZMIVGFLUQB-SFHVURJKSA-N	399.585	4.989	70	10	GJIE	
Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(OCc4cscn4)c3)c2C)o1	161394394	DIYASHGLHZYNOG-UHFFFAOYSA-N	394.456	4.574	70	10	GJIE	
C[C@@H]1CCC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)[C@@H]1C	2201127853	FBKMNYVOKZIMGV-GIPNMCIBSA-N	381.719	4.580	70	10	GJIE	
Cc1ccc(COc2ccc(-c3nc(C)c(S(=O)(=O)Cl)s3)cc2)cc1	103875125	AVCRMPDTYSZGGE-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCN(c4nccs4)C3)cc2)cc1	218130686	HRIQKOOCSQVIBE-SFHVURJKSA-N	391.540	4.765	70	10	GJIE	
CN(c1nc2ccc([B-](F)(F)F)cc2s1)[C@H]1CC[C@H]1OCc1ccccc1	2279028992	SLLLOKBZKZMVBZ-DLBZAZTESA-N	391.247	4.535	70	10	GJIE	
CCC[C@H](NC(=O)N(CCc1nccs1)C(C)C)c1ccc(F)cc1F	159826597	JUAILIQQDAZWDY-KRWDZBQOSA-N	381.492	4.925	70	10	GJIE	
CCn1cnnc1C1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)CC1	160017333	ZYQGZZJYLIJCQT-UHFFFAOYSA-N	380.467	4.609	70	10	GJIE	
Fc1ccc(Br)c(OCCNc2ccccc2Br)c1	160598322	WMBVOASXZSOXHV-UHFFFAOYSA-N	389.062	4.842	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1	161445747	ADQLABSEDWMLLQ-HOCLYGCPSA-N	382.414	4.616	70	10	GJIE	
CC[C@@H](C)c1cc(S(=O)(=O)Cl)ccc1OCC(C)=CBr	2234890919	FTRRHKBMHJGHDD-LLVKDONJSA-N	381.719	4.805	70	10	GJIE	
Cc1c(C[B-](F)(F)F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1N=[N+]=[N-]	1887521479	RWSHWHHTFCRLCP-UHFFFAOYSA-N	398.218	4.923	70	10	GJIE	
CC[C@@H](C)c1cc(S(=O)(=O)Cl)ccc1OC/C(C)=C/Br	2234892860	FTRRHKBMHJGHDD-RJCSOLBVSA-N	381.719	4.805	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	160566021	HHOKLFFRQAAJDY-OAHLLOKOSA-N	380.875	4.811	70	10	GJIE	
CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C1(CS(=O)(=O)F)CCCCC1	757555739	PMUQUKYWBABEBJ-INIZCTEOSA-N	385.501	4.502	70	10	GJIE	
CN(c1ncc(Cl)cc1[B-](F)(F)F)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1	2116162476	VTBWBHSCHCUMQX-IAGOWNOFSA-N	397.657	4.610	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC[C@H]1C[C@@H]1C	2182720457	UZHLPUQQMVYNGA-ONGXEEELSA-N	381.719	4.500	70	10	GJIE	
C=CCC(CC=C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2364153779	ONGXSLRRGHWYSG-UHFFFAOYSA-N	383.666	4.660	70	10	GJIE	
CCOc1ccccc1OCNC(=O)NC(c1ccccc1)c1ccccc1	217289494	MKOMZVMHMMZBFB-UHFFFAOYSA-N	376.456	4.510	70	10	GJIE	
Cc1cc(I)ccc1NC(=O)N/C=C/C1CCCCC1	218634695	TXSBDNGANOLZOM-MDZDMXLPSA-N	384.261	4.815	70	10	GJIE	
F[B-](F)(F)c1ccc2nccc(N(Cc3ccccc3)CC(F)(F)F)c2c1	2269876115	IORRZXXHOOLUQQ-UHFFFAOYSA-N	383.124	4.858	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1	2342573344	SEJSDVHEAJFIRX-SFHVURJKSA-N	385.215	4.512	70	10	GJIE	
C[C@H]1CC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@@H]1C	113962164	IRMXAKMVWNKFLA-GARJFASQSA-N	381.719	4.580	70	10	GJIE	
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)Cc1nc(C(C)(C)C)cs1	159373551	AWRMTSMLRFVGPL-ZDUSSCGKSA-N	390.530	4.772	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)c2cnc3onc(C(C)C)c3c2)c2ccccn2)c1	160127693	OANDVRFQBWCZNK-OAQYLSRUSA-N	386.455	4.569	70	10	GJIE	
Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@@H](C)c2ccc3ccccc3c2)s1	161111701	DWRQSVKLACOZAK-AWEZNQCLSA-N	395.528	4.619	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCCC1CCCCC1	381851075	KKBUDXPVUHJDCX-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
Cc1cccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2133913557	BVTBORLQTWWJTE-ZDUSSCGKSA-N	385.215	4.796	70	10	GJIE	
Cc1cc(Oc2cccc(C)c2Br)ccc1S(=O)(=O)Cl	2295738773	HPHGLVUYDILKAC-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(OC(F)(F)F)cc1	159903233	QFFKDDFLCMSILK-KBPBESRZSA-N	376.382	4.578	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1	217265919	PKEFUSVXAJZNRZ-XSXQVXRUSA-N	386.492	4.948	70	10	GJIE	
F[B-](F)(F)c1cnc(SCc2ccc(Cl)cc2)c(Br)c1	2116128201	DKSXTLONCNEWDW-UHFFFAOYSA-N	381.433	4.844	70	10	GJIE	
O=C(c1ccc(Br)cc1Cl)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194129561	LEHKDSWEAMTQKG-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
Cc1cc(Br)cc(CN)c1OCc1cccc(Br)c1	160657208	CXDGOQFOOUSLJV-UHFFFAOYSA-N	385.099	4.558	70	10	GJIE	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1c(F)cc(Br)cc1F	161227923	GHKWXDFFLZSKBY-LBPRGKRZSA-N	391.256	4.540	70	10	GJIE	
Cc1cccc(N2CCN(C(=O)N[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)c1C	217296537	ZSKIEZPLFCPBAA-HXUWFJFHSA-N	395.547	4.683	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)c2ccsc12)C1CC(OCc2ccccc2)C1	2116129656	XCVDTXZQDFPXQT-UHFFFAOYSA-N	391.247	4.535	70	10	GJIE	
COCCCCN(Cc1ccccc1)c1nc2ccc([B-](F)(F)F)cc2s1	2279016544	DSIFIXYQCFBYQR-UHFFFAOYSA-N	393.263	4.784	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)cc(C)c1OCc1ccc(Br)cc1	59061562	DTLOEVBMAOYCAD-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CCc1nnc(-c2ccc(NC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)cc2)o1	161447858	BFDAHUJZBZXQQV-RHSMWYFYSA-N	380.448	4.897	70	10	GJIE	
O=C(N/C=C/c1ccc(Br)cc1)NCCc1ccccc1Cl	218289967	DNURQTODOZKBHP-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
Cc1ccc(Oc2ccc(S(=O)(=O)Cl)c(C)c2)cc1Br	383252463	DNOPCJXTAJTSKO-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccccc1C(F)(F)F	161066571	PFKJHQRMZRMZFL-MRXNPFEDSA-N	386.417	4.766	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1	159376569	NZGNIGGFALSUPB-UHFFFAOYSA-N	376.831	4.909	70	10	GJIE	
COc1ccc(CN(C(=O)NCc2cccc(-c3ccccn3)c2)C2CC2)cc1	160228594	GPUXPDKMAPYBQI-UHFFFAOYSA-N	387.483	4.631	70	10	GJIE	
CN[C@H](CSc1ccc(Cl)cc1)c1c(Br)cnn1C(C)C	160762290	XTWSBTMZGZJHPX-CQSZACIVSA-N	388.762	4.933	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)C[C@H]2CCCO2)c2sccc12	2116131857	FIOZRNBHOXAEDS-OAHLLOKOSA-N	391.247	4.536	70	10	GJIE	
CCc1csc([C@H]2CCCN([C@@H](C)c3nc(Cc4ccccc4)no3)C2)n1	160017357	JATTWPNLPXKDAS-RDJZCZTQSA-N	382.533	4.620	70	10	GJIE	
COc1cccc([C@H]2CN(C(=O)Nc3ccc(OC4CCCC4)cc3)CCO2)c1	160499197	BLOBZPXFUFPGPC-JOCHJYFZSA-N	396.487	4.622	70	10	GJIE	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@H]1CCCc2cc(F)ccc21	160653213	WCUYAEBGNBODDG-NRFANRHFSA-N	395.478	4.569	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cc(Cl)cc(Br)c2)cc1	2166789020	OBUYQJDOFQIHBR-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n1	161445610	ADQLABSEDWMLLQ-GOEBONIOSA-N	382.414	4.616	70	10	GJIE	
C[C@@H](CC(=O)Nc1nc2c(s1)C(=O)CCC2)c1ccc(C(F)(F)F)cc1	216722893	JEOWRPVSZFBYLO-JTQLQIEISA-N	382.407	4.813	70	10	GJIE	
CCOc1ccccc1NC(=O)Nc1cc(OCC)c(OCC)c(OCC)c1	217275026	TVMBATVQBLAXSZ-UHFFFAOYSA-N	388.464	4.925	70	10	GJIE	
O=C(c1ccco1)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)s1	217292616	YQCVMIWGGYWWIO-UHFFFAOYSA-N	380.252	4.809	70	10	GJIE	
Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(Br)c2)n1	159596401	WJBOJIPUTIVPML-KDOFPFPSSA-N	388.309	4.760	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cccc1[C@@H](CS(=O)(=O)Cl)C1CC1	1952684741	IUIIVDOGAZDBBI-LBPRGKRZSA-N	394.320	4.749	70	10	GJIE	
Cc1ccc(-c2noc([C@@H](C)N[C@H](C)c3ccccc3-n3cccn3)n2)cc1F	160847626	AHZKHLVWVOHODR-HZPDHXFCSA-N	391.450	4.782	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)Nc1ccccc1Br	217298307	PFULZUPOMUUYAH-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
CCc1cc(Br)ccc1OCCCCCCS(=O)(=O)Cl	2197472789	JKDCUQCZHRISPQ-UHFFFAOYSA-N	383.735	4.519	70	10	GJIE	
CCCCC[C@H](C)OC(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1	2228002023	BKMXDFSLBQDBKQ-HNNXBMFYSA-N	397.924	4.590	70	10	GJIE	
Cc1nc(-c2ccc(OCc3ccccc3)cc2)sc1S(=O)(=O)Cl	103841008	BBBPQKBFTHIJAR-UHFFFAOYSA-N	379.890	4.625	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)o1	160711952	DDNLMXASIQXAHU-WOJBJXKFSA-N	384.476	4.769	70	10	GJIE	
CN[C@H](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(Br)s1	160707648	LOJSXKJBRWOJFU-GFCCVEGCSA-N	378.257	4.903	70	10	GJIE	
O=C(NCCc1ccsc1)c1cc(C(F)(F)F)ccc1Br	160082333	JMGDBLBZDQVPLI-UHFFFAOYSA-N	378.213	4.502	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1	160205128	WIKTYPHXVMZZFN-MAUKXSAKSA-N	379.464	4.563	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@H](Cc2ccccc2)c2cccs2)s1	161327803	FVQZTTGPUDKNNF-QGZVFWFLSA-N	385.558	4.681	70	10	GJIE	
C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133911740	CCLZHSKHBIYJDT-ZNMIVQPWSA-N	393.279	4.546	70	10	GJIE	
CC(C)[C@H](CCCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2227046171	SUOJWNLESVOFTL-CABCVRRESA-N	393.279	4.546	70	10	GJIE	
CCCCCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	59088489	IOCVMMZJTVJLEX-UHFFFAOYSA-N	390.126	4.989	70	10	GJIE	
CC(C)[C@@H](COc1cc(Cl)c(Cl)cc1Cl)CS(=O)(=O)Cl	115570002	BFWZDIKKXQAMPN-QMMMGPOBSA-N	380.120	4.866	70	10	GJIE	
CCCCOc1ccc(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c(C)c1	159458176	UAZUQGHTOKXYRL-UHFFFAOYSA-N	398.429	4.590	70	10	GJIE	
Cc1ccc(Br)cc1[C@@H](N)Cc1cc(Br)ccc1F	160419351	RQZIBYDZJNOSPB-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2283509292	HUIQRKMHSCSQLK-DJJJIMSYSA-N	397.226	4.796	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1ccc(Br)cc1Cl	112356682	IPGOSBNJIQNMKV-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
Cc1cccc([C@H]2CCCN2Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1	159987783	BITMJNAUWPTUOG-QGZVFWFLSA-N	388.393	4.796	70	10	GJIE	
COc1ccc(-c2cnc(CCC(=O)N[C@H]3CCCc4sccc43)o2)cc1	160225082	ISJLAVPQARPQDT-KRWDZBQOSA-N	382.485	4.538	70	10	GJIE	
O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCC[C@@H]1c1ccco1	160988585	SGJZNXOXBCGCNG-MRXNPFEDSA-N	390.365	4.853	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	217308110	IUVPDMTWRAIMNX-UHFFFAOYSA-N	383.275	4.765	70	10	GJIE	
C[C@@H]1CCC[C@@H]([C@@H](NN)c2cc(Br)c(Br)s2)C1	217321717	XPVORHKDUJNVSU-SOCHQFKDSA-N	382.165	4.604	70	10	GJIE	
O=S(=O)(Cl)C[C@H](c1cc(C(F)(F)F)ccc1Br)C1CC1	1951895315	XHUOYBNWZQQDJT-JTQLQIEISA-N	391.636	4.530	70	10	GJIE	
CC(C)[C@@H](CCCC(=O)N1CCC[C@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2227046174	SUOJWNLESVOFTL-LSDHHAIUSA-N	393.279	4.546	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1=O	217279312	OZUNXZDHWHRLSO-UHFFFAOYSA-N	392.242	4.642	70	10	GJIE	
O=C(c1ccccc1)c1ccc(CNC(=O)c2nc3ccccc3s2)s1	217294114	MHEHZILGPXSBJO-UHFFFAOYSA-N	378.478	4.519	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCCC2CCCCC2)c(Br)c1	305894773	BRWLXGPHJCMHIG-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1C	159666270	LDXIXSDQLQRFPQ-KDOFPFPSSA-N	391.437	4.514	70	10	GJIE	
CC(C)N(CCc1nccs1)CC(=O)Nc1ccccc1Cc1ccccc1	159851136	MBNWRULIPXHSEP-UHFFFAOYSA-N	393.556	4.626	70	10	GJIE	
CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1	161086114	GWPSSHYLJOYLLA-TVQRCGJNSA-N	391.846	4.883	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@@H]2CCc3cc(Cl)ccc32)cc1OC	161240418	QEHKYYFOTIUUBB-IFXJQAMLSA-N	375.896	4.712	70	10	GJIE	
CCc1cc(Br)ccc1Oc1cccc(S(=O)(=O)Cl)c1	2197474443	QZLYMADMTLUMRL-UHFFFAOYSA-N	375.671	4.731	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCC[C@H](C)C1	112694573	CTMWFIKSMVKFOJ-JOYOIKCWSA-N	381.719	4.643	70	10	GJIE	
COC(=O)[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)c2ccccc21	159467796	JHBSCZCPHJMGRV-OAHLLOKOSA-N	397.780	4.666	70	10	GJIE	
CCOC1(c2nc(Cl)c(Br)c(COC)n2)CCCCCC1	160486267	ZYTGBBHROOQZHB-UHFFFAOYSA-N	377.710	4.625	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1	160806593	VDHKPXRWUJZDRR-CVEARBPZSA-N	382.895	4.512	70	10	GJIE	
CN[C@H](c1ccc(OC)c(Br)c1)c1ccc(C)cc1Br	161011439	SOZKCHLNLWHMTG-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
O=C(NCCc1ccccc1Br)NCC12CC3CC(CC(C3)C1)C2	217276540	JKINMNFIEHQXOS-UHFFFAOYSA-N	391.353	4.507	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1C	217281276	HZBIQGPFZKQCTQ-UHFFFAOYSA-N	391.471	4.876	70	10	GJIE	
Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)cc(S(=O)(=O)Cl)c1	2095896639	VTWZWMWINAPIRL-MRXNPFEDSA-N	393.936	4.609	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	59100054	FFNIYLXTRDZSOE-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1	159859812	WQQAJJSEHPRUPL-OAHLLOKOSA-N	398.890	4.825	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N1CCCC[C@H]1c1nccs1)c1ccco1	160714582	LUVQNSIVKAYIFG-QFBILLFUSA-N	397.500	4.771	70	10	GJIE	
COCc1ccc([C@H]2CCCN2C(=O)c2cnn(-c3ccccc3Cl)c2C)o1	161439431	GPQCKYSTAJGUOZ-LJQANCHMSA-N	399.878	4.551	70	10	GJIE	
CC(C)c1cc(S(=O)(=O)F)ccc1OC[C@H](C)COCc1ccccc1	1875866182	WANRSIOUMRXBGD-MRXNPFEDSA-N	380.481	4.700	70	10	GJIE	
CN(c1nc2ccc([B-](F)(F)F)cc2s1)[C@@H]1CC[C@H]1OCc1ccccc1	2279028993	SLLLOKBZKZMVBZ-IAGOWNOFSA-N	391.247	4.535	70	10	GJIE	
CC(C)[C@H](CCCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342484297	BDRMGSISSMTOLH-KBXCAEBGSA-N	393.279	4.546	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C)cc1OCc1cccc(Br)c1	59148027	VXYMNLAYOKIVTB-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
C[C@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1cccc(Cl)c1	159931152	QWJPIMRVGHTDPW-NSHDSACASA-N	380.275	4.578	70	10	GJIE	
C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)c1ccc(Cl)c(Cl)c1	161318013	BTJCIWRWNWLPJB-NSHDSACASA-N	390.274	4.672	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133913783	CTEIFPIMEWKQTM-ZDUSSCGKSA-N	385.215	4.796	70	10	GJIE	
O=C(N[C@@H]1CCCc2sccc21)C1CCN(c2nc3ccccc3s2)CC1	160454631	AGHQXNVSAVTHJI-MRXNPFEDSA-N	397.569	4.768	70	10	GJIE	
c1cc(-c2nc(CN3CCCC[C@@H]3c3nnc4n3CCCC4)cs2)cs1	160589639	GAIBAYCVNXKHSW-MRXNPFEDSA-N	385.562	4.527	70	10	GJIE	
COc1ccc(OC)c([C@H](C)NCc2nc(-c3c(F)cccc3F)cs2)c1	161417556	CHBQKHUEBMTBOF-LBPRGKRZSA-N	390.455	4.956	70	10	GJIE	
C[C@@H]1CC[C@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@H]1C	251645868	FJBUICGNRSXANK-BBBLOLIVSA-N	399.709	4.719	70	10	GJIE	
Cc1sc(Br)c(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1C	2194133984	SYWXAWAPBGVBGI-ZANVPECISA-N	381.046	4.581	70	10	GJIE	
C[C@@H]1CC(Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@H](C)C1	113948744	JWRKCNDFOZDNNI-ZACCUICWSA-N	381.719	4.580	70	10	GJIE	
CC1(C)CCC[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	2163860004	FZNQTLNWVUUOSL-NSHDSACASA-N	381.719	4.724	70	10	GJIE	
CC1(C)C[C@@H]1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191428702	QPZGTZUBMCHFAQ-QMMMGPOBSA-N	385.682	4.576	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c(C)c1Br	2234512944	OLJBUPHZIOHCFM-ZANVPECISA-N	381.046	4.581	70	10	GJIE	
CCN[C@@H](CSc1cccc(Cl)c1)c1c(Br)cnn1CC	160759366	JGZZHVJWBFNRKS-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)NCC12CC3CC(CC(C3)C1)C2	217276143	OYURCACPDCDSSP-UHFFFAOYSA-N	384.520	4.981	70	10	GJIE	
CCC(CC)(COc1cc(Br)ccc1C)CS(=O)(=O)Cl	228387129	NIYXPFCJTUOPFT-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
O=C(c1ccc(Cl)cc1Br)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194131345	ZPLYGOUNGMBASC-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1I	217272832	LZVXHCANNZGRJS-UHFFFAOYSA-N	386.620	4.897	70	10	GJIE	
Cc1noc(-c2sccc2NC(=O)c2cc(Br)ccc2Cl)n1	217285691	SGFXTGVSXYBTTG-UHFFFAOYSA-N	398.669	4.775	70	10	GJIE	
CCc1cccc([C@@H](CS(=O)(=O)Cl)C2CC2)c1NC(=O)OC(C)(C)C	1952940905	BKWLZFQYNTUYRB-HNNXBMFYSA-N	387.929	4.658	70	10	GJIE	
CCOc1ccc(NC(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1	217293932	LIRLZZBDUDRTHC-UHFFFAOYSA-N	386.498	4.761	70	10	GJIE	
CCC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@@H]([B-](F)(F)F)C1	2342482942	PEBIODABTXXVTR-HUUCEWRRSA-N	393.279	4.548	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1ccc(CCC(F)(F)F)cc1	160436551	PTEKABTYYOWIEV-UHFFFAOYSA-N	380.414	4.815	70	10	GJIE	
CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1)CCC2	160801728	TXHHVDSVLUGUFO-BLLLJJGKSA-N	391.512	4.633	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)N/C=C/c1cccc(Br)c1	218055556	OIMISLKOTHRDCS-BQYQJAHWSA-N	381.657	4.904	70	10	GJIE	
CC[C@H]1CCCC[C@H]1Oc1ccc(Br)cc1S(=O)(=O)Cl	111779803	FZSOBVKGTOEOGB-CMPLNLGQSA-N	381.719	4.724	70	10	GJIE	
CCCCn1ncc(NC(=O)NCc2sc(-c3ccccc3)nc2C)c1C	159808610	SOBPGZGMWNXZSM-UHFFFAOYSA-N	383.521	4.745	70	10	GJIE	
CCCc1ccc(OCNC(=O)Nc2ccc(Br)cc2C)cc1	217294224	GQRBBNCGKBKWDB-UHFFFAOYSA-N	377.282	4.868	70	10	GJIE	
CC(C)COc1ccc([C@H](C)NC(=O)Cc2csc(-c3cccnc3)n2)cc1	159851620	RVTSGGBDFKBTLX-INIZCTEOSA-N	395.528	4.660	70	10	GJIE	
Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)n1Cc1ccccn1	159912040	XFVHNHUTWXONFE-OAQYLSRUSA-N	389.499	4.580	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3c(Cl)cccc3Cl)cc2C1=O	217279343	PMZWIIDWCMWOFQ-UHFFFAOYSA-N	392.242	4.642	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	1879742321	CMDFIYYYYSAIIF-UPONEAKYSA-N	387.437	4.618	70	10	GJIE	
CC(C)=C(CN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21)[B-](F)(F)F	2340128980	DFPXUJQLNPZSOH-BNDYYXHWSA-N	377.283	4.552	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1	2342481202	HGCHZCHPOMJYRC-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
Cc1cc(Oc2cc(F)ccc2Br)ccc1S(=O)(=O)Cl	160233067	SCWTWHISYUBIML-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
Brc1ccc2[nH]c(CN(Cc3cccnc3)Cc3ccco3)nc2c1	161384596	QHVPYQYIARAXCQ-UHFFFAOYSA-N	397.276	4.516	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)Nc1ccc2nc(C)c(C)nc2c1	217302196	LEFBBKYWTPECKA-UHFFFAOYSA-N	385.265	4.962	70	10	GJIE	
C[C@@H]1CC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)[C@H](C)C1	2152486253	JTVKYRXDRUWKJF-GIPNMCIBSA-N	381.719	4.580	70	10	GJIE	
O=C(c1c(Cl)cccc1Br)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194131597	BWKFZFQKPPUALB-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
Cc1sc(Br)c(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1C	2194133983	SYWXAWAPBGVBGI-TVQRCGJNSA-N	381.046	4.581	70	10	GJIE	
Cc1cc(N[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1OC1CCOCC1	161264263	XLOUNUQZZJSRTB-INIZCTEOSA-N	379.460	4.776	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1	1953334713	AWNIRNKUEINSQY-UHFFFAOYSA-N	375.610	4.996	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC([B-](F)(F)F)CC1	2231050450	WCYNLTISRBWEFH-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
COc1cccc([C@H]2CN(C(=O)Nc3cccc(OC4CCCC4)c3)CCO2)c1	159414217	DKUFFSSVVVYVTH-JOCHJYFZSA-N	396.487	4.622	70	10	GJIE	
CCOc1cc(NC(=O)NCCCc2ccccc2)cc(OCC)c1OCC	217275322	VDJHWRLCLSKXRV-UHFFFAOYSA-N	386.492	4.637	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N(Cc1ccccc1)C(C)C)c1ccco1	160572198	LMMDNQXOAOTGSS-QFIPXVFZSA-N	378.472	4.998	70	10	GJIE	
CC(C)[C@H](C)[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2365692452	ZMRYURCLGJYQKQ-IUCAKERBSA-N	387.698	4.820	70	10	GJIE	
O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H]1CCCN1c1ccccc1	217824567	PFUWNCQHHBXJQO-SFHVURJKSA-N	377.315	4.711	70	10	GJIE	
CC1(C)Cc2cccc(OCC(=O)N3CCCC[C@@H](c4ccccc4)C3)c2O1	217287079	WNXOLKUNEBPZRJ-HXUWFJFHSA-N	379.500	4.575	70	10	GJIE	
Cc1ccc2cccc(S(=O)(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)c2n1	217289469	AFBLZUHNZFOPJG-LJQANCHMSA-N	398.503	4.641	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc2nc(C)c(C)nc2c1	217301977	BZJREBCVRAKRAV-MRXNPFEDSA-N	378.476	4.836	70	10	GJIE	
O=C(CCCc1nnc(-c2ccccc2)o1)N1CC=C(c2ccccc2F)CC1	160323391	DUKBDTBFJOLRIQ-UHFFFAOYSA-N	391.446	4.514	70	10	GJIE	
C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1	160901194	AGUITAGCOLNCSH-STSQHVNTSA-N	392.547	4.545	70	10	GJIE	
CO[C@@H](C)c1cccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)c1	161158150	QVSUYVKVQLRQNH-LBPRGKRZSA-N	387.277	4.819	70	10	GJIE	
CCCN[C@H](C)c1ncc(-c2cc(Br)ccc2Br)o1	161257312	SNIPNWPJJSDBAN-SECBINFHSA-N	388.103	4.927	70	10	GJIE	
C[C@@H](NCc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(c1)CCC(=O)N2	161481971	SVZCHNIQDRXQAQ-GFCCVEGCSA-N	399.466	4.824	70	10	GJIE	
CCOc1ccc(NC(=O)Nc2cccc(Br)c2)cc1OCC	217275724	UEOWGADONVTOGJ-UHFFFAOYSA-N	379.254	4.891	70	10	GJIE	
O=C(COc1ccccc1Cl)Nc1ccccc1-c1cn2ccsc2n1	218547650	YEECXKTTYCZOQW-UHFFFAOYSA-N	383.860	4.734	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2ccccc2F)o1	159394888	RHXRLXFAOFWTCT-UHFFFAOYSA-N	399.491	4.655	70	10	GJIE	
O=C(Nc1ccn(CC(F)(F)F)n1)N(Cc1ccccc1)C1CCCCC1	160543798	HSOSJARLHWGEMS-UHFFFAOYSA-N	380.414	4.812	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	161177521	YQMHSZDZLYBDGM-UHFFFAOYSA-N	387.505	4.670	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1Oc1cc(Br)ccc1Cl	2102559286	SFJGKDURGLOUFI-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
C[C@@H]1C[C@H]1CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191432564	PIGXUXXKPNBHCT-RKDXNWHRSA-N	385.682	4.576	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC1(C)CC1	2197460588	BBJNBSQTIDGOIH-UHFFFAOYSA-N	381.719	4.508	70	10	GJIE	
O=C(NCCc1ccccc1Br)Nc1ccc(-n2cccc2)cc1	217303529	YLJJPTPMDBGFGN-UHFFFAOYSA-N	384.277	4.604	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCc2ccccc2Br)cc1	217314351	TWUJLBBRBPBGKQ-UHFFFAOYSA-N	376.298	4.617	70	10	GJIE	
COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1cn2ccsc2n1	218534914	HVWQSCSXQBGORB-UHFFFAOYSA-N	383.860	4.977	70	10	GJIE	
Cc1cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2133916850	QRGARDHIYSSUGW-CQSZACIVSA-N	385.215	4.796	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccccc1Cl	88270701	HAVLYTXGDHWXBB-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CCCN[C@H](Cc1ccncc1)c1cc(Br)ccc1Br	160806904	ROUZOGHHDLRFIV-MRXNPFEDSA-N	398.142	4.890	70	10	GJIE	
CCOc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1OCC	217273438	AREWIPXBQVQNJK-UHFFFAOYSA-N	379.254	4.891	70	10	GJIE	
COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Oc2ccc(C(C)C)cc2)cc1OC	217295998	VXDPQMJOOLLJFQ-HZPDHXFCSA-N	386.492	4.612	70	10	GJIE	
Cc1cccc(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)c1	109150585	MFZZJMCTWCFAEK-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
C[C@@H]1CCC[C@@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2118894494	VEDCMANZCCDEQT-XCBNKYQSSA-N	388.110	4.597	70	10	GJIE	
CC(C)c1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)nn1C(C)(C)C	159422619	DYQHRTFYQDULSF-IEBWSBKVSA-N	383.536	4.659	70	10	GJIE	
C[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccccc1-n1cccn1	161254550	ZDBCLEHDKCMIPU-AWEZNQCLSA-N	388.393	4.860	70	10	GJIE	
C[Si]1(C)[Si](C)(C)[Si](C)(Cl)[Si](C)(C)[Si](C)(C)[Si]1(C)Cl	195861817	CAKXQRCDZPGXAF-UHFFFAOYSA-N	389.772	4.932	70	10	GJIE	
Cc1cc(Oc2cccc(Br)c2F)ccc1S(=O)(=O)Cl	2144676967	JETVOYMTYZJINU-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
CCCOc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1OCCC	161444897	IAGMWXRGHGUXTM-LJQANCHMSA-N	389.517	4.539	70	10	GJIE	
CCC[C@H](COc1ccc(Br)cc1C(C)C)CS(=O)(=O)Cl	163448844	GLMKUYHBJJKQHQ-GFCCVEGCSA-N	397.762	4.936	70	10	GJIE	
Cc1cc(Br)ccc1OCC1(CS(=O)(=O)Cl)CCCCC1	115565559	LLYIRKYDYFWZON-UHFFFAOYSA-N	395.746	4.655	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1	2194131540	BMDIXFKNHWSNON-AUUYWEPGSA-N	397.226	4.512	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)ccc21	160871222	SHSFUEWLWDXEFP-CQSZACIVSA-N	385.895	4.864	70	10	GJIE	
O=C(N/C=C/c1cccc(Cl)c1)NCCc1ccccc1Br	218049452	VHAYUIQIPIMKRM-CSKARUKUSA-N	379.685	4.615	70	10	GJIE	
Cc1ccc([C@@H](N)Cc2cc(Br)ccc2F)c(Br)c1	160387209	BRZPPGSZCBWXQO-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
COc1ccc(CCC(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1	218541610	NOTIHVBOPAYBRM-UHFFFAOYSA-N	377.469	4.643	70	10	GJIE	
CC(C)=C(C)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	1877424647	KPTYNAMGKHZJQR-UHFFFAOYSA-N	388.110	4.765	70	10	GJIE	
Cc1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2133915718	KTCOGQZTUBXUIK-CQSZACIVSA-N	385.215	4.796	70	10	GJIE	
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@@H](c2ccc(F)cc2)C1	217288603	WETJYJDPWBAZBM-QGZVFWFLSA-N	381.426	4.765	70	10	GJIE	
O=C(c1cc(Br)c(F)cc1Cl)N1CCC([B-](F)(F)F)CC1	2285977159	AXBRTPYBLOLPRQ-UHFFFAOYSA-N	387.387	4.695	70	10	GJIE	
Cc1ccc([C@@H](N)Cc2ccc(F)cc2Br)c(Br)c1	161415552	FTFXXYYDUAJTIU-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
O=C(NC=C1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	218667634	FPOGRDWBBSOQKU-UHFFFAOYSA-N	389.543	4.951	70	10	GJIE	
C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)S(=O)(=O)Cl	1952645871	MAQJVIOJEUFMTO-QMMMGPOBSA-N	387.807	4.682	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)ccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C	2095895194	FOINJRYZGFZHBD-INIZCTEOSA-N	393.936	4.609	70	10	GJIE	
CC=CCCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2123146510	BXVZYCVAPHLVLL-UHFFFAOYSA-N	388.110	4.765	70	10	GJIE	
C[C@@H](C(=O)N(Cc1ccccc1Br)C1CCCC1)C1CCOCC1	160066218	MTXAGVWJFIIODW-OAHLLOKOSA-N	394.353	4.783	70	10	GJIE	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2S(=O)(=O)C(C)C)o1	160248357	CFNWSJSLYTXQQM-QGZVFWFLSA-N	390.505	4.529	70	10	GJIE	
C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CN3CCCC3=O)cc2)c2ccccc21	160738695	HVNYXWCVZYSQSS-IERDGZPVSA-N	377.488	4.569	70	10	GJIE	
Cc1csc([C@H](C)NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1	161004061	BTAUYUVIRZHHTH-NSHDSACASA-N	395.410	4.539	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CCC[C@@H]([B-](F)(F)F)C1	2133913956	DFYKNYKDAIPFNC-PLKGECRYSA-N	380.239	4.602	70	10	GJIE	
C[C@H]1CCC[C@@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191425111	AAWLRDVRAURTAU-DTWKUNHWSA-N	385.682	4.576	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)NC(=O)Nc2cc(Br)ccn2)cc1	217296800	BFHYQCVUPQYCJK-LBPRGKRZSA-N	378.270	4.514	70	10	GJIE	
O=C(Nc1ccc(I)cc1Cl)[C@@H]1C[C@H]1c1ccccc1	218740664	SNWUWNWHPZWAAB-QWHCGFSZSA-N	397.643	4.687	70	10	GJIE	
CC1(CCOc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)CC1	2123187075	YPOOYRZTXJERQU-UHFFFAOYSA-N	388.110	4.599	70	10	GJIE	
CCOc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2csc(C)n2)cc1	218583524	CZIMMEJXAUGTBY-CQSZACIVSA-N	382.485	4.923	70	10	GJIE	
C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)c1ccccc1	1461757181	WCRQOFANQKPHJX-INIZCTEOSA-N	379.428	4.563	70	10	GJIE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F	2116125899	CTRAIGYJAWHJCF-GFCCVEGCSA-N	387.156	4.960	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	160012275	VSMNCELOYNYORX-UWJYYQICSA-N	394.515	4.801	70	10	GJIE	
Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)n[nH]1	160395529	ZLRUKPVGBXZCNC-DOTOQJQBSA-N	378.476	4.611	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2OC)cc1OC	161238936	GWESOKARWLXUOY-GJZGRUSLSA-N	393.911	4.794	70	10	GJIE	
CCOc1ccc([C@H](N)c2ccc(C)cc2Br)c(Br)c1	161046974	PHIYFDKEAHHDLW-MRXNPFEDSA-N	399.126	4.967	70	10	GJIE	
CC1(C)Cc2cccc(OCC(=O)N3CCCC[C@H](c4ccccc4)C3)c2O1	217287077	WNXOLKUNEBPZRJ-FQEVSTJZSA-N	379.500	4.575	70	10	GJIE	
CCC[C@H](NC(=O)c1cccc(C)c1I)c1cccs1	218029898	CIYUCSVSECEVAW-ZDUSSCGKSA-N	399.297	4.932	70	10	GJIE	
CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133915513	XCBBEFYRJNOQBS-HNNXBMFYSA-N	393.279	4.692	70	10	GJIE	
CCCCOCCCN[C@H]1CCCc2sc(I)cc21	160198976	RRWSZMXTPYKGMV-ZDUSSCGKSA-N	393.334	4.527	70	10	GJIE	
Cc1ccc(C)c(-n2ncc([C@@H](C)NCCCc3nc(C(C)C)no3)c2C)c1	160760917	JHMBEFXNHXHREX-QGZVFWFLSA-N	381.524	4.587	70	10	GJIE	
Cc1cc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2-n2cccn2)c(Cl)c1	160855065	RXBKRNCVKFRIFN-IAGOWNOFSA-N	396.922	4.820	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(Cl)ccc32)cc1OC	161240523	QEHKYYFOTIUUBB-AUUYWEPGSA-N	375.896	4.712	70	10	GJIE	
CC(C)Oc1ccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217080734	HXMHIOISBQGLAF-GCJKJVERSA-N	383.923	4.650	70	10	GJIE	
CCc1ccc([C@@H](C)NC(=O)Nc2ccccc2I)cc1	217272821	HHYWVLRDAQGNIX-GFCCVEGCSA-N	394.256	4.736	70	10	GJIE	
CC[C@H](C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F	2052600638	ARNMIYMPSLYKEZ-LBPRGKRZSA-N	375.145	4.960	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OCC)c1OCC	217274589	CCLRYCYPNMSULR-UHFFFAOYSA-N	393.871	4.762	70	10	GJIE	
CN(C(=O)NCCCOc1ccc(Br)cc1Cl)c1ccccc1	217298979	HZIURAFNADRLFX-UHFFFAOYSA-N	397.700	4.717	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](COc1c(Cl)cc(Cl)cc1Cl)C1CC1	701866988	ANVRTTLPWXERCJ-MRVPVSSYSA-N	378.104	4.620	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)c2ccsc12)[C@@H]1CC[C@H]1OCc1ccccc1	2116127385	QPLIYSAIZKYMMY-IAGOWNOFSA-N	391.247	4.535	70	10	GJIE	
Cc1nnc(-c2ccccc2C(=O)N[C@H](C)c2ccc(OCCC(C)C)cc2)o1	159617767	YZWCROQOHXFMJT-MRXNPFEDSA-N	393.487	4.961	70	10	GJIE	
CC(C)(C)[C@H](COc1cccc(OCc2ccccc2)c1)CS(=O)(=O)Cl	399198548	YQNNQTVXNAXIGS-QGZVFWFLSA-N	396.936	4.875	70	10	GJIE	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(-c2ccccn2)c1	160259183	QVFSEBZALZGNDW-OAHLLOKOSA-N	381.426	4.929	70	10	GJIE	
CCSc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1	159369346	ARLCWVLLBNAJFJ-UHFFFAOYSA-N	399.903	4.763	70	10	GJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1cccc(I)c1	161208040	ZLCNPPORXCMCAL-INIZCTEOSA-N	385.314	4.808	70	10	GJIE	
CCCN[C@H](Cc1ccccn1)c1cc(Br)ccc1Br	160805550	XMJBDBCMQMQZIF-MRXNPFEDSA-N	398.142	4.890	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1	217266408	PBTPWTFGSIZQFP-UHFFFAOYSA-N	393.237	4.937	70	10	GJIE	
CC[C@H](C)N(C)CCN[C@@H](C)c1ccc(Br)cc1Br	217774925	BGMQDVKIOLBTPT-RYUDHWBXSA-N	392.179	4.593	70	10	GJIE	
Cc1nc(N(Cc2ccccc2)[C@H](C)c2cccs2)ncc1[B-](F)(F)F	2052597635	KJUFNUKOKTVYJP-CQSZACIVSA-N	376.236	4.669	70	10	GJIE	
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCC1=CCCC1	160329874	BIJHGWFXCKMAIA-UHFFFAOYSA-N	376.909	4.535	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1	159781624	GEZDOSSLAZYWIF-IBGZPJMESA-N	375.513	4.788	70	10	GJIE	
NC[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1c(F)cccc1Br	161334669	FGPTVICZKMIFFN-VFZGTOFNSA-N	393.083	4.671	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	159384103	OOCBJBVAEVWQIP-QGZVFWFLSA-N	394.544	4.929	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	159384910	SHAHVIUAJKKCCX-MRXNPFEDSA-N	380.517	4.540	70	10	GJIE	
CCSCC[C@@H](C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1	160269789	YDLUSTNSQQOMEP-SECBINFHSA-N	384.261	4.729	70	10	GJIE	
CCN(C(=O)N[C@H](c1ccco1)c1ccccc1OC)[C@@H](C)c1cccnc1	160780722	KXRQAKKETVWASM-KKSFZXQISA-N	379.460	4.565	70	10	GJIE	
O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccoc3)n2)C1	161079452	JEXLDLMGKHLBJD-SJORKVTESA-N	394.418	4.730	70	10	GJIE	
COc1cc(Br)c2oc(CN)c(C(C)(C)C)c2c1Br	161497924	PSVKTZFEDJPNSI-UHFFFAOYSA-N	391.103	4.723	70	10	GJIE	
CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342479123	DGAVRFVPEPZWHS-GOSISDBHSA-N	393.279	4.692	70	10	GJIE	
CC[C@H]1CCC[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	112694520	MRFOPPFOLBLEJK-JQWIXIFHSA-N	381.719	4.724	70	10	GJIE	
C[C@@H](NC(=O)C(=O)Nc1cccnc1-c1ccccc1)c1ccc2ccccc2c1	159981869	JETYCSFGAOPUAP-QGZVFWFLSA-N	395.462	4.718	70	10	GJIE	
CSCCCC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	160769775	QVMJAQLXHRLHEM-UHFFFAOYSA-N	382.451	4.772	70	10	GJIE	
CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1nccs1	161149499	XLABEWUYNZXWEB-LPHOPBHVSA-N	379.529	4.802	70	10	GJIE	
CCCCN(CCC)C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281260	AWYXQOYUZYVEMM-UHFFFAOYSA-N	385.508	4.659	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CC[C@@H](C)C1	2157874853	BJRSJYFNEKJTKV-MWLCHTKSSA-N	381.719	4.500	70	10	GJIE	
C[C@H]1CC[C@H](COc2ccc(S(=O)(=O)Cl)cc2Br)CC1	2193082730	RTGVGXXIMMDJDF-XYPYZODXSA-N	381.719	4.582	70	10	GJIE	
CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342472685	DVSUGOOPRWIPCU-KBXCAEBGSA-N	393.279	4.548	70	10	GJIE	
CC[C@@H]1CCC[C@@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	112694521	MRFOPPFOLBLEJK-ZYHUDNBSSA-N	381.719	4.724	70	10	GJIE	
Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1ccccc1	160731458	LXIHYYOAUQYJDG-UHFFFAOYSA-N	393.082	4.851	70	10	GJIE	
Cc1ccc2[nH]cc(CCC(=O)NC3CCC(N4CCC(C)CC4)CC3)c2c1	161491355	VULAEQJNWLZTMY-UHFFFAOYSA-N	381.564	4.568	70	10	GJIE	
Cc1cccc(/C=C/NC(=O)Nc2ccc(I)cc2C)c1	217891886	HCMSENCVGLTQIO-CMDGGOBGSA-N	392.240	4.700	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C=CCS(=O)(=O)Cl	1952423665	RBCLMJRNPZWSMW-UHFFFAOYSA-N	399.818	4.634	70	10	GJIE	
Cc1cc(-c2noc([C@H](C)N[C@@H](C)c3ccccc3-n3cccn3)n2)ccc1F	160862591	ZKFYNQSUNQWNNH-HOTGVXAUSA-N	391.450	4.782	70	10	GJIE	
COc1cc(C)c(Br)cc1[C@@H](N)c1ccc(C)cc1Br	161043089	WVHAJDWCJDRRTI-INIZCTEOSA-N	399.126	4.885	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCCC[C@@H]1C	704998867	BALHRVKWKUQGSC-JOYOIKCWSA-N	381.719	4.643	70	10	GJIE	
CCC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@H]([B-](F)(F)F)C1	2342482940	PEBIODABTXXVTR-GJZGRUSLSA-N	393.279	4.548	70	10	GJIE	
Cc1nc(-c2ccccc2OCc2ccccc2F)sc1S(=O)(=O)Cl	103834827	FTGAUJBHWODGBV-UHFFFAOYSA-N	397.880	4.764	70	10	GJIE	
CC[C@@H](CC(=O)NC1(c2noc(C(C)C)n2)CCCC1)c1ccc(OC)cc1	160511898	YUXQVTDKOGSDRN-INIZCTEOSA-N	385.508	4.671	70	10	GJIE	
COc1ccc([C@@H](C)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1NC(C)=O	160826353	PTMPZANZNQQHSG-IAGOWNOFSA-N	399.535	4.713	70	10	GJIE	
COc1ccc(CCCNC(=O)c2ccc(CCC(F)(F)F)cc2)cc1OC	161393904	YBEAXKHWKBBLSK-UHFFFAOYSA-N	395.421	4.561	70	10	GJIE	
COc1ccc(OC)c([C@H](C)N[C@H](C)c2cc(Cl)c(OC)cc2OC)c1	160004115	PGWVTYMMXJGCPX-QWHCGFSZSA-N	379.884	4.786	70	10	GJIE	
Cc1cc(Br)ccc1[C@@H](N)Cc1cc(Br)ccc1F	160260101	RUNVULUMSSKEQR-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
Nc1cc(-c2cc(Br)ccc2Br)nn1-c1ccccc1	160741019	QJPCZJIPUPKIHU-UHFFFAOYSA-N	393.082	4.647	70	10	GJIE	
CCN[C@@H](CSc1ccccc1Br)c1c(Cl)cnn1CC	160776413	JJDKJNNBGFEULI-ZDUSSCGKSA-N	388.762	4.762	70	10	GJIE	
O=C(Nc1ccc2c(c1)CCC2)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1	161021137	CPXSKLOHQRDTHB-MOPGFXCFSA-N	390.405	4.534	70	10	GJIE	
CCSc1ccc([C@H](C)NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1	161398188	YJXHTPRTQGYRDX-AAEUAGOBSA-N	397.466	4.523	70	10	GJIE	
CC(C)=CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	698023085	IZZWJQNCAZHWJD-UHFFFAOYSA-N	388.110	4.765	70	10	GJIE	
Cc1ccccc1[C@@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)C(C)(C)C	160852270	MHKAUJWVPCLZFL-QGZVFWFLSA-N	396.457	4.676	70	10	GJIE	
CC[C@@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)c1nccs1	161154644	OMRBUTDIXMFOAL-XLIONFOSSA-N	395.528	4.881	70	10	GJIE	
CCN(CCc1nccs1)Cc1cc(Cl)ccc1OCc1cccnc1	159426043	MNCCYLRJGRLBEL-UHFFFAOYSA-N	387.936	4.835	70	10	GJIE	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)o1	160113672	XSXMNEDRKZCOCS-GHTZIAJQSA-N	397.519	4.740	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1c(Cl)ccc(F)c1Cl	160382386	GHOSSESCERPZIS-SSDOTTSWSA-N	399.175	4.774	70	10	GJIE	
Cc1c(NC(=O)N[C@H]2CCCc3cc(F)ccc32)cccc1C(=O)N1CCCC1	160680826	GYNIZNKOVSQHAH-NRFANRHFSA-N	395.478	4.569	70	10	GJIE	
CCOc1c(Br)cc(CNCCCC2CC2)cc1Br	161421383	DNVWLECABPKQBV-UHFFFAOYSA-N	391.147	4.890	70	10	GJIE	
O=C(c1ccco1)c1ccc(CNC(=O)c2cc(Cl)ccc2Cl)s1	217292614	RUDVUDPQBIAJRY-UHFFFAOYSA-N	380.252	4.809	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(C)(C)CS(=O)(=O)Cl	1952626536	WAYVEBGZWYNZFT-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
CCC[C@H]1C[C@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2200565145	MILZWSRFRLVMJD-IUCAKERBSA-N	385.682	4.576	70	10	GJIE	
Cc1cc(Oc2cc(F)cc(Br)c2)ccc1S(=O)(=O)Cl	133509392	QHDGJVIXTHKMKV-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
C[C@@H]1CCC[C@@H](NCc2cc(Br)c(O)c(Br)c2)[C@@H]1C	218378441	QTITUWRBQRWEEM-GPCCPHFNSA-N	391.147	4.832	70	10	GJIE	
O=S(=O)(Cl)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1	103602056	MFHMRZDERYLQEK-UHFFFAOYSA-N	388.872	4.772	70	10	GJIE	
CCCCCOC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115811699	ITMZRASDJMEOMY-UHFFFAOYSA-N	394.103	4.921	70	10	GJIE	
CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1	159377747	DCDYQZSKEUNDIN-XLIONFOSSA-N	380.536	4.636	70	10	GJIE	
CN[C@H](CSc1ccc(Br)cc1)c1c(Cl)cnn1C(C)C	160691741	CPTRRFBSPPDZCJ-CQSZACIVSA-N	388.762	4.933	70	10	GJIE	
CC(C)(C)c1cc(S(=O)(=O)Cl)ccc1OCCC=CBr	2170703647	GUDMPRCRRCHJHT-UHFFFAOYSA-N	381.719	4.589	70	10	GJIE	
C=C(C)CCCCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	2287466669	IBDYWTIGNQJWNF-UHFFFAOYSA-N	385.682	4.641	70	10	GJIE	
O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161003610	HQGLABRQBRSDPL-DZGCQCFKSA-N	386.829	4.788	70	10	GJIE	
C[C@H](NC(=O)N(Cc1ccccc1)Cc1ccccc1)Oc1ccc(O)cc1	217277775	LOCFBQWFKLYUKE-GOSISDBHSA-N	376.456	4.529	70	10	GJIE	
CO[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1Cl	218321640	XVIQOXUCSGYZOI-IBGZPJMESA-N	375.896	4.520	70	10	GJIE	
F[B-](F)(F)c1cc(Cl)cnc1N(CCC(F)(F)F)Cc1ccccc1	2005017425	DYOSVDAXXAGAMQ-UHFFFAOYSA-N	381.536	4.748	70	10	GJIE	
CC[C@@H]1C[C@@H]1CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	2236504351	VRIQYCRXZVNLBX-MNOVXSKESA-N	381.719	4.500	70	10	GJIE	
Cc1ccc(N)c(C)c1NC(=O)c1cc(Br)ccc1Br	159560493	JMYILHZUXWMZLN-UHFFFAOYSA-N	398.098	4.663	70	10	GJIE	
CCN[C@H](c1ncc(Cl)cc1Cl)c1c(Br)cnn1C(C)C	161277038	POCMMYLZYRBJGJ-CYBMUJFWSA-N	392.128	4.627	70	10	GJIE	
O=C(Cc1cccc2ccccc12)N(CCc1cccs1)C1CCOCC1	217291425	ALUCMDPJGNXGSP-UHFFFAOYSA-N	379.525	4.694	70	10	GJIE	
Cc1ccc(NC(=O)N[C@@H](C)Oc2ccc(Cl)cc2)c(Br)c1	217295252	PEIBJRVKSVHYGW-LLVKDONJSA-N	383.673	4.957	70	10	GJIE	
O=C(c1ccc(Cl)cc1Br)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194131346	ZPLYGOUNGMBASC-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)c1	218548828	HZIXEEWNBULYJM-OAHLLOKOSA-N	377.469	4.777	70	10	GJIE	
CC[C@@H](N[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1)c1nccs1	161126070	KHXRXRNCFWFGSW-MOPGFXCFSA-N	381.501	4.572	70	10	GJIE	
C[C@@H](CCCCc1ccc(NC(=O)OC(C)(C)C)cc1)S(=O)(=O)Cl	1952730712	FFVWGSJTNBPYDU-ZDUSSCGKSA-N	375.918	4.704	70	10	GJIE	
CN(c1nc2ccc([B-](F)(F)F)cc2s1)[C@@H]1CC[C@@H]1OCc1ccccc1	2279028995	SLLLOKBZKZMVBZ-SJORKVTESA-N	391.247	4.535	70	10	GJIE	
N[C@@H](c1cc(F)c(Br)cc1F)c1c(F)cccc1Br	160847644	NKIFDLPNYCHKFQ-ZDUSSCGKSA-N	395.016	4.677	70	10	GJIE	
Cc1ccc(COc2cccc(-c3nc(C)c(S(=O)(=O)Cl)s3)c2)cc1	103875631	JHTYYGNDQPEBTC-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2csc(Br)c2)c2ccccn2)c1	160197350	FEDANRQUVRPHMG-KRWDZBQOSA-N	387.302	4.733	70	10	GJIE	
CN[C@H](Cc1ccc(F)cc1Cl)c1ccc(I)cc1	160571440	AYWZVPLLJPJDQS-OAHLLOKOSA-N	389.639	4.587	70	10	GJIE	
COc1cc(Cl)c([C@H](N)c2c(F)cccc2Br)cc1Cl	160870723	MYHPJHLYWJMJCK-AWEZNQCLSA-N	379.056	4.952	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccccc2Cl)c(Br)c1	59211512	SFYIFFGMHHWESX-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccco3)n2)C1	161161570	YZGNQPAQYHTGFA-JKSUJKDBSA-N	394.418	4.730	70	10	GJIE	
COc1c(Cl)cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217079202	WELDEEGATRDNKP-BEFAXECRSA-N	390.314	4.524	70	10	GJIE	
O=C(NCCCOc1ccccc1Cl)Nc1cccc(Br)c1	217300101	LWYGSSJMBKWEJA-UHFFFAOYSA-N	383.673	4.693	70	10	GJIE	
C[C@@H]1C[C@@H]1CCCCOc1ccc(S(=O)(=O)Cl)cc1Br	2280448724	XZZMTSKMOIWBEG-MNOVXSKESA-N	381.719	4.582	70	10	GJIE	
Cc1ccc(Br)c(OCCCCCCCS(=O)(=O)Cl)c1	2294695818	AGUOJXFBEVQZEA-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
O=C(Nc1ccccc1N1CCC(CO)CC1)c1cc(Cl)sc1Cl	160243404	ZQPBCSBLZUOSGO-UHFFFAOYSA-N	385.316	4.516	70	10	GJIE	
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@H](c2ccc(F)cc2)C1	217288601	WETJYJDPWBAZBM-KRWDZBQOSA-N	381.426	4.765	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCCCCF	306055759	QWUVQCRSIQYGQD-UHFFFAOYSA-N	394.089	4.549	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1	2368343884	UIRJQGMDFGSVCP-IBGZPJMESA-N	397.226	4.887	70	10	GJIE	
F[B-](F)(F)COc1ccc(-c2ccc(I)cc2)cc1	203433230	UKWQRTRZCRNETG-UHFFFAOYSA-N	376.932	4.724	70	10	GJIE	
O=C(c1ccc(Cl)cc1Cl)N(CCc1cccs1)C1CCOCC1	217291352	VTNDPOSNFRINGC-UHFFFAOYSA-N	384.328	4.919	70	10	GJIE	
CC[C@@H](C)c1cc(S(=O)(=O)Cl)ccc1OCCC=CBr	2170705679	LIQHTXPLGIIWIH-LLVKDONJSA-N	381.719	4.805	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC([B-](F)(F)F)CC1	2231050451	WDLRRJOQTNNFEZ-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
CC(C)=C(Br)COc1c(Cl)cc(S(=O)(=O)F)cc1Cl	2340158551	RMGSQVFWMLBJKJ-UHFFFAOYSA-N	392.073	4.719	70	10	GJIE	
Cc1cccc(Oc2ccccc2NC(=O)[C@@H](C)Oc2cccc(CO)c2)c1	160929452	INOQLHFOMZRPHG-QGZVFWFLSA-N	377.440	4.686	70	10	GJIE	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161463942	XDSOULHSSDIZNN-LIRRHRJNSA-N	397.475	4.858	70	10	GJIE	
COc1ccc([C@H](C)NC(=O)N[C@H](C)Oc2ccc(C(C)C)cc2)cc1OC	217296001	VXDPQMJOOLLJFQ-HOTGVXAUSA-N	386.492	4.612	70	10	GJIE	
Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccccc1-c1cn2ccsc2n1	218554057	FTKRRSNNIKULSF-UHFFFAOYSA-N	399.479	4.716	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1	217265890	FOKRELAABXYVOA-UHFFFAOYSA-N	382.460	4.709	70	10	GJIE	
Cc1cc(C)cc(OCC(=O)Nc2ccccc2-c2cn3ccsc3n2)c1	218544514	CGVWLNKHQKVPAJ-UHFFFAOYSA-N	377.469	4.697	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)Cc2ccco2)c(C(F)(F)F)c1	2172765839	XJENSCWDIAMQDW-UHFFFAOYSA-N	399.123	4.955	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H](C)C(C)C	2197462487	YSPSXTPIDYFFTQ-SNVBAGLBSA-N	383.735	4.610	70	10	GJIE	
Cc1cccc(C(=O)N2CCC([B-](F)(F)F)CC2)c1NC(=O)OC(C)(C)C	2231056253	BNTPOFKRKTWORU-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CCC[C@H]([B-](F)(F)F)C1	2253618828	SDXDHVYIGLKNLG-LURJTMIESA-N	375.426	4.618	70	10	GJIE	
CC(C)c1csc([C@@H]2CCCN(CC3CCN(C(=O)C(C)(C)C)CC3)C2)n1	159815192	ZMVVQOFBICWMKH-GOSISDBHSA-N	391.625	4.731	70	10	GJIE	
NN[C@H](CCCC(F)(F)F)c1cc(Br)c(Br)s1	160332136	LZMRUVJCTWRTBT-ZCFIWIBFSA-N	396.070	4.510	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC=C(C)C	2197495511	ZBAWKYKOLOOQJX-UHFFFAOYSA-N	381.719	4.674	70	10	GJIE	
C[C@H](C(=O)N1CC[C@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2342479149	DNBOPDVYDHCJAW-JSGCOSHPSA-N	385.215	4.587	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cccc(C(C)=O)c2)cc(OCC)c1OCC	217274568	LYJCKMOQSHNRBN-UHFFFAOYSA-N	386.448	4.729	70	10	GJIE	
Cc1nc(C)c([B-](F)(F)F)c(N(Cc2ccccc2)[C@H](C)c2cccs2)n1	2116132226	LVNRZRDIQLISPB-CQSZACIVSA-N	390.263	4.977	70	10	GJIE	
Cn1c([C@@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)nc2ccccc21	160007792	HEUATXNDOFPNGQ-IBGZPJMESA-N	383.442	4.604	70	10	GJIE	
COc1ccccc1CCN(C)C(=O)Nc1ccc(COC2CCCC2)cc1	160543426	STFSPYDMAZKNEO-UHFFFAOYSA-N	382.504	4.861	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)NC(=O)Nc1cc(Br)ccn1	217292677	WMRNAFHYXZCRGB-GFCCVEGCSA-N	378.270	4.514	70	10	GJIE	
C[C@@H](N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(I)cc1	218207724	YDEHYPVQMSIACN-NYRQRYPVSA-N	381.301	4.767	70	10	GJIE	
C[C@@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)N[C@H](C)c1ccccc1	159833324	LSKNYEGSMJFLSB-HZPDHXFCSA-N	393.512	4.678	70	10	GJIE	
CN[C@@H](Cc1cc(Br)ccc1F)c1cc2c(s1)CCSC2	160245124	IJWTYXHPLSVJMA-AWEZNQCLSA-N	386.355	4.942	70	10	GJIE	
Cc1cc([C@H](N)Cc2ccc(F)cc2Br)ccc1Br	161417987	KHSPNMJLPXRPJM-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
O=C(CSc1nncs1)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21	159583641	CIFZOUXOWURSPT-ICSRJNTNSA-N	395.553	4.608	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1	217265969	YDIZBZYYTGHJMV-HNNXBMFYSA-N	382.460	4.983	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Cl)cc2Br)cc1	2144773919	MFPSXLTYQHAORM-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC[C@H]1C[C@H]1C	2182720451	UZHLPUQQMVYNGA-KOLCDFICSA-N	381.719	4.500	70	10	GJIE	
CC1(C)C[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1(C)C	2205217431	NBKVHVBBYRIJDV-GFCCVEGCSA-N	381.719	4.580	70	10	GJIE	
CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)s1	160418868	XMJAQBIOPKJSGR-HXUWFJFHSA-N	384.545	4.875	70	10	GJIE	
O=S(=O)(Cl)CCCCCOc1ccc2cc(Br)ccc2c1	113830172	RTCWDTPZSUXIEM-UHFFFAOYSA-N	391.714	4.720	70	10	GJIE	
Cc1nn(C)c(C)c1[C@@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1	217044470	MOSPJXNGWZNGRP-NRFANRHFSA-N	383.499	4.989	70	10	GJIE	
Cc1cc(OCNC(=O)N2CCC(Cc3ccccc3)CC2)cc(C)c1Cl	217290369	VXKFSSNEIKODPB-UHFFFAOYSA-N	386.923	4.957	70	10	GJIE	
COc1ccc([C@H](C)NC(=O)N[C@H](C)Oc2ccccc2C(C)C)cc1OC	217291944	YZHJZQUMISBKSN-HOTGVXAUSA-N	386.492	4.612	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)c2ccsc12)[C@H]1CC[C@H]1OCc1ccccc1	2116127384	QPLIYSAIZKYMMY-DLBZAZTESA-N	391.247	4.535	70	10	GJIE	
CCOc1ccccc1NC(=O)CCSCc1nc(-c2ccc(C)cc2)no1	161371235	SHKCULWZYYPGMM-UHFFFAOYSA-N	397.500	4.706	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](COc1cccc(OCc2ccccc2)c1)CC1CC1	2112863987	NBIYDFGXVZFBSM-GOSISDBHSA-N	394.920	4.629	70	10	GJIE	
N[C@@H](Cc1cc(Br)ccc1F)c1ccc(F)cc1Br	160373961	QGCSQDVSSWSBAD-AWEZNQCLSA-N	391.053	4.732	70	10	GJIE	
CCN[C@H](c1ccc(Br)cc1)c1ccc(Br)cc1OC	160632799	JPKIQFGTEPMKGD-MRXNPFEDSA-N	399.126	4.919	70	10	GJIE	
Cc1cc(S(=O)(=O)F)c(C)c(C)c1OC[C@@H](C)COCc1ccccc1	1875875115	UGNAIJRKWOFVNI-AWEZNQCLSA-N	380.481	4.502	70	10	GJIE	
CC(C)(CCc1cccc(NC(=O)OC(C)(C)C)c1)CS(=O)(=O)Cl	1952621625	CLYLTKROBFSXNZ-UHFFFAOYSA-N	375.918	4.561	70	10	GJIE	
F[B-](F)(F)c1cnc(SC[C@H]2CCCCC2(F)F)c(Br)c1	2283108600	WZIAIHUVYOQDJZ-MRVPVSSYSA-N	389.016	4.816	70	10	GJIE	
Cc1ccc(Br)cc1OCCCCCCCS(=O)(=O)Cl	2294701278	PNKNNLVTPIDCKA-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
CC(C)[C@H](C)OC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	126360717	SPBLRODILZXIJX-LURJTMIESA-N	394.103	4.776	70	10	GJIE	
Cc1cc(Br)cc(CO)c1OCc1cccc(Br)c1	160850081	SLHANSMAYZQVSP-UHFFFAOYSA-N	386.083	4.591	70	10	GJIE	
CO[C@H](C)c1cccc(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1	160967357	ZMZSXKBADCTWBZ-QVKFZJNVSA-N	379.435	4.839	70	10	GJIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2C1=O	217280506	ZNJMCUQJODYIBL-UHFFFAOYSA-N	387.439	4.878	70	10	GJIE	
O=C(Nc1cccc(S(=O)(=O)F)c1)Nc1cc(C(F)(F)F)ccc1Cl	1616047060	PIZVIEJATKELGD-UHFFFAOYSA-N	396.749	4.661	70	10	GJIE	
O=S(=O)(Cl)c1cc(OC(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1	2055422238	IAXCVVKAUCNKIN-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
O=C(c1cccc(Cl)c1Br)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2283202367	OLWPDWSPYIUYJV-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
Cc1ccc(Br)c([C@H](N)Cc2cc(Br)ccc2F)c1	160421491	QWMBIDRFNWEBGI-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)CC2CCC2)c(Br)c1	1981455265	YCLSAEGENQHLGG-UHFFFAOYSA-N	398.055	4.705	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)C[C@@H]2CCCO2)c2sccc12	2116131856	FIOZRNBHOXAEDS-HNNXBMFYSA-N	391.247	4.536	70	10	GJIE	
CC(C)[C@@H](C)[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2365692453	ZMRYURCLGJYQKQ-RKDXNWHRSA-N	387.698	4.820	70	10	GJIE	
C[C@H]1CC[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@@H]1C	113962171	UDPUUGDEGNBOOV-NHCYSSNCSA-N	381.719	4.580	70	10	GJIE	
CC(C)c1cc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)nn1C(C)(C)C	159422493	DYQHRTFYQDULSF-MJGOQNOKSA-N	383.536	4.659	70	10	GJIE	
COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1	161511041	GQQQSZBVHMYDKY-BLLLJJGKSA-N	398.286	4.864	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c(Br)c1C	2237680750	RGRJDIRFGOXYPZ-ZANVPECISA-N	381.046	4.581	70	10	GJIE	
CN(C)CC1CCC(NC(=O)Nc2ccccc2COc2ccccc2)CC1	159428458	WRADZMFDFLMRTM-UHFFFAOYSA-N	381.520	4.508	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161268391	DJRHERVZEYECSM-LJQANCHMSA-N	396.491	4.521	70	10	GJIE	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161458541	ZHDGCGACWORZRX-LIRRHRJNSA-N	397.475	4.858	70	10	GJIE	
CC(C)(C)OC(=O)N[C@H]1CCCc2cc(CI)ccc21	140294245	VUVDWAJHLXPSPO-AWEZNQCLSA-N	387.261	4.524	70	10	GJIE	
Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)c(OCCN(C)C)c1	160680947	SORXTFQMNTYFQM-LJQANCHMSA-N	385.508	4.596	70	10	GJIE	
CCc1cccc(C)c1NC(=O)Nc1ccccc1I	217272836	IDMOMEVAVHUTIM-UHFFFAOYSA-N	380.229	4.806	70	10	GJIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2C1=O	217279705	KEDLZCMOZZWGFJ-UHFFFAOYSA-N	393.487	4.880	70	10	GJIE	
Cc1cc(I)ccc1NC(=O)N/C=C/c1cccc(F)c1	217978732	DYGZIJAYRFQFLO-BQYQJAHWSA-N	396.203	4.531	70	10	GJIE	
CCC(C)(C)CCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	696752550	YOWMCUQEEXDXHF-UHFFFAOYSA-N	387.698	4.721	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cccc(Cl)c2Br)cc1	719434507	AXRLTZFAHQBVSJ-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
F[B-](F)(F)[C@@H]1CCN(Cc2c(Br)cccc2Br)C1	2303097170	MJNDZZPPDIFDKR-MRVPVSSYSA-N	385.838	4.635	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(-c2ccccc2)on1	217286441	PPFGKLOEYNEVNS-UHFFFAOYSA-N	378.413	4.583	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)cc1	2194132752	LRZWCWLLRXQPHK-AUUYWEPGSA-N	397.226	4.512	70	10	GJIE	
CCN(Cc1ccccc1NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)C(C)=O	159440212	MBRSKXJRXVWHMP-ZHRRBRCNSA-N	379.504	4.815	70	10	GJIE	
Cc1cc(Br)cc(CN)c1OCc1ccc(Br)cc1	160642736	UROAWYKCQXABRT-UHFFFAOYSA-N	385.099	4.558	70	10	GJIE	
C[C@@H]1CC[C@@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@H]1C	251645871	FJBUICGNRSXANK-OPRDCNLKSA-N	399.709	4.719	70	10	GJIE	
CSc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)cc1	113294690	YRZSAAJSACICSL-UHFFFAOYSA-N	393.711	4.891	70	10	GJIE	
CCCCc1ccc(NC(=O)N[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1	217283540	UNLCAHIQPNBBAQ-UWJYYQICSA-N	379.504	4.513	70	10	GJIE	
C=CCCCCCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	235761615	RPXSRKTVUUEIQE-UHFFFAOYSA-N	381.719	4.810	70	10	GJIE	
C[C@@H]1CCC[C@@H](COc2ccc(S(=O)(=O)Cl)cc2Br)C1	302628687	SDBBVCOMCUGXNP-GHMZBOCLSA-N	381.719	4.582	70	10	GJIE	
Cc1noc(CSc2ccccc2C(=O)N[C@H]2CCCc3sccc32)n1	160173589	FDWAKRCTRPKBSX-HNNXBMFYSA-N	385.514	4.539	70	10	GJIE	
C[C@@H](NC(=O)Nc1cccc(Oc2ccncc2)c1)c1ccccc1-n1cccn1	160634698	HHMZKCZKMJSMLY-QGZVFWFLSA-N	399.454	4.942	70	10	GJIE	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC2CCN(c3ccccc3)CC2)C1	160901572	XMUQIDGBFRMGBT-NFBKMPQASA-N	386.580	4.927	70	10	GJIE	
COc1ccc([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)c2ccccc12	161056293	JLYYNWOEJIBIER-LJQANCHMSA-N	398.506	4.909	70	10	GJIE	
Cc1cc(C(=O)N(Cc2ccccc2)C2CCCC2)cc(S(=O)(=O)Cl)c1	2095913561	WNSLBTOAVHWGTO-UHFFFAOYSA-N	391.920	4.508	70	10	GJIE	
CCOc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	111229111	ZTDKUPWJCRVTDJ-UHFFFAOYSA-N	391.670	4.568	70	10	GJIE	
CC[C@@H](COc1ccc2cc(Br)ccc2c1)CS(=O)(=O)Cl	115561820	YMBWTARYYCBSKK-NSHDSACASA-N	391.714	4.576	70	10	GJIE	
N[C@H](c1cc(F)c(Br)cc1F)c1c(F)cccc1Br	160847537	NKIFDLPNYCHKFQ-CYBMUJFWSA-N	395.016	4.677	70	10	GJIE	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCO[C@H](c2cccs2)C1	161414495	OAQOISPECRJFMJ-HNNXBMFYSA-N	388.489	4.533	70	10	GJIE	
CCc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281365	IVLQLFNHKWVPKB-UHFFFAOYSA-N	391.471	4.822	70	10	GJIE	
CC[C@@H](C)c1cc(S(=O)(=O)Cl)ccc1OCCOCc1ccccc1	304646452	TUKMWACOPBYXDB-OAHLLOKOSA-N	382.909	4.723	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2283509294	HUIQRKMHSCSQLK-YJYMSZOUSA-N	397.226	4.796	70	10	GJIE	
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H](C)c2c(F)cccc2F)n1	160508572	MIEUHTJYYYOXKX-KRWDZBQOSA-N	395.453	4.704	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2ccncc2Cl)cc1Cl	215822567	KYYSYCOWPGVLGQ-UHFFFAOYSA-N	387.071	4.548	70	10	GJIE	
Cc1cc(OCC/C=C/Br)c(C(C)C)cc1S(=O)(=O)Cl	2170708745	RWBGEVULYYVQCW-GQCTYLIASA-N	381.719	4.723	70	10	GJIE	
C=CCC(CC=C)Oc1c(C)cc(Br)cc1S(=O)(=O)Cl	2364036480	XSEYPLCXEHZPDF-UHFFFAOYSA-N	379.703	4.585	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1O[C@H]1C=CCCC1	123457843	RUEVKYWZFSBYKP-VIFPVBQESA-N	386.094	4.518	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2cccc(CN3CCCC3)c2)c2ccccn2)c1	159982757	IOPNGODVRUVQHG-DEOSSOPVSA-N	385.511	4.505	70	10	GJIE	
C/C(=C/c1ccc(Cl)cc1)CNc1cccc(CN2CCC(C(N)=O)CC2)c1	160085424	JUBDXJFZQYFNBB-LGMDPLHJSA-N	397.950	4.553	70	10	GJIE	
Fc1ccc(-c2nc(CN3CCCC[C@@H]3c3nnc4n3CCCC4)cs2)cc1	160596815	FXYNCWIPCDFPDO-GOSISDBHSA-N	397.523	4.604	70	10	GJIE	
CCCCOc1ccc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1	217539118	HUNRADHGYCLGBP-UHFFFAOYSA-N	394.471	4.559	70	10	GJIE	
O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc2noc(-c3ccccc3)c2c1	217836487	CAKNGPPWLLHUFP-NRFANRHFSA-N	397.478	4.894	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CCC[C@@H]([B-](F)(F)F)C1	2253618836	SDXDHVYIGLKNLG-ZCFIWIBFSA-N	375.426	4.618	70	10	GJIE	
CCC(CC)CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	2363472298	PRIIOUMYFQVBEF-UHFFFAOYSA-N	383.735	4.890	70	10	GJIE	
Cc1csc([C@@H]2CCCN(C(=O)NCc3cccc(-c4ccccn4)c3)C2)n1	160315807	FWKYVYOFRHLFKG-LJQANCHMSA-N	392.528	4.603	70	10	GJIE	
O=C(NCCc1cccc(Br)c1)Nc1ccccc1Br	217272720	GFUKBDPNXNRQLW-UHFFFAOYSA-N	398.098	4.576	70	10	GJIE	
CCS[C@@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(Cl)s2)n1	159944840	HOAWEYGQQPBVHT-ZJUUUORDSA-N	388.946	4.501	70	10	GJIE	
O=C(N[C@H]1CCCc2sccc21)C1CCN(c2nc3ccccc3s2)CC1	160454769	AGHQXNVSAVTHJI-INIZCTEOSA-N	397.569	4.768	70	10	GJIE	
Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)c3ccccc3-n3cccn3)cc2)n1	160718751	SMBIVXZCAAWOPF-KRWDZBQOSA-N	398.470	4.520	70	10	GJIE	
CCC[C@@H](COc1ccc(Br)cc1C(C)C)CS(=O)(=O)Cl	163448720	GLMKUYHBJJKQHQ-LBPRGKRZSA-N	397.762	4.936	70	10	GJIE	
O=S(=O)(Cl)c1cccc(Oc2cc(Br)ccc2Cl)c1	382301080	OXNZBIMHWZUJQI-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
O=S(=O)(Cl)c1cc(C(F)(F)F)c(OC(F)(F)F)cc1C(F)(F)F	2055422318	MTJNEZIAPCTHCI-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
C[C@H]1CC(Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@H](C)C1	113948748	JWRKCNDFOZDNNI-NXEZZACHSA-N	381.719	4.580	70	10	GJIE	
CC(C)CCOC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115810067	AIOSGYHJRFJNBM-UHFFFAOYSA-N	394.103	4.777	70	10	GJIE	
COc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCCc4sccc43)o2)cc1	160224950	ISJLAVPQARPQDT-QGZVFWFLSA-N	382.485	4.538	70	10	GJIE	
Cc1onc(-c2ccncc2)c1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	161189785	GSFJRWZINHYJSQ-UHFFFAOYSA-N	386.455	4.546	70	10	GJIE	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1cc2ccccc2[nH]c1=O	161433062	JQVGPDHOJKDJFE-OAHLLOKOSA-N	397.544	4.569	70	10	GJIE	
CC[C@H](COc1ccc(Br)cc1C(C)C)CS(=O)(=O)Cl	163449897	TUWLRPRNNNVZIX-LLVKDONJSA-N	383.735	4.546	70	10	GJIE	
C[C@@H](NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)Oc1ccc(Cl)cc1	217294657	XIVMZLATFCHSLM-QZWKJPRYSA-N	376.928	4.969	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)c(Cl)c1	160192267	FXQZZPXBSSMTOF-MLGOLLRUSA-N	378.831	4.530	70	10	GJIE	
CN[C@@H](Cc1cccc(Br)c1)c1ccc(Br)cc1OC	160709694	JVXGUYISQVZQTP-HNNXBMFYSA-N	399.126	4.723	70	10	GJIE	
COc1ccc(Sc2ccc(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2)cc1	159526005	GYHZBUFTEKNQBY-AWEZNQCLSA-N	396.516	4.631	70	10	GJIE	
F[B-](F)(F)c1cnc(OCc2cccc(Cl)c2Cl)c(Br)c1	2364742239	XGYJALPQTFKVTN-UHFFFAOYSA-N	399.810	4.784	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1CCCCC1	112632531	MYEAXKSGIZLLIM-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2OCCn2ccnc2)o1	159930646	XWQGCZJUZRYUJW-LJQANCHMSA-N	394.475	4.623	70	10	GJIE	
Cc1cc(Oc2ncc([B-](F)(F)F)cc2Br)c(C)cc1Cl	2193337043	GQFMAWIKGUCRJT-UHFFFAOYSA-N	379.392	4.961	70	10	GJIE	
O=C(c1cc(Br)ccc1Cl)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194120490	KUFFFDCNKRPOGA-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
CCO[C@@H](c1nc(Cl)c(Br)c(COC)n1)C1CCCCC1	160484903	GQTRTDQVXVWGJS-CYBMUJFWSA-N	377.710	4.697	70	10	GJIE	
CCc1nnc(-c2ccc(NC(=O)N3CCCC[C@H]3c3ccc(C)o3)cc2)o1	161447122	JUQAKRYUJVYUNI-KRWDZBQOSA-N	380.448	4.960	70	10	GJIE	
CCCNCc1oc2c(Br)cc(Br)cc2c1COC	161487353	MCTIBASUDBFZJX-UHFFFAOYSA-N	391.103	4.604	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2ccc(N(CC)CC)cc2C)cc1OC	217308398	UOMXUILGSGWNSK-UHFFFAOYSA-N	399.535	4.613	70	10	GJIE	
O=C(c1cc(F)c(Br)cc1Cl)N1CCC[C@H]([B-](F)(F)F)C1	2282985120	XJQNHFHIUPAKBR-ZETCQYMHSA-N	387.387	4.695	70	10	GJIE	
Cc1cccc(COc2ccc(-c3nc(C)c(S(=O)(=O)Cl)s3)cc2)c1	103875386	LMCAUFDNRKMUMO-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
Cn1nccc1-c1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1	159813713	LBPIDDQODUGBIX-UHFFFAOYSA-N	384.064	4.613	70	10	GJIE	
O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cc(-c2cccnc2)on1	160456347	RUYXPACGZGCQDA-UHFFFAOYSA-N	396.406	4.721	70	10	GJIE	
O=C(N/C=C/c1ccc(Cl)cc1)NCCc1cccc(Br)c1	218258736	HFHJCEYSBCCWJO-CSKARUKUSA-N	379.685	4.615	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1C[C@@H](C)C[C@@H](C)C1	250960258	QGJYXHAKECQBND-IWIIMEHWSA-N	395.746	4.889	70	10	GJIE	
CC(=CBr)COc1ccc(S(=O)(=O)Cl)cc1C(C)(C)C	2234893290	OFKDGWATNKRMMH-UHFFFAOYSA-N	381.719	4.589	70	10	GJIE	
O=C(N/C=C/c1ccc(Br)cc1)NCCc1cccc(Cl)c1	218290352	CCXMLJSIEZDLMO-CSKARUKUSA-N	379.685	4.615	70	10	GJIE	
CC(C)c1nc(C2(NC(=O)C[C@H](C)c3ccc(F)cc3F)CCCC2)no1	160509398	HERHTKZVMNLQRT-ZDUSSCGKSA-N	377.435	4.551	70	10	GJIE	
CN[C@@H](c1ccc(OC)cc1Br)c1cc(C)ccc1Br	161457846	WSCQTCDVXGESBZ-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
CCCCN(C)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298653	VHWDFQXXAAMSMU-UHFFFAOYSA-N	399.373	4.957	70	10	GJIE	
C[C@@H](N[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(-n2ccnn2)cc1	159866644	JILMXOLHLPLVAH-HUUCEWRRSA-N	393.878	4.988	70	10	GJIE	
CN(C)Cc1cc(CNC(=O)Nc2ccc(COC3CCCC3)cc2)ccc1F	160525215	UUPYOPXVNMFXEB-UHFFFAOYSA-N	399.510	4.668	70	10	GJIE	
CO[C@H](C)c1cccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)c1	159896439	CTFQYNOSVUSKJM-CQSZACIVSA-N	396.409	4.795	70	10	GJIE	
CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2C1=O	217280537	ROJKZTYVRZLXJZ-UHFFFAOYSA-N	389.814	4.518	70	10	GJIE	
CC(C)c1cc(Br)cc([C@@H](C(F)(F)F)S(=O)(=O)Cl)c1	2265954012	HKWDFASTDMRZTQ-JTQLQIEISA-N	379.625	4.745	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c(F)c1	2342479565	ISSUSKHSTOPBSR-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)o1	159484133	XHBFVDXWFLEGFJ-GOSISDBHSA-N	379.464	4.695	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c2ccccn2)c1	159945645	RJSPQALRDZKEJL-LXBDKUERSA-N	399.494	4.504	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160806276	VDHKPXRWUJZDRR-HOTGVXAUSA-N	382.895	4.512	70	10	GJIE	
Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1	217281376	UIHUBTYPQCYXLI-UHFFFAOYSA-N	391.471	4.876	70	10	GJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1cccc(I)c1)C2	217438247	WFVKIEBYSHZSNH-JDFRZJQESA-N	384.257	4.663	70	10	GJIE	
Fc1cccc(F)c1-c1csc(CN2CCO[C@H](c3cccs3)C2)n1	160187408	MARLGGXFMTYASW-HNNXBMFYSA-N	378.469	4.723	70	10	GJIE	
Cc1cc(N[C@H](C)c2nnc(-c3ccccc3)o2)ccc1OC1CCOCC1	161264415	XLOUNUQZZJSRTB-MRXNPFEDSA-N	379.460	4.776	70	10	GJIE	
O=C(Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl)OCc1ccccc1	2081105625	SHYXZLJINLKOSZ-UHFFFAOYSA-N	394.663	4.670	70	10	GJIE	
CC(C)C(COc1ccc(S(=O)(=O)Cl)cc1Br)C(C)C	2189278353	JAJBUVLJVHCZIN-UHFFFAOYSA-N	383.735	4.684	70	10	GJIE	
N[C@@H](c1ccc(Br)o1)c1cc(C(F)(F)F)ccc1Br	159752265	WXVHJGGITRKOSZ-LLVKDONJSA-N	399.004	4.872	70	10	GJIE	
CC1(C)Cc2cccc(OCC(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)c2O1	217288577	VEQJLMLSESNTKP-IBGZPJMESA-N	397.490	4.714	70	10	GJIE	
C[C@H](NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)Oc1ccc(Cl)cc1	217294659	XIVMZLATFCHSLM-OTQYAVNOSA-N	376.928	4.969	70	10	GJIE	
O=C(NCc1ccc(Cl)cc1)NCc1ccc(C(=O)c2ccccc2)s1	217294682	IZJCUEUQRGKOGC-UHFFFAOYSA-N	384.888	4.632	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)NC(=O)NCc2cccc(Br)c2)cc1	217296726	OUOSZNXWIUGVDF-CQSZACIVSA-N	391.309	4.797	70	10	GJIE	
C[C@@H](c1ccc(C(F)(F)F)cc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952633600	UKDRBZCLCYFHSD-QMMMGPOBSA-N	387.807	4.682	70	10	GJIE	
CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133912921	MOFWPXXTNOGPIA-ZIAGYGMSSA-N	393.279	4.546	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)cc1Cl	2319680380	PJDQXFSARMPZLL-NSHDSACASA-N	391.606	4.751	70	10	GJIE	
CN[C@@H](CSc1ccccc1Cl)c1c(Br)cnn1C(C)C	160749810	HAYKWRLTGVELIY-ZDUSSCGKSA-N	388.762	4.933	70	10	GJIE	
COc1ccc(Br)cc1NCc1ccc(Br)c(F)c1	161303210	CMVROZJWEXSXLM-UHFFFAOYSA-N	389.062	4.971	70	10	GJIE	
CC(C)c1cc(Br)ccc1OCC[C@@H](C)CCS(=O)(=O)Cl	163448959	OVOPSMCYERDJPY-GFCCVEGCSA-N	397.762	4.936	70	10	GJIE	
CCCc1ccc(S(=O)(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1	217289566	WHGIASYEZLYPEU-LJQANCHMSA-N	375.509	4.737	70	10	GJIE	
O=S(=O)(Cl)c1c(OC(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F	2055423128	RNESQVSHQCDPKH-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
C[C@H]1C[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)CC[C@H]1C	113962155	IRMXAKMVWNKFLA-VWYCJHECSA-N	381.719	4.580	70	10	GJIE	
C[C@H]1CC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C[C@@H]1C	113962158	IRMXAKMVWNKFLA-DCAQKATOSA-N	381.719	4.580	70	10	GJIE	
CCOc1ccc(Br)cc1[C@H](N)c1cc(C)ccc1Br	161434043	HYTUTGAHOFDCLL-MRXNPFEDSA-N	399.126	4.967	70	10	GJIE	
Cc1cc(Oc2cc(Br)ccc2F)ccc1S(=O)(=O)Cl	164911492	PPESHJIQXRXJIR-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
CO[C@@H](C)c1cccc(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1	160357920	LMMZEGPTKPRNQT-ZDUSSCGKSA-N	397.302	4.727	70	10	GJIE	
O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CCC[C@H]1c1ccco1	160648270	OODUBYYXXBPRFT-INIZCTEOSA-N	388.830	4.686	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1	160803435	HCLRSDOFFWSTKK-CVEARBPZSA-N	382.895	4.512	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)CC1CC1	2360320263	FCAJYVXFGAKQSH-SECBINFHSA-N	381.719	4.506	70	10	GJIE	
C[C@H](NC(=O)N[C@H]1CCCc2cc(F)ccc21)c1ccc(NC(=O)C2CC2)cc1	160353237	WUFGMMXYITZMLE-QKKBWIMNSA-N	395.478	4.612	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)n1	161262879	PYAGHTQVDMKFKW-UHFFFAOYSA-N	390.418	4.546	70	10	GJIE	
O=C(NCc1cccc2ccccc12)N(Cc1cccs1)C1CCOCC1	217290994	PGAGIKUUUZQBCI-UHFFFAOYSA-N	380.513	4.792	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1Oc1cccc(Br)c1Cl	2102566430	WALNHFMENPSBIQ-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
Cc1cc(Br)cc([C@@H](N)Cc2cc(Br)ccc2F)c1	160305523	VJOLPFLSCWRYGE-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CC[C@@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2	217313412	XCLMLMLKGFXXMX-HXUWFJFHSA-N	382.504	4.533	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](COc1cc(Cl)c(Cl)cc1Cl)C1CC1	701867449	HHNVEPPTPSBSEY-MRVPVSSYSA-N	378.104	4.620	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1	2133916257	ZYSPLTFIUDOKOG-CQSZACIVSA-N	385.215	4.512	70	10	GJIE	
CCCN[C@H](CSc1ccccc1Cl)c1c(Br)cnn1C	160752923	XKZVWXJWWKJITA-CYBMUJFWSA-N	388.762	4.669	70	10	GJIE	
Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	161191810	QIXLOGWQGRJQJS-UHFFFAOYSA-N	396.494	4.953	70	10	GJIE	
Cc1ccc([C@H](O)[C@@H](CN)c2c(Cl)cccc2Cl)c(Br)c1	161499604	LSXMOVMGRCFYDQ-ZBEGNZNMSA-N	389.120	4.840	70	10	GJIE	
Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1	217281216	NBIGSEUNIQRBDF-UHFFFAOYSA-N	377.444	4.568	70	10	GJIE	
O=S(=O)(Cl)c1cc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)(F)F	2055419034	HGAXFIHZZIVLEH-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342480342	NVXSCTXVGUTIAN-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
CCc1noc(C)c1CSCc1nc2scc(-c3ccco3)c2c(=O)[nH]1	159661867	JQXKUHJKXNJBFR-UHFFFAOYSA-N	387.486	4.537	70	10	GJIE	
Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)c(OCCN(C)C)c1	160681071	SORXTFQMNTYFQM-IBGZPJMESA-N	385.508	4.596	70	10	GJIE	
CCCN[C@H](CSc1cccc(Cl)c1)c1c(Br)cnn1C	160761085	KVNQOEJCGIIGOE-CQSZACIVSA-N	388.762	4.669	70	10	GJIE	
Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)c(Cl)c1	217280576	WJUOKJRKXFSBFC-UHFFFAOYSA-N	399.878	4.995	70	10	GJIE	
C[C@@H]1C[C@@H]1CCCCOc1ccc(Br)cc1S(=O)(=O)Cl	2280430750	DXIFJDXMIYPKNN-MNOVXSKESA-N	381.719	4.582	70	10	GJIE	
O=C(c1cccc(Cl)c1Br)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2283202366	OLWPDWSPYIUYJV-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342472686	DVSUGOOPRWIPCU-KDOFPFPSSA-N	393.279	4.548	70	10	GJIE	
CC(C)N(CCc1nccs1)Cc1ccc(C(=O)Nc2ccccc2)cc1	159795769	OUQYSNPPDZJULB-UHFFFAOYSA-N	379.529	4.849	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)CCCc2ccc(F)c(F)c2)c2ccccn2)c1	159892758	YAVITINAKOKKJQ-HSZRJFAPSA-N	380.438	4.897	70	10	GJIE	
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H]1CCCc2cc(F)ccc21	160653080	WCUYAEBGNBODDG-OAQYLSRUSA-N	395.478	4.569	70	10	GJIE	
O=C(c1ccc(Br)c(Cl)c1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194135146	RQPBDOVGUBPKQB-ZANVPECISA-N	381.408	4.556	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)[C@H](C)C(C)C	2365872126	CKSAGLDYBTVRMD-GHMZBOCLSA-N	383.735	4.744	70	10	GJIE	
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)Cc1nc(C(C)(C)C)cs1	159373687	AWRMTSMLRFVGPL-CYBMUJFWSA-N	390.530	4.772	70	10	GJIE	
CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)c1	159994284	PARCDQHVFJEYMZ-IRXDYDNUSA-N	397.519	4.801	70	10	GJIE	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)o1	160113287	XSXMNEDRKZCOCS-NQIIRXRSSA-N	397.519	4.740	70	10	GJIE	
Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCC(c2ccn[nH]2)CC1	160449583	LOHRORRSFDJECR-FQEVSTJZSA-N	394.544	4.653	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)C(F)(F)F)c1	216765860	XRZUXMYCXJDNTC-CYBMUJFWSA-N	394.393	4.717	70	10	GJIE	
CCOc1ccc(OCNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1	217307619	YNBHQCUYRNNLOF-UHFFFAOYSA-N	388.773	4.916	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C=CS(=O)(=O)Cl)cc(C(F)(F)F)c1	1952265791	FPKFGNDGOJKQBZ-UHFFFAOYSA-N	385.791	4.592	70	10	GJIE	
C[C@@H]1CCC[C@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191425110	AAWLRDVRAURTAU-BDAKNGLRSA-N	385.682	4.576	70	10	GJIE	
Cc1ncc(Br)cc1Oc1ccc(S(=O)(=O)Cl)c(Cl)c1	2279943740	PWKVZLDHVIYMLD-UHFFFAOYSA-N	397.077	4.526	70	10	GJIE	
CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)s1	159835671	WOXIQZOAEVTJIJ-DZGCQCFKSA-N	376.522	4.685	70	10	GJIE	
COCCOc1ccc([C@@H](C)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1	161064556	JGAGIMRYGQBIPJ-GKBKNJALSA-N	394.559	4.558	70	10	GJIE	
O=S(=O)(c1ccc2c(c1)CCCC2)N1CCCC[C@H](c2ccc(F)cc2)C1	217289570	UGABPNHJXHYZKX-FQEVSTJZSA-N	387.520	4.663	70	10	GJIE	
C[C@@H](NC(=O)NCc1ccccc1Br)C12CC3CC(CC(C3)C1)C2	217314238	SBMXZCCUOXKWKX-XXWNAHEMSA-N	391.353	4.853	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CC[C@@H](CS(=O)(=O)Cl)C2CC2)c1	1952693591	WIKKFCQAGIVSOQ-HNNXBMFYSA-N	387.929	4.561	70	10	GJIE	
O=S(=O)(Cl)CC1(COc2cccc(Br)c2)CCCCCC1	115567911	ACBDLANEOJFPAK-UHFFFAOYSA-N	395.746	4.737	70	10	GJIE	
CC(C)c1nc2c(n1C)CCN(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C2	159982499	CWZNYUJRYCPZHX-AWEZNQCLSA-N	393.453	4.641	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(F)c(Cl)c1	160192504	FXQZZPXBSSMTOF-WBMJQRKESA-N	378.831	4.530	70	10	GJIE	
COC(=O)C[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)c1ccccc1	160478436	BJVZMUMRNJSJRW-NRFANRHFSA-N	396.487	4.572	70	10	GJIE	
CCCN[C@@H](CSc1ccc(Cl)cc1)c1c(Br)cnn1C	160769273	ZNIOOESJZORFIM-AWEZNQCLSA-N	388.762	4.669	70	10	GJIE	
F[B-](F)(F)c1cnc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1	2115995099	DBSPIUDDLNOOQG-UHFFFAOYSA-N	385.783	4.998	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133917834	YRXDCVQCXKPUIU-NSHDSACASA-N	389.178	4.626	70	10	GJIE	
Cc1cccc(Br)c1OCCCCCCCS(=O)(=O)Cl	2294696210	FRBSNZUTCJNEMK-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C	159598099	SJCDJEKUDWKTHB-IFXJQAMLSA-N	375.513	4.568	70	10	GJIE	
CCC[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1F	160616284	YVUNFMMXIXHNFP-OAQYLSRUSA-N	398.457	4.550	70	10	GJIE	
COc1ccc([C@H](C)NC(=O)N[C@@H](C)Oc2ccccc2C(C)C)cc1OC	217291942	YZHJZQUMISBKSN-JKSUJKDBSA-N	386.492	4.612	70	10	GJIE	
C[C@H]1C[C@@H](C)C[C@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1	251709210	BOLDTUONXZNTSJ-MYJAWHEDSA-N	399.709	4.719	70	10	GJIE	
CCOc1cc(NC(=O)NCCc2cccc(C)c2)cc(OCC)c1OCC	217275279	YAEPLISCYWYQMC-UHFFFAOYSA-N	386.492	4.555	70	10	GJIE	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)c1ccc(Br)cc1F	217515648	LPCLFDKHCJVQBF-LBPRGKRZSA-N	386.261	4.561	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc([C@@H](CS(=O)(=O)Cl)C2CC2)ccc1Cl	1952693928	XPGIFKBXADQPIK-LBPRGKRZSA-N	394.320	4.749	70	10	GJIE	
Cc1cc(C)c(OCc2ccccc2Br)c(S(=O)(=O)Cl)c1	112351969	WGWNXGZVTBNPOC-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160878228	XYVOCNPREBYZJC-LIRRHRJNSA-N	383.492	4.603	70	10	GJIE	
Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)n[nH]1	161216898	XPRQMDZFOQOSEH-MRXNPFEDSA-N	398.510	4.532	70	10	GJIE	
CC(C)(C)C[C@@H](CC(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231044151	HAKDWWMSDGONFJ-CQSZACIVSA-N	393.279	4.546	70	10	GJIE	
O=C(CCOC1CCOCC1)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21	159543928	AJFTWGSWGKIRCH-NOZRDPDXSA-N	393.527	4.550	70	10	GJIE	
Brc1ccc2[nH]c(CN[C@@H](c3ccccc3)c3ccccn3)nc2c1	160330866	WPTJKTPLXAHMFX-FQEVSTJZSA-N	393.288	4.600	70	10	GJIE	
N[C@@H](Cc1cc(Br)ccc1F)c1ccc(Br)c(F)c1	160410627	YBBQUBAWUANGAD-AWEZNQCLSA-N	391.053	4.732	70	10	GJIE	
Cc1nnc(-c2ccccc2C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)o1	160487378	QJYZXAKWQYELJM-HNNXBMFYSA-N	396.516	4.645	70	10	GJIE	
COc1cc(C)cc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1	160629105	AXXDPSJOIKEOIH-UHFFFAOYSA-N	389.455	4.578	70	10	GJIE	
Nc1cccc(CCC(=O)Nc2c(Cl)cc(Br)cc2Cl)c1	160903876	UOEWHIHKNPKXRQ-UHFFFAOYSA-N	388.092	4.909	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1	2133916256	ZYSPLTFIUDOKOG-AWEZNQCLSA-N	385.215	4.512	70	10	GJIE	
C[C@@H](C(=O)N1CC[C@@](C)([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368345741	LSCUKJPXGADQIN-BFUOFWGJSA-N	399.242	4.977	70	10	GJIE	
C[C@@H](CC(=O)N1CCC(CN2CCCC2)CC1)c1cccc(C(F)(F)F)c1	160086225	GZXUTMZVCNTWLD-INIZCTEOSA-N	382.470	4.533	70	10	GJIE	
Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c(OCCN(C)C)c1	160681477	DAPFECPFVBSIGO-IEBWSBKVSA-N	385.508	4.534	70	10	GJIE	
CCCCc1ccc(NC(=O)N[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1	217283542	UNLCAHIQPNBBAQ-UTKZUKDTSA-N	379.504	4.513	70	10	GJIE	
CC(C)(C)OC(=O)N[C@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2	218289351	ITNKBYPTLAHCQB-FQEVSTJZSA-N	378.516	4.765	70	10	GJIE	
Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1C	159666405	LDXIXSDQLQRFPQ-RDTXWAMCSA-N	391.437	4.514	70	10	GJIE	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(-c3cccc(Cl)c3)no2)n1	161315460	TVQTTZBVXKDZAV-UHFFFAOYSA-N	393.834	4.595	70	10	GJIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2C1=O	217279685	PUERDKYCLCEURP-UHFFFAOYSA-N	387.439	4.736	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280360	OLPQGQCKMKIFPD-UHFFFAOYSA-N	393.487	4.850	70	10	GJIE	
Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1C	217281213	LMRKLGDCWHYUBG-UHFFFAOYSA-N	391.471	4.876	70	10	GJIE	
Cc1ccc([C@H](CS(=O)(=O)Cl)C2CC2)c(NC(=O)OC(C)(C)C)c1C	1952687561	KBLIZAYHHRLQQF-OAHLLOKOSA-N	387.929	4.713	70	10	GJIE	
C=CCC[C@@H](C)Oc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2197494066	KUZQAYQLCBQDMX-SNVBAGLBSA-N	381.719	4.673	70	10	GJIE	
CCCC[C@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(OC)cc1	160707511	SKFFAZBYRHTFFH-SFHVURJKSA-N	375.538	4.576	70	10	GJIE	
C[C@H](Cc1cc2ccccc2cc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952728814	QBJUXMOQQDXNOC-GFCCVEGCSA-N	383.897	4.686	70	10	GJIE	
O=C(CCCc1ccc(Br)s1)N1CCC[C@@H]([B-](F)(F)F)C1	2190460553	CQBWVSAMPFEONM-SNVBAGLBSA-N	383.062	4.673	70	10	GJIE	
COCC(C)(C)N(Cc1ccccc1)c1ccnc2ccc([B-](F)(F)F)cc12	2285389534	RDURKLLGJXECAF-UHFFFAOYSA-N	387.234	4.721	70	10	GJIE	
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1	159519409	UGMRGYFTMSJQAX-CYBMUJFWSA-N	399.844	4.624	70	10	GJIE	
COCc1c(CNC(C)C)oc2c(Br)cc(Br)cc12	161485827	XXQUIDQFWACMAL-UHFFFAOYSA-N	391.103	4.602	70	10	GJIE	
CCOc1cc(NC(=O)Nc2nc(C)c(C)s2)cc(OCC)c1OCC	217274973	ZUSRQMVMNXTREK-UHFFFAOYSA-N	379.482	4.600	70	10	GJIE	
Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(Cl)c1	217279755	QEABCRIPSFXVPI-UHFFFAOYSA-N	399.878	4.853	70	10	GJIE	
Fc1cc(F)c2nccc(NCc3ccc(COC4CCOCC4)cc3)c2c1	160070313	FHVIKDBRHBDTPU-UHFFFAOYSA-N	384.426	4.821	70	10	GJIE	
C[C@H]1CCC[C@@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2118894495	VEDCMANZCCDEQT-XVKPBYJWSA-N	388.110	4.597	70	10	GJIE	
CC[C@H](COc1ccc2ccccc2c1Br)CS(=O)(=O)Cl	115562279	BZIBHSJJSXTZJZ-LLVKDONJSA-N	391.714	4.576	70	10	GJIE	
Cc1noc(CCCC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1	159639669	ZWLQFLPYQFOIOA-QPPBQGQZSA-N	389.499	4.678	70	10	GJIE	
CC[C@H](C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1	159945933	YJSVGAGDJPABRT-GLCCWIKHSA-N	380.507	4.631	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCCC=CBr)c(Cl)c1Cl	2051140351	PBOMQIPEDJJDPI-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
CC(C)C[C@@H](COc1cccc(OCc2ccccc2)c1)CS(=O)(=O)Cl	2353830004	IGOOURIWCMUHAH-SFHVURJKSA-N	396.936	4.875	70	10	GJIE	
Cc1nc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc(C2CC2)n1	159908327	IESIDPSARRRSPI-UHFFFAOYSA-N	386.814	4.671	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cc(F)ccc2F)cc(OCC)c1OCC	217275200	IKDUOWQIOYRYQL-UHFFFAOYSA-N	380.391	4.805	70	10	GJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2ccccc2I)cc1	161283127	GACWQVFVUKOWAH-QGZVFWFLSA-N	379.285	4.831	70	10	GJIE	
COc1cccc(-c2ccc(CNC(=O)c3c(-c4ccccn4)noc3C)cc2)c1	161465259	WCJWPSJRNOCOJI-UHFFFAOYSA-N	399.450	4.651	70	10	GJIE	
CCCCCCCC[C@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1	757175835	ZFNNQQRRYLYKGI-QGZVFWFLSA-N	389.945	4.601	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342479924	LUQUQVOATDEIMU-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
CCCOc1ccc2ccccc2c1-c1nc(C)c(S(=O)(=O)Cl)s1	103855207	IWZFQUXJJXGLDC-UHFFFAOYSA-N	381.906	4.988	70	10	GJIE	
C[C@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1cccnc1	160694616	LLBNPRJQNGNRSB-INIZCTEOSA-N	399.416	4.828	70	10	GJIE	
O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCC[C@H]1c1ccco1	161014150	AVFAGXOSISXVLI-IBGZPJMESA-N	376.460	4.787	70	10	GJIE	
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1ccccn1	160808459	SWFYGTAZTAPGGT-LBPRGKRZSA-N	390.274	4.516	70	10	GJIE	
CCCn1cc(CN(CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)cn1	161506317	BOXNHZIZKPASQU-OAHLLOKOSA-N	396.457	4.551	70	10	GJIE	
CCCC1(COc2ccc(Br)cc2S(=O)(=O)Cl)CCC1	2189623006	JWASGMWTDFGYGW-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
CC(C)=C(CN1C[C@]23CCC[C@]2(C1)CN(Cc1ccccc1)C3)[B-](F)(F)F	2340315751	SQPKHZONTVEYOU-NHCUHLMSSA-N	377.283	4.698	70	10	GJIE	
C[C@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1nc(-c2ccccc2)cs1	159592239	LPQFZHLDFLZFKH-YOEHRIQHSA-N	399.541	4.716	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1ccco1	160794497	CSUGXQBUFVBNOM-FQEVSTJZSA-N	384.863	4.873	70	10	GJIE	
CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H](c1ccccc1)c1ccco1	160816145	WFMWRESPLDRPEX-JOCHJYFZSA-N	386.455	4.601	70	10	GJIE	
CCCOc1ccc(NC(=O)N2CCC(C3CCOCC3)CC2)cc1Cl	161306973	PYLCJYBMXKNRKB-UHFFFAOYSA-N	380.916	4.799	70	10	GJIE	
CCCC1(COc2c(Cl)cc(Br)cc2S(=O)(=O)F)CC1	2195209268	BGAHSRIDVVAISC-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
CCCN[C@@H](C1=CCCCO1)c1cc(Br)ccc1Br	160279777	CEBOAVNFPRWXEY-OAHLLOKOSA-N	389.131	4.947	70	10	GJIE	
Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H](C)c2ccc3ccccc3c2)s1	161111809	DWRQSVKLACOZAK-CQSZACIVSA-N	395.528	4.619	70	10	GJIE	
CCC[C@@H](CC)COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2381828383	JRHCVTHJSAAAHJ-SECBINFHSA-N	387.698	4.966	70	10	GJIE	
O=C(NCCC1=CCCC1)c1oc2ccccc2c1CSc1ncccn1	160229778	CPDYKRLXJHCOMX-UHFFFAOYSA-N	379.485	4.745	70	10	GJIE	
Cc1ccc([C@H](N)Cc2ccc(F)cc2Br)cc1Br	161364460	YSXOEAJKXCEQHI-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)NCCCOc1ccccc1C	217300338	OVKXPZSPYLZWCU-UHFFFAOYSA-N	384.476	4.543	70	10	GJIE	
Cc1cc(S(=O)(=O)F)c(C)c(C)c1OC[C@H](C)COCc1ccccc1	1875875116	UGNAIJRKWOFVNI-CQSZACIVSA-N	380.481	4.502	70	10	GJIE	
CC(C)(C)C[C@H](CC(=O)N1CCC[C@@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2133911980	FBPLFAZXSHHYHJ-KGLIPLIRSA-N	393.279	4.546	70	10	GJIE	
Cc1cccc(OCCCCCCCS(=O)(=O)Cl)c1Br	2295817397	DMTVUHQSLWFRJM-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
Cc1cc(Br)c(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1Cl	2368345150	GRMMLWGAVHCIHV-CYBMUJFWSA-N	383.424	4.865	70	10	GJIE	
Clc1cc(I)ccc1NCc1cccc2c1NCCC2	159360964	KEJSVYYVFSTGPU-UHFFFAOYSA-N	398.675	4.915	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)ccc21	160871105	SHSFUEWLWDXEFP-AWEZNQCLSA-N	385.895	4.864	70	10	GJIE	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	161045220	BDMPJRFXRSCKPT-DJIMGWMZSA-N	397.437	4.687	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1	217283483	QGHOJQJMEALIDN-IEBWSBKVSA-N	379.504	4.602	70	10	GJIE	
Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(=O)(=O)Cl)cc2)cc1	585671419	NQEAVTISACEKPY-UHFFFAOYSA-N	382.819	4.713	70	10	GJIE	
CCCC[C@@H](CC)COc1ccc(S(=O)(=O)Cl)cc1Br	109432763	YQDRBKFTBHKABK-LLVKDONJSA-N	383.735	4.972	70	10	GJIE	
CC[C@H](NC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1)c1nccs1	160149363	DXXIXLCEMKVBJI-PKOBYXMFSA-N	380.517	4.581	70	10	GJIE	
Cc1ccc([C@@H](O)[C@H](CN)c2ccc(Cl)c(Cl)c2)c(Br)c1	161507594	PDMQHEZOIDTAMG-MLGOLLRUSA-N	389.120	4.840	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](COc1ccc(OCc2ccccc2)cc1)C1CCC1	2089764107	NSBNYDJOESSVKR-GOSISDBHSA-N	394.920	4.629	70	10	GJIE	
CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342575949	CARMODLBTYODQB-ACJLOTCBSA-N	393.279	4.546	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	160012135	VSMNCELOYNYORX-DYESRHJHSA-N	394.515	4.801	70	10	GJIE	
CCc1nnc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3ccc(C)o3)cc2)o1	161446999	JUQAKRYUJVYUNI-QGZVFWFLSA-N	380.448	4.960	70	10	GJIE	
O=C(c1cccc(Cl)c1Br)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2283202368	OLWPDWSPYIUYJV-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
O=S(=O)(Cl)c1cc(OCc2ccc(Cl)cc2)cc(C(F)(F)F)c1	103604268	FOORQNGXOILNPY-UHFFFAOYSA-N	385.190	4.865	70	10	GJIE	
Cc1nc(-c2ccccc2OCCc2ccccc2)sc1S(=O)(=O)Cl	103848300	WXNFGPKMQXAEBH-UHFFFAOYSA-N	393.917	4.668	70	10	GJIE	
Cc1cccc(COc2ccccc2-c2nc(C)c(S(=O)(=O)Cl)s2)c1	103860657	SBAWPPMBEZDHGU-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
COc1ccccc1[C@@H](CC(C)C)NC(=O)N(CCc1nccs1)C(C)C	159394027	SJWWNQYFZJKWOE-GOSISDBHSA-N	389.565	4.902	70	10	GJIE	
Cc1cc(C)c(NC(=O)c2ccc(Br)cc2O)c(Br)c1	159790647	KXVFLNAAXJBHNE-UHFFFAOYSA-N	399.082	4.786	70	10	GJIE	
CN(Cc1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1)C(=O)OC(C)(C)C	2368443279	XLBJQCDUFBUEHM-LJQANCHMSA-N	399.242	4.507	70	10	GJIE	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)o1	160913000	HHNOXESSTGHWCX-DEZRYOJYSA-N	382.504	4.991	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1F	2133914113	DPAHZCFGCUICNV-NSHDSACASA-N	389.178	4.626	70	10	GJIE	
C[C@@H](CC(=O)N1CC[C@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368347737	GCSCPPLSHYQUGM-ZFWWWQNUSA-N	399.242	4.977	70	10	GJIE	
Fc1cc(F)c2nccc(NCc3cccc(COC4CCOCC4)c3)c2c1	159437438	AOWYTVCUOLQSHC-UHFFFAOYSA-N	384.426	4.821	70	10	GJIE	
CC[C@H](NC(=O)Cc1c(Cl)cccc1OC)c1nc(C(F)(F)F)cs1	160461309	JEIOEHHFFZQUMO-NSHDSACASA-N	392.830	4.634	70	10	GJIE	
CN[C@@H](CSc1ccc(Cl)cc1)c1c(Br)cnn1C(C)C	160762419	XTWSBTMZGZJHPX-AWEZNQCLSA-N	388.762	4.933	70	10	GJIE	
CN[C@@H](c1cc(Br)ccc1Br)[C@H](C)c1ccccn1	160811352	ABNZBCSOVZGSQH-MEBBXXQBSA-N	384.115	4.671	70	10	GJIE	
CCN(C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1	160950881	FKPVMSXOUGMKMQ-ZEYPLWLESA-N	396.531	4.578	70	10	GJIE	
O=C(c1cccc(Cl)c1Br)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2283202365	OLWPDWSPYIUYJV-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
CC(C)[C@@H](COc1c(Cl)cc(Cl)cc1Cl)CS(=O)(=O)Cl	115569838	SZGWKYFAFDDJKH-QMMMGPOBSA-N	380.120	4.866	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	160013656	GHYKIQXNUGEUEU-GOSISDBHSA-N	399.560	4.942	70	10	GJIE	
COc1ccc(NC(=O)NCOc2ccc(Cl)cc2Cl)cc1Cl	217296909	BYESEHBCPCBIPR-UHFFFAOYSA-N	375.639	4.813	70	10	GJIE	
C=CC=CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	1911849495	WNMWQPJUUAMJLM-UHFFFAOYSA-N	386.094	4.541	70	10	GJIE	
O[C@@H](c1cccc(OC2CC2)c1)c1cc(Br)ccc1Br	159952685	HVZBUEOGHLZZLQ-INIZCTEOSA-N	398.094	4.835	70	10	GJIE	
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1	160191371	UBYPKWBTWNYXKF-OAHLLOKOSA-N	393.874	4.560	70	10	GJIE	
CCCn1ncc(Cl)c1[C@H](CSc1ccccc1Br)NC	160774964	XDBLWXFNQLQANZ-ZDUSSCGKSA-N	388.762	4.762	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1	217265918	PKEFUSVXAJZNRZ-HIGJEIRPSA-N	386.492	4.948	70	10	GJIE	
CC[C@H](C)c1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)C)C2=O	217279365	YHLWWLJNNXMHCV-AWEZNQCLSA-N	379.460	4.849	70	10	GJIE	
O=C(c1cc(Br)ccc1Cl)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194120489	KUFFFDCNKRPOGA-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
Cc1noc(CSc2ccccc2C(=O)N2CCc3c(Cl)cccc32)n1	161452060	LURDLFWEYGZIRU-UHFFFAOYSA-N	385.876	4.527	70	10	GJIE	
Cc1cc(I)ccc1NC(=O)N/C=C/c1ccccc1F	217761629	HOYJLVOZJKFAQE-CMDGGOBGSA-N	396.203	4.531	70	10	GJIE	
Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)n1	159555910	PXBLUIOYXYHNGI-OAHLLOKOSA-N	379.460	4.571	70	10	GJIE	
Cc1ccc([C@@H](N)Cc2ccc(F)cc2Br)cc1Br	161364582	YSXOEAJKXCEQHI-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
COc1ccc(Oc2cc(C(F)(F)F)nc(Cl)n2)c(Br)c1	161451976	DSIZCBTZFJQULJ-UHFFFAOYSA-N	383.551	4.712	70	10	GJIE	
CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133913869	QNMZROXCCZZUTN-LSDHHAIUSA-N	393.279	4.548	70	10	GJIE	
CCC(C)(C)CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191423963	MLXHABOFWVYSGH-UHFFFAOYSA-N	387.698	4.966	70	10	GJIE	
COc1ccc([C@@H](C)NC(=O)N[C@H](C)Oc2ccccc2C(C)C)cc1OC	217291943	YZHJZQUMISBKSN-CVEARBPZSA-N	386.492	4.612	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)c(C(=O)N(Cc2ccccc2)C2CCCC2)c1	2095912527	IWZLWYIVMDUMGY-UHFFFAOYSA-N	391.920	4.508	70	10	GJIE	
CC(C)[C@@H](C)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2132763353	SIGSNMLVCYTPFU-QMMMGPOBSA-N	390.126	4.701	70	10	GJIE	
O=C(CCCc1ccc(Br)s1)N1CCC([B-](F)(F)F)CC1	2239529097	KYBNZSPCDVAMAL-UHFFFAOYSA-N	383.062	4.673	70	10	GJIE	
CCN(CC)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298622	SVDZNVWXBUHHOM-UHFFFAOYSA-N	385.346	4.567	70	10	GJIE	
F[B-](F)(F)c1cnc(N2CCC(OCc3ccccc3)CC2)c2sccc12	2116130072	WUZWPJUOVYUFKO-UHFFFAOYSA-N	391.247	4.536	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1	2190459892	NSMDQEAQYYKENK-CZUORRHYSA-N	399.242	4.726	70	10	GJIE	
O=C(CCC(=O)N(Cc1cccs1)C1CCOCC1)c1ccc(Cl)cc1	217290595	VOPSQWZPJPPFIO-UHFFFAOYSA-N	391.920	4.572	70	10	GJIE	
CC(C)(C)C[C@H](CC(=O)N1CCC[C@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2133911979	FBPLFAZXSHHYHJ-KBPBESRZSA-N	393.279	4.546	70	10	GJIE	
C[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(F)c(Cl)c1	160192369	FXQZZPXBSSMTOF-LRDDRELGSA-N	378.831	4.530	70	10	GJIE	
O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1OC(F)(F)F	2055422691	ZZEVBLCITCSOAC-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
O=S(=O)(Cl)C[C@H](COc1cccc(OCc2ccccc2)c1)CC1CC1	2112863988	NBIYDFGXVZFBSM-SFHVURJKSA-N	394.920	4.629	70	10	GJIE	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	160267821	JJQPPAYNRRPCON-SFHVURJKSA-N	389.540	4.793	70	10	GJIE	
CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1	161157467	MUROMQYLLPMMGI-OXQOHEQNSA-N	395.528	4.790	70	10	GJIE	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)C1	217280514	PLLSAZDAWCXDSO-NPMXOYFQSA-N	397.519	4.514	70	10	GJIE	
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218545608	MYGNQDXIJISJTJ-CYBMUJFWSA-N	381.432	4.608	70	10	GJIE	
C[C@@H]1CC(Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@@H](C)C1	113948753	GNULAJFGJTXTIS-UWVGGRQHSA-N	381.719	4.580	70	10	GJIE	
CCN(CCCOCc1ccccc1)c1ccnc2ccc([B-](F)(F)F)cc12	2285388982	LCGRSZUZQPLTMM-UHFFFAOYSA-N	387.234	4.722	70	10	GJIE	
C[C@@H](CC(=O)N(C[C@H]1CCCO1)c1ccncc1)c1cccc(C(F)(F)F)c1	160007926	KHDPQGYOHRCNQV-HNAYVOBHSA-N	392.421	4.806	70	10	GJIE	
O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1	160911883	OPKWDNYNXRGKSR-JPYJTQIMSA-N	398.478	4.564	70	10	GJIE	
CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281311	WSAQJPJFCQCOEV-UHFFFAOYSA-N	399.535	4.952	70	10	GJIE	
O=C(c1ccc(Cl)c(Br)c1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194131107	XLYDKSZOGIZFRQ-NOZJJQNGSA-N	381.408	4.556	70	10	GJIE	
Cc1c(Cl)cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1Br	2368441350	WLUUDITYOQRZJX-CYBMUJFWSA-N	383.424	4.865	70	10	GJIE	
C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)N[C@@H](C)c1ccccc1	159833461	LSKNYEGSMJFLSB-HOTGVXAUSA-N	393.512	4.678	70	10	GJIE	
COC(=O)C[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)c1ccccc1	160478561	BJVZMUMRNJSJRW-OAQYLSRUSA-N	396.487	4.572	70	10	GJIE	
O=C(N(Cc1cccs1)C1CCOCC1)C1(c2cccs2)CCCC1	217290908	UFTYYLVULIOJHZ-UHFFFAOYSA-N	375.559	4.829	70	10	GJIE	
CC(F)(F)CCCCOc1ccc(Br)cc1S(=O)(=O)Cl	2201705475	YCAXSSUJDRRJIQ-UHFFFAOYSA-N	391.661	4.581	70	10	GJIE	
COc1cc(Cl)c([C@@H](O)c2c(F)cccc2Br)cc1Cl	161168540	ZZOZFGJBGVCRDF-CQSZACIVSA-N	380.040	4.985	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1ccc(Cl)cc1Br	161210941	DCMKIUGEGHMMRW-UHFFFAOYSA-N	397.704	4.736	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C	159597980	SJCDJEKUDWKTHB-AUUYWEPGSA-N	375.513	4.568	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2cscc2F)cc1Cl	2234469333	JLNJSPZPVSYZDJ-UHFFFAOYSA-N	375.657	4.701	70	10	GJIE	
CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342472689	DVSUGOOPRWIPCU-RDTXWAMCSA-N	393.279	4.548	70	10	GJIE	
O=C(CCOC1CCOCC1)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21	159544352	AJFTWGSWGKIRCH-UKILVPOCSA-N	393.527	4.550	70	10	GJIE	
O=C(CCc1cccc(Cl)c1)NCc1ccc(C(=O)c2ccsc2)s1	217294767	ZPKYDEIHOBVQMG-UHFFFAOYSA-N	389.929	4.943	70	10	GJIE	
O=S(=O)(Cl)C[C@H](COc1ccc(OCc2ccccc2)cc1)CC1CC1	2112863442	JAEANFKFOVUGCO-SFHVURJKSA-N	394.920	4.629	70	10	GJIE	
Cc1cc([C@H](N)Cc2cc(Br)ccc2F)ccc1Br	160392131	KIUWDNBVBXLNRY-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
O=C(N/C=C/c1ccc(Cl)cc1)NCCc1ccc(Br)cc1	218258994	KZOLFHZOWCDGNR-ZRDIBKRKSA-N	379.685	4.615	70	10	GJIE	
CC(C)CCCCCOc1ccc(S(=O)(=O)Cl)cc1Br	383197354	YDDIXQWWFRSRRH-UHFFFAOYSA-N	383.735	4.972	70	10	GJIE	
O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194129915	MQNXULLCFGEBFS-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
CCCCCN(Cc1ccc(F)cc1)C(=O)CCc1cc2ccccc2[nH]c1=O	159368189	VQAPYYOXFFPITB-UHFFFAOYSA-N	394.490	4.819	70	10	GJIE	
COc1cccc([C@@H]2CN(C(=O)Nc3cccc(OC4CCCC4)c3)CCO2)c1	159414091	DKUFFSSVVVYVTH-QFIPXVFZSA-N	396.487	4.622	70	10	GJIE	
Nc1onc(-c2cc(Br)ccc2Br)c1-c1ccncc1	160788717	UWWGVQMNGGFOCI-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
CN[C@@H](c1ccc(F)c(Br)c1)c1c(F)cccc1Br	160856549	VLUADOBYZBJIQH-AWEZNQCLSA-N	391.053	4.799	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cccc(Br)c2)cc1Cl	1912218400	HPFXRSSKHKDVHS-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC[C@H](CN[C@H](C)c1ccc(OC)c(NC(C)=O)c1)Oc1ccccc1Cl	160448291	NDHXKMPFQKTFPW-RHSMWYFYSA-N	390.911	4.815	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)[C@@H](C)CC	2197493545	FIZZWSQANNMEHQ-VHSXEESVSA-N	383.735	4.752	70	10	GJIE	
CC(C)(C)OC(=O)N[C@H](CBr)Cc1ccc(C(F)(F)F)cc1	149183073	YYMJBNUSLSATBQ-LBPRGKRZSA-N	382.220	4.536	70	10	GJIE	
CCc1cc(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)oc1CC	160143021	UKAMWQIINKFEPJ-UHFFFAOYSA-N	397.496	4.631	70	10	GJIE	
CCSc1ccccc1[C@@H](C)NCc1ccc(Cn2ccccc2=O)cc1	161059296	CLZQIDOFFLEBGQ-GOSISDBHSA-N	378.541	4.859	70	10	GJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2csc(I)c2)cc1	161299795	BULYQKCGVSLSQA-CQSZACIVSA-N	385.314	4.893	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1	217265762	QHKCVGLHQXNOGI-UHFFFAOYSA-N	379.210	4.628	70	10	GJIE	
C[C@H](CCC[C@@H](C)C(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231059201	CYJHYFQZBSVMQR-ZIAGYGMSSA-N	393.279	4.546	70	10	GJIE	
O=C(CCOC1CCOCC1)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21	159544074	AJFTWGSWGKIRCH-ILBGXUMGSA-N	393.527	4.550	70	10	GJIE	
Nc1noc(-c2cc(Br)ccc2Br)c1-c1ccccn1	161314422	WRWGACDSVJUUFP-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
CN[C@H](c1ccc(OC)cc1Br)c1cc(C)ccc1Br	161457724	WSCQTCDVXGESBZ-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
CC(C)=C(F)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	1877407328	OXHOQRVTEXPGOW-UHFFFAOYSA-N	392.073	4.672	70	10	GJIE	
Cc1cccc([C@H](NC(=O)Nc2cccc(-c3noc(C)n3)c2)c2ccccn2)c1	160259039	LZUIMFNDOTUIDE-NRFANRHFSA-N	399.454	4.660	70	10	GJIE	
Cc1ccc([C@H](O)[C@H](CN)c2c(Cl)cccc2Cl)c(Br)c1	161499790	LSXMOVMGRCFYDQ-BZNIZROVSA-N	389.120	4.840	70	10	GJIE	
Cc1cc(Oc2ccc(S(=O)(=O)Cl)cc2)cc(C)c1Br	235870647	IEIFMDZBOAKQQH-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CCc1nc(C2(NCc3nc(-c4c(F)cccc4F)cs3)CCCC2)no1	159894504	NSRPMZPXRGKABT-UHFFFAOYSA-N	390.459	4.593	70	10	GJIE	
CCc1nccn1[C@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1	160627817	YOCMRGHQYLHHTD-HNNXBMFYSA-N	385.817	4.595	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCCC1(C)CC1	2144400703	SJMHDCOTHRWISK-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1	159382128	LCUMAYPUXADVHE-ZWKOTPCHSA-N	389.499	4.788	70	10	GJIE	
O[C@H](c1cc(Br)ccc1Br)c1cccc2c1OCCC2	159750851	ZZMDGGNQJYTTDQ-HNNXBMFYSA-N	398.094	4.618	70	10	GJIE	
Cc1c(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1	217288660	QLIAOLMBLNMNIB-LJQANCHMSA-N	377.463	4.730	70	10	GJIE	
O=C(N/C=C/c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2	218283916	DPYNBQOPMQODMR-AATRIKPKSA-N	375.310	4.688	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CCC([B-](F)(F)F)CC1	2223249012	LNWPPBGCHNFASH-UHFFFAOYSA-N	375.426	4.618	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)c(OC2CCCCCC2)cc1F	150246196	BHODXUDHRVLDSO-UHFFFAOYSA-N	385.682	4.617	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342473723	IIKYUINWOOHRIT-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	159944643	RYOOECSZFRVWNQ-UHFFFAOYSA-N	388.895	4.823	70	10	GJIE	
C[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Cl)cc(Cl)c1	161226143	KFJYDHZWHMZARH-OAHLLOKOSA-N	393.358	4.801	70	10	GJIE	
CCC1CC(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)C1	2176856727	WYRRDSZUEJGLLQ-UHFFFAOYSA-N	381.719	4.500	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1	2368344108	WLNYUMLBTFLALP-LJQANCHMSA-N	399.242	4.806	70	10	GJIE	
O[C@H](c1ccc(OC2CC2)cc1)c1cc(Br)ccc1Br	159919637	LELRQBAOTQDMLV-MRXNPFEDSA-N	398.094	4.835	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)[C@@H](C)c3ccc(Br)cc3)c2)no1	161036212	PVGXICUQNRJAKZ-NSHDSACASA-N	386.249	4.550	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc([C@@H](CS(=O)(=O)Cl)C2CC2)c(Cl)c1	1952683249	UGGRMUMHRRAYEV-ZDUSSCGKSA-N	394.320	4.749	70	10	GJIE	
C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(Br)c(F)cc2Cl)C1	2368344057	VWPCRBPCWDITJX-LBPRGKRZSA-N	387.387	4.695	70	10	GJIE	
Cc1nc(-c2ccc(OCc3ccccc3F)cc2)sc1S(=O)(=O)Cl	103849133	QTHZCGLIWLRQRV-UHFFFAOYSA-N	397.880	4.764	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1ccc(COC2CCCC2)cc1	159964649	IRCXAUKXZRSNNY-UHFFFAOYSA-N	382.508	4.779	70	10	GJIE	
Cc1nc(NC(=O)c2c(F)cccc2Br)c(Cl)cc1Cl	160922573	MXAOBNGQWKMJBD-UHFFFAOYSA-N	378.028	4.851	70	10	GJIE	
Cc1ccc2ccccc2c1[C@H](O)c1csc(I)c1	160968798	VIXKRTFEZYQDCO-MRXNPFEDSA-N	380.250	4.896	70	10	GJIE	
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cncs1	161325208	UOCVWYHVEDHAHA-UHFFFAOYSA-N	391.846	4.664	70	10	GJIE	
Cc1cc(O[C@@H](c2cccc(Br)c2)[C@@H](C)N)ccc1Br	161484861	UIMUGTOMKFCVMF-BDJLRTHQSA-N	399.126	4.987	70	10	GJIE	
Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281100	XKIFYXOADZPWEQ-UHFFFAOYSA-N	377.444	4.568	70	10	GJIE	
C[C@@H](C(=O)N1CCC[C@@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2190465244	RJZDCXKGJPWASO-UKRRQHHQSA-N	399.242	4.977	70	10	GJIE	
CCCCOCCCN[C@@H]1CCCc2sc(I)cc21	160198883	RRWSZMXTPYKGMV-CYBMUJFWSA-N	393.334	4.527	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160806133	VDHKPXRWUJZDRR-JKSUJKDBSA-N	382.895	4.512	70	10	GJIE	
Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)c(C)c1	217280365	QKFKHJBHGPTVHK-UHFFFAOYSA-N	379.460	4.650	70	10	GJIE	
CCOC(=O)c1ccc(NC(=O)NCOc2ccc(C)cc2C(C)(C)C)cc1	217289915	IWLAZMBQVKKGLE-UHFFFAOYSA-N	384.476	4.627	70	10	GJIE	
O=C(Nc1ccc(I)cc1Cl)[C@@H]1C[C@@H]1c1ccccc1	218740553	SNWUWNWHPZWAAB-CHWSQXEVSA-N	397.643	4.687	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2264608722	CEBMDCQOGSPCFU-KGFZYKRKSA-N	387.437	4.618	70	10	GJIE	
CCCCCCCOC(=O)c1cc(S(=O)(=O)Cl)ccc1Br	115810716	BHGRWDHHSMUBFS-UHFFFAOYSA-N	397.718	4.504	70	10	GJIE	
CC(C)c1nc2c(n1C)CCN(C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C2	159982380	CWZNYUJRYCPZHX-CQSZACIVSA-N	393.453	4.641	70	10	GJIE	
Cc1ccc([C@H](O)[C@H](CN)c2ccc(Cl)c(Cl)c2)c(Br)c1	161507480	PDMQHEZOIDTAMG-WBMJQRKESA-N	389.120	4.840	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCCC1CCC1	688882805	LGDPUCPCWVGTEZ-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
O=C(NCCc1cccc(Br)c1)Nc1ccc(-n2cccc2)cc1	217303534	BOAQHURCFSPJFT-UHFFFAOYSA-N	384.277	4.604	70	10	GJIE	
COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccc(Br)cc1	217557611	DOOBVOCBNBALBF-UHFFFAOYSA-N	397.700	4.784	70	10	GJIE	
Cc1ccc(/C=C/NC(=O)Nc2ccc(I)cc2C)cc1	218108960	TUCACLBHHIUDSI-MDZDMXLPSA-N	392.240	4.700	70	10	GJIE	
O=C(CCOC1CCOCC1)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21	159544198	AJFTWGSWGKIRCH-ZCYQVOJMSA-N	393.527	4.550	70	10	GJIE	
CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)CCC2	160878895	KELMZPKUMOVSJU-OUCADQQQSA-N	389.487	4.845	70	10	GJIE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1	2190459893	NSMDQEAQYYKENK-XJKSGUPXSA-N	399.242	4.726	70	10	GJIE	
Fc1cc(F)c2nccc(N3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)c2c1	159638349	VVFHWRIJXQMBMJ-UHFFFAOYSA-N	382.336	4.639	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)NC(=O)NCc2ccccc2Br)cc1	217296706	DZBUMGFCIPAJLO-CQSZACIVSA-N	391.309	4.797	70	10	GJIE	
Cc1cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2133916849	QRGARDHIYSSUGW-AWEZNQCLSA-N	385.215	4.796	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2237313652	QOLPKXMJXHZCBN-ORAYPTAESA-N	397.226	4.796	70	10	GJIE	
CCc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)cc1	109526768	IXYCISFCWZVGDY-UHFFFAOYSA-N	375.671	4.731	70	10	GJIE	
Cc1cc(C)c(NC(=O)c2cc(Br)ccc2Br)cc1N	159589539	RMGJLPXTRKPQQG-UHFFFAOYSA-N	398.098	4.663	70	10	GJIE	
Cc1cc(Cl)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O	217279633	CJHDYVNGPHLDHR-UHFFFAOYSA-N	385.851	4.544	70	10	GJIE	
Cc1ccc2cccc(S(=O)(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)c2n1	217289467	AFBLZUHNZFOPJG-IBGZPJMESA-N	398.503	4.641	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)NC(=O)NCc2ccc(Br)cc2)cc1	217296730	KUCNQJHWGYDIHP-CQSZACIVSA-N	391.309	4.797	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC([B-](F)(F)F)CC1	2268229662	JMQUSSKVUKFVJC-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@H]([B-](F)(F)F)C1	2319679868	KMTRBKBYFLQMSW-JTQLQIEISA-N	391.606	4.751	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccc3c(c2)CCC3)c(Br)c1	109526882	HYKXVDROHVWAQJ-UHFFFAOYSA-N	387.682	4.658	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)N3CC[C@H](C)C[C@H]3c3ccc(C)o3)c2)n[nH]1	159487722	NHMWRSNQCWJKCW-UGSOOPFHSA-N	379.464	4.687	70	10	GJIE	
COc1cccc([C@@H]2CN(C(=O)Nc3ccc(OC4CCCC4)cc3)CCO2)c1	160499075	BLOBZPXFUFPGPC-QFIPXVFZSA-N	396.487	4.622	70	10	GJIE	
CC(=CBr)COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl	2219378540	WQYWQMRYOXHJCM-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
Brc1ccc([C@@H](Cc2ccccn2)N[C@@H]2CCCSC2)cc1	159565366	DSUZTIGMMOLBQD-QZTJIDSGSA-N	377.351	4.613	70	10	GJIE	
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(C2CCCCC2)n[nH]1	160470552	KOCPKKQSQRDIIK-UHFFFAOYSA-N	377.448	4.600	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)CCCc2ncc(-c3ccccc3)o2)n1	161182296	HAVBPHAMRHQOMS-UHFFFAOYSA-N	386.455	4.797	70	10	GJIE	
C[C@@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	161283453	RESYPSYUZUDKLR-MRXNPFEDSA-N	390.449	4.908	70	10	GJIE	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1oc(CC)cc1C	161398357	WUYZJFMEYBYDSO-UHFFFAOYSA-N	387.867	4.906	70	10	GJIE	
CC(C)c1cc(Br)ccc1OC[C@@H](CS(=O)(=O)Cl)C(C)C	163449495	NCPYIVGABOEIGW-LBPRGKRZSA-N	397.762	4.792	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccccc1Br	217314245	VGBKRYGRBVQFNL-CQSZACIVSA-N	391.309	4.717	70	10	GJIE	
Cc1cc(Br)c(C)c(Oc2cccc(S(=O)(=O)Cl)c2)c1	686552639	OCUBRCVHWFVSBZ-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CC(C)c1cc(S(=O)(=O)Cl)ccc1OC[C@@H](C)COCc1ccccc1	719545294	WOPTWUWIGPLHFG-INIZCTEOSA-N	396.936	4.969	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCC[C@@H]1CC1(C)C	1921421683	XVCMCMLRDPUZTA-SNVBAGLBSA-N	381.719	4.500	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1	2239521350	SKZPONVACVFXTI-CYBMUJFWSA-N	399.242	4.726	70	10	GJIE	
CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1	159377585	DCDYQZSKEUNDIN-PXNSSMCTSA-N	380.536	4.636	70	10	GJIE	
Cc1ccc([C@H](C)NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)o1	160459599	RYRGOHZOYSSHPK-LBPRGKRZSA-N	377.872	4.652	70	10	GJIE	
C[C@@H](NC(=O)NCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2	217315399	XOOCARYCBLEVBJ-SFAMEIPESA-N	391.353	4.853	70	10	GJIE	
COc1ccc(CCCN(C)C(=O)NCc2cccc(-c3ccccn3)c2)cc1	160202600	POEUNFLRHOCXSG-UHFFFAOYSA-N	389.499	4.531	70	10	GJIE	
Cc1ccc2[nH]c(C(=O)Nc3ccccc3NC3CCN(C)CC3)c(C)c2c1	160871698	GQPAQEHYDQCBNW-UHFFFAOYSA-N	376.504	4.543	70	10	GJIE	
COc1cccc(C(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)c1O	161473896	BIDLFJODSISIOQ-CQSZACIVSA-N	382.485	4.666	70	10	GJIE	
COc1ccc(NC(=O)N/C=C/c2cccc(Br)c2)cc1Cl	218055101	OPUVGKHUEJERAE-BQYQJAHWSA-N	381.657	4.904	70	10	GJIE	
O=C(Nc1cccc(NC(=O)c2ccoc2)c1)N[C@H]1CCCc2cc(F)ccc21	160678090	GXWGGMALGFAABQ-FQEVSTJZSA-N	393.418	4.870	70	10	GJIE	
C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(-c2ccncc2)c1	161084973	NCSYSZGFWWMJEO-HXUWFJFHSA-N	395.506	4.809	70	10	GJIE	
CCOc1cc(NC(=O)NCCc2ccc(C)cc2)cc(OCC)c1OCC	217275294	SMSHDCSBOYBLDR-UHFFFAOYSA-N	386.492	4.555	70	10	GJIE	
CC(=O)NCCCCCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21	159493142	CWZNSOANOCYASG-ZCYQVOJMSA-N	392.543	4.661	70	10	GJIE	
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H](c2ccccc2)C1	217288426	UQMVQDBRYXMDKD-INIZCTEOSA-N	399.434	4.544	70	10	GJIE	
CN(c1ncc(Cl)cc1[B-](F)(F)F)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1	2116162475	VTBWBHSCHCUMQX-DLBZAZTESA-N	397.657	4.610	70	10	GJIE	
O=C(c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Br	159766018	SEFJDMAWMLENLC-UHFFFAOYSA-N	396.078	4.768	70	10	GJIE	
CCN(CCc1nccs1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	161452262	LBCRGNMSFHZHHE-UHFFFAOYSA-N	387.505	4.671	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cccc(N(C)C)c2)cc(OCC)c1OCC	217274945	TUIUFLJUNJUCSL-UHFFFAOYSA-N	387.480	4.593	70	10	GJIE	
O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161003984	GXIDJFZLFPNQCB-CJNGLKHVSA-N	386.829	4.788	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1ccc2ncsc2c1	217294802	JRALLRJSHRRWPW-UHFFFAOYSA-N	378.478	4.519	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H](C)C1CCC1	398802652	IUGUAAKBLQHWRY-JTQLQIEISA-N	381.719	4.500	70	10	GJIE	
C[C@H](CC1CC1)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2335184909	KAYYQTAOURXQMU-SSDOTTSWSA-N	388.110	4.597	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)[C@H](C)CC	2197493543	FIZZWSQANNMEHQ-NXEZZACHSA-N	383.735	4.752	70	10	GJIE	
Cc1cc(NC(=O)NCc2ccccc2Br)ccc1Br	217314390	APLQLUZLRLLLAV-UHFFFAOYSA-N	398.098	4.842	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c(Br)c1C	2237680747	RGRJDIRFGOXYPZ-NOZJJQNGSA-N	381.046	4.581	70	10	GJIE	
C[C@@H]1CCCC[C@@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191426983	WNRHAYKHLKWILC-KCJUWKMLSA-N	385.682	4.718	70	10	GJIE	
C[C@@H](CCC[C@H](C)C(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231059198	CYJHYFQZBSVMQR-KBPBESRZSA-N	393.279	4.546	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cccc(Cl)c2)c(Br)c1	59211513	QQKLSELECPASIG-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC(C)COc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)cc1	159478297	QANKPBIADXYBQV-MRXNPFEDSA-N	395.528	4.660	70	10	GJIE	
CC1CCC(COc2ccc(Br)cc2S(=O)(=O)Cl)CC1	312649636	YLHFNURAGXXVTM-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
CC(C)=C(CN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21)[B-](F)(F)F	2340128983	DFPXUJQLNPZSOH-XCJLJZCSSA-N	377.283	4.552	70	10	GJIE	
CCCc1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1S(=O)(=O)Cl	147480229	CFLKFBAVXAYLFA-UHFFFAOYSA-N	388.103	4.713	70	10	GJIE	
Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C/C=C/c4ccc(F)cc4)C3)nc2c1	159995774	WVWBKOFYKUQNNI-ROVVAWJSSA-N	377.463	4.820	70	10	GJIE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1	2190459890	NSMDQEAQYYKENK-BBRMVZONSA-N	399.242	4.726	70	10	GJIE	
C[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)c1nc(-c2ccccc2)cs1	159592360	LPQFZHLDFLZFKH-PBHICJAKSA-N	399.541	4.716	70	10	GJIE	
CN(C)CC1CCC(NC(=O)Nc2cccc(CSc3ccccn3)c2)CC1	159808660	OZNLGSYZVOFBQP-UHFFFAOYSA-N	398.576	4.616	70	10	GJIE	
Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCN3c3nccs3)cc2)cc1	217740529	HNTOGNRLIHITLG-FQEVSTJZSA-N	377.513	4.517	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1	2190459891	NSMDQEAQYYKENK-CJNGLKHVSA-N	399.242	4.726	70	10	GJIE	
CCN(C(=O)N[C@H](c1ccco1)c1ccccc1OC)[C@H](C)c1cccnc1	160780849	KXRQAKKETVWASM-IERDGZPVSA-N	379.460	4.565	70	10	GJIE	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCc1cc2ccccc2[nH]c1=O)C1CC1	161243616	BLSHCGUJLGHDKA-HNNXBMFYSA-N	394.902	4.866	70	10	GJIE	
CCCCc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1	217279466	GTRXXQGUIQWQBI-UHFFFAOYSA-N	393.487	4.925	70	10	GJIE	
CCC(C)=CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2338443489	WUHQSHKUNBVRGC-UHFFFAOYSA-N	388.110	4.765	70	10	GJIE	
CCSCC[C@H](C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1	160269913	YDLUSTNSQQOMEP-VIFPVBQESA-N	384.261	4.729	70	10	GJIE	
CN[C@@H](c1cc(Br)ccc1Br)[C@@H](C)c1ccccn1	160811191	ABNZBCSOVZGSQH-ZUZCIYMTSA-N	384.115	4.671	70	10	GJIE	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	159377039	UPXWNZAOZWBHQK-OAHLLOKOSA-N	388.430	4.749	70	10	GJIE	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(-c2ccccn2)c1	160162636	XEMLVTHFXQDABK-HNNXBMFYSA-N	381.426	4.929	70	10	GJIE	
C=C(Br)CCOc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl	2044982509	TVXYZZGRTKJTRK-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
CCc1cc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)oc1CC	159455841	LLNRGEFOJRTZLF-UHFFFAOYSA-N	376.884	4.791	70	10	GJIE	
CCN(Cc1ccccc1NC(=O)N[C@@H]1c2ccccc2CCC1(C)C)C(C)=O	159459030	LKNNAWDHWMFJRT-JOCHJYFZSA-N	393.531	4.890	70	10	GJIE	
COc1ccccc1-c1cccc(NC(=O)NCc2ccn(C3CCCC3)n2)c1	159635109	MQUUUJMKRQORHZ-UHFFFAOYSA-N	390.487	4.996	70	10	GJIE	
CC[C@@H](C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1	159946050	YJSVGAGDJPABRT-WVUPVLJSSA-N	380.507	4.631	70	10	GJIE	
O=C(c1cc(Br)ccc1Br)N1CCCc2ccccc21	160025900	CEHCSRASXORYME-UHFFFAOYSA-N	395.094	4.805	70	10	GJIE	
C[C@H](NC(=O)C(C)(C)c1cccs1)c1noc(-c2ccc(Cl)cc2)n1	160308712	QEXSMWZSBSKHJQ-NSHDSACASA-N	375.881	4.607	70	10	GJIE	
COc1ccc([C@H](C)NCc2csc(-c3ccccc3)n2)cc1NC(C)=O	161490165	UVFUXMFEEJGDEB-AWEZNQCLSA-N	381.501	4.628	70	10	GJIE	
CCc1cccc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280364	WZCWLRMGIVWVDF-UHFFFAOYSA-N	379.460	4.596	70	10	GJIE	
O=C(N/C=C/c1ccccc1Cl)NCCc1cccc(Br)c1	217831092	WZEVXGKTPPPBIS-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
C[C@@H]1CCC[C@H](NCc2cc(Br)c(O)c(Br)c2)[C@@H]1C	218378576	QTITUWRBQRWEEM-RULNRJAQSA-N	391.147	4.832	70	10	GJIE	
C[C@@H](Cc1c(Cl)ccc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)F	1952837922	DQWFXSRVYUQUQS-QMMMGPOBSA-N	386.272	4.571	70	10	GJIE	
CCCN(CCc1ccccn1)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	160905262	IVMLAJVIHYRBNS-UHFFFAOYSA-N	391.519	4.679	70	10	GJIE	
COc1cc(Cl)c([C@H](O)c2c(F)cccc2Br)cc1Cl	161168421	ZZOZFGJBGVCRDF-AWEZNQCLSA-N	380.040	4.985	70	10	GJIE	
CC(C)c1cc(Br)ccc1OCC[C@H](C)CCS(=O)(=O)Cl	163449068	OVOPSMCYERDJPY-LBPRGKRZSA-N	397.762	4.936	70	10	GJIE	
CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)CCCC2	217268190	UQZZOUSSQJLWEW-LJQANCHMSA-N	398.503	4.864	70	10	GJIE	
Cc1noc(CCCC(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1	159639926	ZWLQFLPYQFOIOA-URXFXBBRSA-N	389.499	4.678	70	10	GJIE	
C[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)[C@@H](c2ccco2)C1	159931012	DLTCGQHUSCSMIM-IEBWSBKVSA-N	394.475	4.560	70	10	GJIE	
Cc1c(Br)cccc1[C@@H](N)Cc1cc(Br)ccc1F	160348583	BIZZEBHARJIUNT-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CCCN[C@@H](Cc1ccccn1)c1cc(Br)ccc1Br	160805462	XMJBDBCMQMQZIF-INIZCTEOSA-N	398.142	4.890	70	10	GJIE	
CCOc1cc(NC(=O)NCc2ccc(Cl)cc2)cc(OCC)c1OCC	217274420	ZDGNJFPDOLOJJK-UHFFFAOYSA-N	392.883	4.858	70	10	GJIE	
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC[C@H](c2ccccc2)C1	217288474	FOOHQDJSUZDRBW-INIZCTEOSA-N	383.435	4.664	70	10	GJIE	
Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1	217289513	ROIJPSYYFQITKD-MRXNPFEDSA-N	381.900	4.746	70	10	GJIE	
CC(C)(C)c1cc(S(=O)(=O)Cl)ccc1OCCCOCc1ccccc1	389124799	OEWKLDGCKPCOOX-UHFFFAOYSA-N	396.936	4.897	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1cccc(OCc2ccccc2)c1	399111091	BYKDQMIFHNIIFQ-UHFFFAOYSA-N	382.909	4.773	70	10	GJIE	
C[C@H]1CCC[C@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191425112	AAWLRDVRAURTAU-IUCAKERBSA-N	385.682	4.576	70	10	GJIE	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161273280	JCDRLKKYYCQHSE-BEFAXECRSA-N	396.491	4.513	70	10	GJIE	
CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342575951	CARMODLBTYODQB-SCLBCKFNSA-N	393.279	4.546	70	10	GJIE	
CN[C@H](c1cc(Br)ccc1Br)[C@@H](C)c1ccccn1	160810926	ABNZBCSOVZGSQH-BONVTDFDSA-N	384.115	4.671	70	10	GJIE	
O=C(Nc1ccccc1Oc1ccccc1)c1cccc(S(=O)(=O)Cl)c1	1858162102	ZINQXGOSOFCDCO-UHFFFAOYSA-N	387.844	4.659	70	10	GJIE	
CCN(C(=O)NCCCc1nc(C(C)C)no1)[C@@H](C)c1cc2ccccc2o1	161194006	VCJIPWSRUANXRS-HNNXBMFYSA-N	384.480	4.665	70	10	GJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[SiH2]O[C@H]1CC=C[C@@H]1COCc1ccccc1	888086118	FSJRVBPZCFYJRB-FXILAVBZSA-N	388.624	4.641	70	10	GJIE	
Cc1c(Cl)cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1Br	2190459290	AIQRLNJPSCJBHF-JTQLQIEISA-N	383.424	4.865	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC	161228638	MPTIQZNPZUKXMK-APWZRJJASA-N	385.504	4.673	70	10	GJIE	
C[C@H]1[C@H](C)CCC[C@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	2201127851	FBKMNYVOKZIMGV-GBIKHYSHSA-N	381.719	4.580	70	10	GJIE	
C[C@@H](CC(=O)N1CC[C@@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368347734	GCSCPPLSHYQUGM-DZGCQCFKSA-N	399.242	4.977	70	10	GJIE	
CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1	159652988	YGMZIIGOMVAEOA-CYBMUJFWSA-N	382.382	4.957	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N1CCCC[C@H]1c1nccs1	160220769	QIPIZFKIUIVDLQ-IBGZPJMESA-N	378.501	4.642	70	10	GJIE	
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnc(C2CC2)s1	161359042	ZBPKGLNDNLCXTL-UHFFFAOYSA-N	397.466	4.888	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)N[C@@H](C)Oc1ccc(Cl)cc1	217294817	ZTBHRTKKCIUWKT-CQSZACIVSA-N	390.867	4.843	70	10	GJIE	
Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1	218664782	HLOYRPVUNIPOPZ-UHFFFAOYSA-N	398.431	4.938	70	10	GJIE	
O=C(CCc1cc2ccccc2[nH]c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1	160721170	LVMTWMACFZRCSJ-QHCPKHFHSA-N	392.474	4.648	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cccc1[C@H](CS(=O)(=O)Cl)C1CC1	1952684740	IUIIVDOGAZDBBI-GFCCVEGCSA-N	394.320	4.749	70	10	GJIE	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cc(-c3nnco3)ccc2C)o1	160191717	UBFLIQSWVXDVMJ-UGSOOPFHSA-N	380.448	4.952	70	10	GJIE	
COc1ccc([C@H](N)c2cc(Br)ccc2Br)c(C)c1	159805187	LNNSDTKKZXOEQQ-HNNXBMFYSA-N	385.099	4.577	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)c2)no1	160231380	XPJWQYVGSOLJLG-UHFFFAOYSA-N	398.422	4.550	70	10	GJIE	
CCOc1ccc(CCNC(=O)N/C=C/c2ccccc2Cl)cc1OCC	217819185	PAUVZLRFQCKLKT-WYMLVPIESA-N	388.895	4.650	70	10	GJIE	
CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br	59082723	FNASTYUHQFXXEH-JTQLQIEISA-N	396.734	4.532	70	10	GJIE	
CC(C)N(CCc1nccs1)CC(=O)Nc1ccccc1-c1ccccc1	159824783	HAOSKJARUHUNHA-UHFFFAOYSA-N	379.529	4.702	70	10	GJIE	
CCOc1cc(NC(=O)N2c3ccccc3C[C@@H]2C)cc(OCC)c1OCC	217275052	HPFYARNAXGEXCP-HNNXBMFYSA-N	384.476	4.866	70	10	GJIE	
CN[C@@H](Cc1cccc(Br)c1)c1c(F)cccc1Br	161045589	GZHKLQDAEOTVIK-AWEZNQCLSA-N	387.090	4.854	70	10	GJIE	
C[C@H](CS(=O)(=O)Cl)c1cc2ccccc2cc1NC(=O)OC(C)(C)C	1952617216	ASNLDXLEYKAFKA-GFCCVEGCSA-N	383.897	4.859	70	10	GJIE	
CC(=O)NCCCCCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21	159493010	CWZNSOANOCYASG-ILBGXUMGSA-N	392.543	4.661	70	10	GJIE	
C[C@@H](NCc1nc2cc(Br)ccc2[nH]1)c1cccc(OC(F)F)c1	161447370	ILFYWKIEIPXUAM-SNVBAGLBSA-N	396.235	4.778	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1NC(=O)C(F)(F)F	216778254	VTBVFWQKZGICCX-CYBMUJFWSA-N	394.393	4.717	70	10	GJIE	
CC1CCC(COc2ccc(S(=O)(=O)Cl)cc2Br)CC1	312597297	RTGVGXXIMMDJDF-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC=C1CCC1	2136918414	QLZOHJVJGDIQTB-UHFFFAOYSA-N	386.094	4.519	70	10	GJIE	
Cc1cc(Oc2ncc([B-](F)(F)F)cc2Br)cc(C)c1Cl	2172629658	AMZQSOHDBKDKJX-UHFFFAOYSA-N	379.392	4.961	70	10	GJIE	
C=C(C)CCCCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	2287378441	LBGNYQWELXGSAD-UHFFFAOYSA-N	381.719	4.810	70	10	GJIE	
CCC[C@H](CC)COc1c(C)cc(Br)cc1S(=O)(=O)Cl	2381650906	UQFHEHUKBMZZPS-NSHDSACASA-N	383.735	4.890	70	10	GJIE	
C[C@@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1nc(-c2ccccc2)cs1	159592693	LPQFZHLDFLZFKH-RHSMWYFYSA-N	399.541	4.716	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccccc1-n1cccn1	161254664	ZDBCLEHDKCMIPU-CQSZACIVSA-N	388.393	4.860	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cc(Cl)ccc2Br)cc1	708155488	NKSNNMAGEQEFQK-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
C[C@@H](c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)S(=O)(=O)Cl	1952630935	DUFJCNOMVSFGGR-ZETCQYMHSA-N	388.700	4.970	70	10	GJIE	
CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342575950	CARMODLBTYODQB-FZKQIMNGSA-N	393.279	4.546	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCc2ccccc2Br)c(C)c1	217314380	CTHYPIAJOJVFPJ-UHFFFAOYSA-N	390.325	4.925	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCCc2cccc(Br)c2)cc1	217495136	XOGAIEUCEMAQJY-UHFFFAOYSA-N	390.325	4.660	70	10	GJIE	
CCCn1ncc(Br)c1[C@@H](CSc1ccccc1Cl)NC	160750451	UOPCGFPAVFWDIR-CYBMUJFWSA-N	388.762	4.762	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cccc(C(F)(F)F)c1	217286283	ZLSKXDQULSZJKG-UHFFFAOYSA-N	379.363	4.947	70	10	GJIE	
Cc1c(C[B-](F)(F)F)cc(N=[N+]=[N-])cc1N1CCN(C(=O)OC(C)(C)C)CC1	1887561520	DHLXYKWOGKBODU-UHFFFAOYSA-N	398.218	4.923	70	10	GJIE	
CC[C@H](C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	1961709807	CSRKLOMYUAAUHY-LBPRGKRZSA-N	386.044	4.704	70	10	GJIE	
F[B-](F)(F)[C@H]1CCN(Cc2ccc(Br)cc2Br)C1	2303136147	OZUHZJAZCQIIPX-VIFPVBQESA-N	385.838	4.635	70	10	GJIE	
Cc1cc(Oc2ccc(S(=O)(=O)Cl)cc2Br)ccc1F	135344798	LKQDJAHYPRPFRW-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
COc1ccc(N(C)C(=O)c2ncoc2-c2ccccc2Cl)cc1Cl	160086940	KIINRVZJMUOGFO-UHFFFAOYSA-N	377.227	4.934	70	10	GJIE	
Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1Oc1ccncc1	160512548	SWAQXJFCXHTCTR-QGZVFWFLSA-N	376.456	4.591	70	10	GJIE	
N[C@@H](Cc1ccc(F)cc1Br)c1cccc(F)c1Br	161417043	INIGHVOYEDOEHG-ZDUSSCGKSA-N	391.053	4.732	70	10	GJIE	
F[B-](F)(F)c1cnc2c(N(Cc3ccccc3)Cc3cccs3)ccnc2c1	2172757787	GUPFBHBXLNEKLO-UHFFFAOYSA-N	398.242	4.953	70	10	GJIE	
CCCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1OCCC	161132376	IXQHRHBQIYHRPA-FUHWJXTLSA-N	392.540	4.582	70	10	GJIE	
O=C1CCCc2nc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)sc21	216737064	WHBZBJPGSKMTDU-UWVGGRQHSA-N	381.284	4.711	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)c1cccc(C(F)(F)F)c1	217292604	CXYQLLVGXAHUTI-UHFFFAOYSA-N	379.359	4.521	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C(C)C)cc1OCC/C=C/Br	2170702203	AEXAJLLATYGMRG-GQCTYLIASA-N	381.719	4.723	70	10	GJIE	
Cc1nc(-c2ccc(OCCc3ccccc3)cc2)sc1S(=O)(=O)Cl	103861267	XTLVKSUKBZLWGU-UHFFFAOYSA-N	393.917	4.668	70	10	GJIE	
COc1ccc(OC)c([C@H](C)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	161053631	MYCWUWUSMXSPNA-XSLAUPDRSA-N	380.532	4.550	70	10	GJIE	
CC1(C)CCC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	2163859316	BIQUTJLIMHCQFL-JTQLQIEISA-N	381.719	4.724	70	10	GJIE	
O=C(c1c(Cl)cccc1Br)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194131595	BWKFZFQKPPUALB-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)N1CC[C@@H]([B-](F)(F)F)C1	2319679869	KMTRBKBYFLQMSW-SNVBAGLBSA-N	391.606	4.751	70	10	GJIE	
Cc1cccc(N2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c1	217269949	OGWLAFRMWTWEKJ-UHFFFAOYSA-N	385.511	4.616	70	10	GJIE	
Cc1ccc(OCNC(=O)Nc2ccc(Br)cn2)c(C(C)(C)C)c1	217290286	QCCONXCWYGBMJC-UHFFFAOYSA-N	392.297	4.608	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCOc2ccc(Cl)cc2Cl)cc1	217297385	ZCKKTIVNDCOBCR-UHFFFAOYSA-N	382.291	4.998	70	10	GJIE	
CC[C@@H]1CCC[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	112694518	MRFOPPFOLBLEJK-PWSUYJOCSA-N	381.719	4.724	70	10	GJIE	
CCCN[C@H](CSc1ccccc1Br)c1c(Cl)cnn1C	160777304	RYQQDHUPKAHZFC-CYBMUJFWSA-N	388.762	4.669	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)N[C@H](C)c3ccc(Cl)s3)ccc21	160870559	CJMCTKUNWYCASB-LLVKDONJSA-N	377.897	4.583	70	10	GJIE	
CC[C@@H](C)[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	319974290	IUESDTCZNMHURU-SFYZADRCSA-N	390.126	4.843	70	10	GJIE	
O=C(Nc1cc(F)ccc1OC(F)F)c1cccc(OCc2cscn2)c1	159490220	STQWZJVSEDWVQT-UHFFFAOYSA-N	394.374	4.715	70	10	GJIE	
O[C@@H](c1cc(Br)ccc1Br)c1cccc2c1OCCC2	159750971	ZZMDGGNQJYTTDQ-OAHLLOKOSA-N	398.094	4.618	70	10	GJIE	
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1	160191241	UBYPKWBTWNYXKF-HNNXBMFYSA-N	393.874	4.560	70	10	GJIE	
Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H](c2ccc(F)cc2)C1	217289511	ROIJPSYYFQITKD-INIZCTEOSA-N	381.900	4.746	70	10	GJIE	
O=C(NCOc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1	217296858	VZOBZEAFUIJJNL-UHFFFAOYSA-N	390.064	4.914	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCC[C@H]1CC1(C)C	1921421682	XVCMCMLRDPUZTA-JTQLQIEISA-N	381.719	4.500	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)[C@@H](C)C(C)C	2365872128	CKSAGLDYBTVRMD-QWRGUYRKSA-N	383.735	4.744	70	10	GJIE	
Cc1cc(Br)cc([C@@H](N)Cc2ccc(F)cc2Br)c1	161366981	ZMNJDEAMDIQQIY-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
Cc1cccc(N2CCN(C(=O)N[C@H](C)Oc3ccc(C(C)C)cc3)CC2)c1C	217296536	ZSKIEZPLFCPBAA-FQEVSTJZSA-N	395.547	4.683	70	10	GJIE	
Cc1cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2342481373	HWOKVIFTBVONKV-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
Cc1ccc(OCC2(CS(=O)(=O)Cl)CCCCC2)c(Br)c1	115565436	VBZHPJFQIYMFCA-UHFFFAOYSA-N	395.746	4.655	70	10	GJIE	
CCOc1ccc2nc(Sc3ncc(Cl)cc3Br)[nH]c2c1	159958256	SHZIYGSEBYAFGC-UHFFFAOYSA-N	384.686	4.924	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)c1cc(Cl)cc(Cl)c1	217292612	MPGXJPRTVNSZRV-UHFFFAOYSA-N	380.252	4.809	70	10	GJIE	
CC(C)=C(C)CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	718644937	ITDIFWSTLWQDSJ-UHFFFAOYSA-N	381.719	4.810	70	10	GJIE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	1981465833	RMHJARBXCRNIDY-LBPRGKRZSA-N	398.055	4.704	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c2ccccn2)c1	159981073	RYDUNQQYWAQAFW-HYVJGQCMSA-N	399.494	4.504	70	10	GJIE	
CC[C@@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nccs1	160996120	OMLWFHDYWJMZTL-CQSZACIVSA-N	395.410	4.620	70	10	GJIE	
c1ccc(COc2cccc([C@@H]3NN=C4CCN(Cc5ccccc5)C[C@H]43)c2)cc1	217076624	KOHIJXDGVZKCAQ-RSXGOPAZSA-N	397.522	4.788	70	10	GJIE	
CCOc1ccccc1OCNC(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2	217289551	WMMBCUGAKRSHCG-FQEVSTJZSA-N	382.504	4.751	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1	217554213	DUVYCQGOHCEHME-UHFFFAOYSA-N	390.325	4.660	70	10	GJIE	
F[B-](F)(F)c1ccc2nc(N(Cc3ccccc3)C[C@H]3CCCO3)sc2c1	2279021175	VGQBJRWDPCCZFG-MRXNPFEDSA-N	391.247	4.536	70	10	GJIE	
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1	160541040	KURCIKGWNSYWGH-OAQYLSRUSA-N	396.535	4.865	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1	160806400	VDHKPXRWUJZDRR-HZPDHXFCSA-N	382.895	4.512	70	10	GJIE	
Cc1cc(-c2noc([C@@H](C)N[C@H](C)c3ccccc3-n3cccn3)n2)ccc1F	160862711	ZKFYNQSUNQWNNH-HZPDHXFCSA-N	391.450	4.782	70	10	GJIE	
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1NC(=O)C(F)(F)F	216775897	HYQJFEJMLAPNDR-UHFFFAOYSA-N	380.410	4.732	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1	2342481976	UTKJDLXSHJNSQI-SFHVURJKSA-N	385.215	4.512	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1	2368346672	VIMTWXACUZANHJ-BFUOFWGJSA-N	399.242	4.726	70	10	GJIE	
O=C(C=Cc1ccco1)C=P(c1ccccc1)(c1ccccc1)c1ccccc1	2040464455	OKCXQYHUUSZDIP-UHFFFAOYSA-N	396.426	4.658	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CCC[C@@H]1C	2149832646	MLFIDQAMIHKTQO-GXSJLCMTSA-N	381.719	4.500	70	10	GJIE	
C[C@H]1C[C@@H]1CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191432563	PIGXUXXKPNBHCT-IUCAKERBSA-N	385.682	4.576	70	10	GJIE	
Cc1nc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(C2CC2)n1	160245835	XGHHIESGTVINCV-UHFFFAOYSA-N	384.892	4.621	70	10	GJIE	
CC(C)c1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280278	QCTUUBOOHYKQOI-UHFFFAOYSA-N	379.460	4.849	70	10	GJIE	
COc1cc(Cl)c(C)cc1NC(=O)NCCCOc1c(C)cccc1C	217298324	SLTRBAWVIKCEST-UHFFFAOYSA-N	376.884	4.864	70	10	GJIE	
O=C(COc1cccc(Cl)c1)Nc1ccccc1-c1cn2ccsc2n1	218548022	SDYHNCOVIHAIAO-UHFFFAOYSA-N	383.860	4.734	70	10	GJIE	
Cc1cccc([C@H]2CCCN2Cc2nnc(-c3ccccc3Br)o2)n1	160206194	FQPHQRFXOZPZSL-QGZVFWFLSA-N	399.292	4.540	70	10	GJIE	
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(-c3ccccn3)c2)s1	160271820	PYXBXOZIZUDQME-MRXNPFEDSA-N	394.544	4.979	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2cccc(Br)c2)cc1	217266268	VDGXKBVLWPQKHL-UHFFFAOYSA-N	379.210	4.628	70	10	GJIE	
COc1ccccc1-c1cc(C(=O)N2CCCC[C@H](c3ccccc3)C2)n(C)n1	217288025	HKDLZOXFSDHIBB-IBGZPJMESA-N	389.499	4.506	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OC[C@@H](C)COCc1ccccc1	719539179	BIZUGOKENCFNQH-AWEZNQCLSA-N	396.936	4.771	70	10	GJIE	
O=c1ccc2c([nH]1)CCC[C@@H]2Nc1c(Cl)cc(Br)cc1Cl	160968112	LTGAEWULUWELFV-ZDUSSCGKSA-N	388.092	4.934	70	10	GJIE	
Cc1cc(C)cc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	109526795	SCQCVHFRHNMXQO-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	160012401	VSMNCELOYNYORX-UTKZUKDTSA-N	394.515	4.801	70	10	GJIE	
COc1cc(C)cc(CNC(=O)Nc2cccc(COCc3ccco3)c2)c1	160991633	DZHALAPXEHGMLC-UHFFFAOYSA-N	380.444	4.635	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC	217308393	MCIBUSBDJAZSSH-UHFFFAOYSA-N	376.884	4.728	70	10	GJIE	
Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(Br)c2)n1	159596116	WJBOJIPUTIVPML-KSSFIOAISA-N	388.309	4.760	70	10	GJIE	
CCCOc1ccc([C@@H](C)NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1OCCC	161132253	IXQHRHBQIYHRPA-SJLPKXTDSA-N	392.540	4.582	70	10	GJIE	
CCOc1ccc(NC(=O)NCCCOc2c(C)cccc2C)cc1OCC	217298186	QKHZLENVSXAEIF-UHFFFAOYSA-N	386.492	4.691	70	10	GJIE	
CC[C@@H]1CCCC[C@@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	111779787	AMUXFNNXJSYLEX-MFKMUULPSA-N	381.719	4.724	70	10	GJIE	
Cc1c(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cccc1N1CCOC1=O	161462669	DDJODEWZFPISAI-KDOFPFPSSA-N	383.448	4.550	70	10	GJIE	
CC(C)c1csc([C@H]2CCCN(CC3CCN(C(=O)C(C)(C)C)CC3)C2)n1	159815316	ZMVVQOFBICWMKH-SFHVURJKSA-N	391.625	4.731	70	10	GJIE	
CCCN[C@H](CSc1cccc(Br)c1)c1c(Cl)cnn1C	160785415	WFNJDYHQKSTEDC-CQSZACIVSA-N	388.762	4.669	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1	217293397	VPRSMEGTNQHGMU-UHFFFAOYSA-N	395.427	4.989	70	10	GJIE	
O=C1O[C@]2(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C2)c2ccccc21	217584258	KWCXMHPREWYIBH-QHCPKHFHSA-N	389.476	4.717	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)Nc1ccsc1-c1nc(C2CC2)no1	217286746	WKGLSEQSNVUYCU-UHFFFAOYSA-N	390.852	4.982	70	10	GJIE	
O=C(NCCOc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217303657	RFYLEZYSUZIWOZ-UHFFFAOYSA-N	392.299	4.925	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccccc2Br)cc1Cl	1912229802	IYMRIYUGRAXAEQ-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
COc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c(OC)c1OC	159383722	YQJVELKJMZGFKN-CZUORRHYSA-N	388.464	4.619	70	10	GJIE	
COc1ccc(Sc2ccc(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2)cc1	159525872	GYHZBUFTEKNQBY-CQSZACIVSA-N	396.516	4.631	70	10	GJIE	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C1CCC(F)(F)CC1	160779529	LLPUKFNRGQCKTE-HNNXBMFYSA-N	378.463	4.774	70	10	GJIE	
O[C@H](c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Br	161039646	FCWUNIPVYFJBNV-MRXNPFEDSA-N	398.094	4.618	70	10	GJIE	
O=C(NC[C@@H]1CCCN1c1nccs1)c1ccc(-c2cccc(Cl)c2)cc1	217740934	CXVQKCDSGBSSIN-IBGZPJMESA-N	397.931	4.862	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCCCOc1ccccc1Cl	217299929	KVUBVIKMAATFTM-MRXNPFEDSA-N	390.911	4.876	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C	159598380	SJCDJEKUDWKTHB-LIRRHRJNSA-N	375.513	4.568	70	10	GJIE	
CO[C@@H](C)c1cccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)c1	159896291	CTFQYNOSVUSKJM-AWEZNQCLSA-N	396.409	4.795	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N1CCCCC[C@H]1c1ccncc1	160161607	XCPHEUMKNYVSMC-QHCPKHFHSA-N	386.499	4.971	70	10	GJIE	
O=C(N/C=C/c1ccccc1Cl)NCCc1ccccc1Br	217830559	IUEMRFPRLHNSDT-ZRDIBKRKSA-N	379.685	4.615	70	10	GJIE	
CC(C)(C)c1cc(S(=O)(=O)Cl)ccc1OCCOCc1ccccc1	304528174	BCQBEEHXVKXCJS-UHFFFAOYSA-N	382.909	4.507	70	10	GJIE	
COCc1nc(-c2ccc(Br)s2)sc1CNC(C)(C)C	159385766	LXZJVOZEGGVRNQ-UHFFFAOYSA-N	375.357	4.669	70	10	GJIE	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H]1CC[C@H](C)c2ccccc21	159969122	UOAVXHCTFOOPBT-XOBRGWDASA-N	377.488	4.647	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)cc1	217266222	MTEDXTQQLHYBLD-UHFFFAOYSA-N	383.448	4.856	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cccc(Br)c2)cc1Cl	1927653054	RBTIWACUZIDJTI-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CC[C@@H](C)C1	2197493782	HZXHBFZWYCAWTK-SKDRFNHKSA-N	381.719	4.506	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)cc(C)c1OCc1ccccc1Br	59061568	XAJSALNWLOTFJF-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)o1	160907441	HZXVEXBOZKJVMS-VCOUNFBDSA-N	382.504	4.999	70	10	GJIE	
Cc1cc(O[C@@H](c2ccc(Br)cc2)[C@H](C)N)ccc1Br	161486044	DMEMPNJWWFSGJW-MEDUHNTESA-N	399.126	4.987	70	10	GJIE	
CCCCCOc1ccc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1	217083717	KXOPTQZMFVUXOI-VWNXMTODSA-N	377.532	4.778	70	10	GJIE	
C[C@H]1CCC[C@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2118894493	VEDCMANZCCDEQT-OIBJUYFYSA-N	388.110	4.597	70	10	GJIE	
C[C@H](C(=O)N1CCC[C@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2190465245	RJZDCXKGJPWASO-ZFWWWQNUSA-N	399.242	4.977	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161268259	DJRHERVZEYECSM-IBGZPJMESA-N	396.491	4.521	70	10	GJIE	
Cc1cc(Br)ccc1[C@@H](N)Cc1ccc(F)cc1Br	161345489	DBKCHNANQQZIFS-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br	211866587	JSPVPDDJOQSAJR-UHFFFAOYSA-N	396.734	4.532	70	10	GJIE	
O=C(NCOc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	217305576	QUQHPYAQIHIKKU-UHFFFAOYSA-N	378.272	4.882	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)c(F)c1	2231056178	ZVPCYBLTFRJQBA-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1=CCCCC1	2281249256	INEXRMDCDOLBPL-UHFFFAOYSA-N	379.703	4.564	70	10	GJIE	
CC(C)c1ccc([C@H]2CCCCN2C(=O)Cn2ccc(=O)c3ccccc32)cc1	160413082	WIHNELIVRFPHGJ-JOCHJYFZSA-N	388.511	4.879	70	10	GJIE	
Cc1ccc(C(=O)N(C)Cc2ccccc2Br)c(Br)c1	161063133	AGOLMOITPHVZLX-UHFFFAOYSA-N	397.110	4.792	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194128052	MXHMQQZMAMCBAJ-ORAYPTAESA-N	397.226	4.796	70	10	GJIE	
CC(C)(C)NCc1ncoc1-c1cc(Br)ccc1Br	161331418	PQWNIJACRXAFCU-UHFFFAOYSA-N	388.103	4.755	70	10	GJIE	
COc1cccc(-c2ccc(CNC(=O)c3ccccc3-c3nnc(C)o3)cc2)c1	161464259	QNCCMPQUDXLXEJ-UHFFFAOYSA-N	399.450	4.651	70	10	GJIE	
COc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)c2ccccc2)s1	217294158	AAXODRTYTFVIMP-UHFFFAOYSA-N	385.872	4.571	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)N/C=C/c1ccccc1Br	217837556	PYBKBEQXICHOQK-CMDGGOBGSA-N	381.657	4.904	70	10	GJIE	
CC(C)[C@H](CCCC(=O)N1CC[C@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342484299	BDRMGSISSMTOLH-KSSFIOAISA-N	393.279	4.546	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2cc(OC)c(OC)cc2F)o1	159882525	NDYXUKJAFJMRPK-MRXNPFEDSA-N	376.428	4.757	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br	160442163	MUVKEKSGOHDVMO-KBPBESRZSA-N	391.309	4.526	70	10	GJIE	
COc1cc(C)c(Br)cc1[C@H](N)c1ccc(C)cc1Br	161043230	WVHAJDWCJDRRTI-MRXNPFEDSA-N	399.126	4.885	70	10	GJIE	
CC[C@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)c1nccs1	161154530	OMRBUTDIXMFOAL-PXNSSMCTSA-N	395.528	4.881	70	10	GJIE	
C=C(Br)COc1cc(C)c(S(=O)(=O)Cl)cc1C(C)(C)C	215666032	YINQBDKYJCGMPG-UHFFFAOYSA-N	381.719	4.507	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc([C@H](CS(=O)(=O)Cl)C2CC2)c(Cl)c1	1952683248	UGGRMUMHRRAYEV-CYBMUJFWSA-N	394.320	4.749	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC(C)(C)C	2197483509	ZPYMWIJNDANHOG-UHFFFAOYSA-N	383.735	4.754	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CC1CCOCC1	159494937	ATTXQOHQWLKQEG-UHFFFAOYSA-N	396.491	4.529	70	10	GJIE	
Cc1nc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc(C2CC2)n1	159925639	UQKXKYJISGDTAB-UHFFFAOYSA-N	394.475	4.741	70	10	GJIE	
C[C@H](COc1c(Cl)cc(Br)cc1S(=O)(=O)F)C1CCC1	2191424931	YJOVWPNMRHPPTE-MRVPVSSYSA-N	385.682	4.576	70	10	GJIE	
Cc1sc(Br)c(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1C	2194133981	SYWXAWAPBGVBGI-NOZJJQNGSA-N	381.046	4.581	70	10	GJIE	
COc1ccc([C@H](O)c2cc(Br)ccc2Br)cc1C	161036257	RIVJIJSDDGUGDP-HNNXBMFYSA-N	386.083	4.610	70	10	GJIE	
CCOc1ccc([C@@H](N)c2ccc(C)cc2Br)c(Br)c1	161047102	PHIYFDKEAHHDLW-INIZCTEOSA-N	399.126	4.967	70	10	GJIE	
O=C(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)C1CCOCC1	217291373	SEMHNIUXGPYRRY-UHFFFAOYSA-N	383.435	4.631	70	10	GJIE	
F[B-](F)(F)[C@H]1CCN(Cc2c(Br)cccc2Br)C1	2303097171	MJNDZZPPDIFDKR-QMMMGPOBSA-N	385.838	4.635	70	10	GJIE	
CCOC1(C(=O)Cc2ccc(I)cc2)CCCCCC1	161354439	GUAVLUBPCRWDNF-UHFFFAOYSA-N	386.273	4.532	70	10	GJIE	
Cc1ccc(C(=O)CCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1	217281815	COYWHQXKDKRDDN-UHFFFAOYSA-N	386.495	4.980	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCCCCCC2CC2)c(Br)c1	2145291195	DVCZJYZVZOHFRS-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](c2cccs2)C1	161471140	GNTRJYUZWXNOER-BZUAXINKSA-N	382.312	4.759	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(Br)cc1	217286257	QXJWAYUPDLPOOT-UHFFFAOYSA-N	390.262	4.690	70	10	GJIE	
O=C(N/C=C/c1ccccc1Br)NCCc1ccc(Cl)cc1	217874800	HRPOVMSFTYNPSF-ZRDIBKRKSA-N	379.685	4.615	70	10	GJIE	
CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160876290	LPMXLKSFETWMIZ-QRWLVFNGSA-N	397.519	4.857	70	10	GJIE	
CCOc1ccccc1OCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F	217289800	FBBCVZNVZDULEJ-UHFFFAOYSA-N	388.773	4.916	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(C)(C)CS(=O)(=O)Cl)c(Cl)c1	1952624899	DFSMGKXKKDJDTB-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1	2133915818	LDJBCLJAYBCQFH-GFCCVEGCSA-N	389.178	4.626	70	10	GJIE	
COc1ccc([C@H](N)c2cc(Br)ccc2Br)cc1C	159813737	XFJMSZPQLYWSMI-HNNXBMFYSA-N	385.099	4.577	70	10	GJIE	
CN(Cc1nc2ccccc2s1)C(=O)NCc1cccc(-c2ccccn2)c1	160243252	YFEYXDXNVBLCRI-UHFFFAOYSA-N	388.496	4.700	70	10	GJIE	
Cc1cc(OCNC(=O)NCc2ccc(Br)cc2)cc(C)c1Cl	217290848	JWRCDYGSXXQNKQ-UHFFFAOYSA-N	397.700	4.555	70	10	GJIE	
CCOc1ccc(OCNC(=O)N(Cc2ccccc2)c2ccccc2)cc1	217307550	ZMQWJXKDCKURGG-UHFFFAOYSA-N	376.456	4.838	70	10	GJIE	
Cc1ccc(Br)c(Oc2ccc(S(=O)(=O)Cl)c(C)c2)c1	699756484	UYYYBBUYWYQRQY-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
C[C@H]1C[C@@H]1CCCCOc1ccc(Br)cc1S(=O)(=O)Cl	2280430751	DXIFJDXMIYPKNN-QWRGUYRKSA-N	381.719	4.582	70	10	GJIE	
CN[C@H](c1cc(Br)ccc1Br)[C@H](C)c1ccncc1	160808097	KKUZQQDOICBZDX-BMIGLBTASA-N	384.115	4.671	70	10	GJIE	
CCCc1ccc(OCNC(=O)Nc2ccc(Br)c(C)c2)cc1	217294226	VWVWESPQQHZERU-UHFFFAOYSA-N	377.282	4.868	70	10	GJIE	
COc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1C	218767181	YLZPEIWJAOHVKS-UHFFFAOYSA-N	399.082	4.781	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133913782	CTEIFPIMEWKQTM-CYBMUJFWSA-N	385.215	4.796	70	10	GJIE	
CC(C)C1(COc2ccc(Br)cc2S(=O)(=O)Cl)CCC1	2191974165	MKNOBCUSNLOGFH-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
C(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=Nc1ccccc1	137957940	JTIVZAHHRRRSRM-UHFFFAOYSA-N	377.427	4.939	70	10	GJIE	
CCCN[C@H](CSc1ccc(Br)cc1)c1c(Cl)cnn1C	160695597	MVPYXRVJQJYTHD-CQSZACIVSA-N	388.762	4.669	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cccc(Br)c2Cl)cc1	2166786770	PJKJUKUVKIIDOV-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
C[C@@H](C(=O)N1CC[C@@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2342479151	DNBOPDVYDHCJAW-TZMCWYRMSA-N	385.215	4.587	70	10	GJIE	
CCN(Cc1ccccc1NC(=O)N[C@H]1c2ccccc2CCC1(C)C)C(C)=O	159459173	LKNNAWDHWMFJRT-QFIPXVFZSA-N	393.531	4.890	70	10	GJIE	
CC[C@@H](NC(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1)c1nccs1	159877604	LKFZXONCARRITH-SJLPKXTDSA-N	386.565	4.557	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)Nc1ccc(N2CCCCC2)cc1	217298249	UAQBIJHDRIRSEV-UHFFFAOYSA-N	381.520	4.884	70	10	GJIE	
C[C@@H]1CC[C@@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@H]1C	251913194	UDPUUGDEGNBOOV-CKYFFXLPSA-N	381.719	4.580	70	10	GJIE	
CCCCCCC(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1Br	159476341	KHNMPWXUPGDMHN-UHFFFAOYSA-N	396.734	4.594	70	10	GJIE	
CCC[C@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1F	160616169	YVUNFMMXIXHNFP-NRFANRHFSA-N	398.457	4.550	70	10	GJIE	
CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1	161397916	YJXHTPRTQGYRDX-WCQYABFASA-N	397.466	4.523	70	10	GJIE	
COc1ccc([C@@H](C)NCc2nc(-c3c(F)cccc3F)cs2)cc1OC	161498821	ZWFSNISIMCIYII-GFCCVEGCSA-N	390.455	4.956	70	10	GJIE	
C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342474218	KDPAFHZULDPWKJ-PMUMKWKESA-N	393.279	4.546	70	10	GJIE	
N[C@@H](Cc1nc2ccccc2o1)c1cc(Br)ccc1Br	160800729	KIKVIBJTVOGDMW-LBPRGKRZSA-N	396.082	4.595	70	10	GJIE	
CC1(C)C[C@@H]1CCCOc1ccc(S(=O)(=O)Cl)cc1Br	2144400570	QWHJGOJWCDNTDO-JTQLQIEISA-N	381.719	4.582	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161456224	ZENZTXCSZZXEQI-LJQANCHMSA-N	397.475	4.866	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CC[C@@H](C)C1	2157874852	BJRSJYFNEKJTKV-KOLCDFICSA-N	381.719	4.500	70	10	GJIE	
Brc1ccc2[nH]c(CN[C@H](c3ccccc3)c3nccs3)nc2c1	160415726	VXZWJXBPAKXCCF-QGZVFWFLSA-N	399.317	4.661	70	10	GJIE	
CCN[C@@H](c1ccc(Br)cc1)c1ccc(Br)cc1OC	160632671	JPKIQFGTEPMKGD-INIZCTEOSA-N	399.126	4.919	70	10	GJIE	
Cc1cc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccccc2-n2cccn2)c(Cl)c1	160855220	RXBKRNCVKFRIFN-SJORKVTESA-N	396.922	4.820	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)N(CCc1cccs1)C1CCOCC1	217291642	RNKBJYBBIMBFDR-UHFFFAOYSA-N	394.924	4.666	70	10	GJIE	
CCC[C@H](COc1ccc(OCc2ccccc2)cc1)CS(=O)(=O)Cl	303112021	ZLPPPWLMPUNCGT-QGZVFWFLSA-N	382.909	4.629	70	10	GJIE	
C[C@H](CCOc1cccc(OCc2ccccc2)c1)CCS(=O)(=O)Cl	399197870	YLRRPEMADMIQGA-MRXNPFEDSA-N	382.909	4.629	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)ccc(Cl)c1C(C)(C)S(=O)(=O)F	1952844490	HTRULEVUDSXUGW-UHFFFAOYSA-N	386.272	4.875	70	10	GJIE	
CCC(CC)CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2363470138	HYCREKLATQRKHT-UHFFFAOYSA-N	387.698	4.966	70	10	GJIE	
O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161003730	HQGLABRQBRSDPL-UKRRQHHQSA-N	386.829	4.788	70	10	GJIE	
O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc2cc(Cl)ccc2o1	161259456	WMAKXFWLUYHDIX-UHFFFAOYSA-N	399.874	4.712	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N[C@H](C)c2cc(C)ccc2OCC)cc1	217265959	YZWDMLQMNWKCOF-OAHLLOKOSA-N	386.448	4.812	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)NC(=O)Nc2ccc(Br)cn2)cc1	217296791	BBOGLVPQDZXKIR-GFCCVEGCSA-N	378.270	4.514	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@H](CS(=O)(=O)Cl)C1CC1	1952683913	BNGSWDJBBLHNAN-LLVKDONJSA-N	394.320	4.749	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)cc(C(C)(C)S(=O)(=O)F)c1	1952846635	FLRSEDUDDAZWQC-UHFFFAOYSA-N	385.379	4.587	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342473044	VUYJZQUBZAHABM-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2342479240	FDUVVWLVIRRJOM-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
CC(=O)NCCCCCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21	159492863	CWZNSOANOCYASG-NOZRDPDXSA-N	392.543	4.661	70	10	GJIE	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	160640380	HCMMBKIYOSRGDF-KBXCAEBGSA-N	383.492	4.531	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@H](C)c2cc(Cl)ccc2OC)cc1OC	161239180	GWESOKARWLXUOY-LSDHHAIUSA-N	393.911	4.794	70	10	GJIE	
CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133913868	QNMZROXCCZZUTN-HUUCEWRRSA-N	393.279	4.548	70	10	GJIE	
C/C(=C\Br)COc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl	2219385344	SNNRHSAIBGOTJK-GQCTYLIASA-N	394.501	4.598	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1ccc(Br)c(Cl)c1	313511965	SIMSVPJJKLJGEL-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
C[C@H](c1c(Cl)ccc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952644382	HGIOHZGPAPVHAF-SSDOTTSWSA-N	388.700	4.970	70	10	GJIE	
Brc1ccc([C@H](Cc2ccccn2)N[C@@H]2CCCSC2)cc1	159565209	DSUZTIGMMOLBQD-MSOLQXFVSA-N	377.351	4.613	70	10	GJIE	
COc1c(C)cc([C@@H](N)c2cc(Br)ccc2Br)cc1C	159902929	YGJPUSMQJXKJCW-OAHLLOKOSA-N	399.126	4.885	70	10	GJIE	
C[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)[C@H](c2ccco2)C1	159930773	DLTCGQHUSCSMIM-MJGOQNOKSA-N	394.475	4.560	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@H]2CCc3cc(Cl)ccc32)cc1OC	161240636	QEHKYYFOTIUUBB-LIRRHRJNSA-N	375.896	4.712	70	10	GJIE	
Cc1ccc([C@H](O)[C@@H](CN)c2ccc(Cl)cc2Cl)c(Br)c1	161504627	JGBCGGGLNDFFCP-BBRMVZONSA-N	389.120	4.840	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)n1	161196587	DBTWAVBKUNWEHC-UHFFFAOYSA-N	390.487	4.726	70	10	GJIE	
Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1	161457088	NHLVZZLFHXFZAG-RDTXWAMCSA-N	383.448	4.550	70	10	GJIE	
C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)S(=O)(=O)Cl	1952645870	MAQJVIOJEUFMTO-MRVPVSSYSA-N	387.807	4.682	70	10	GJIE	
CC(C)[C@H](C)[C@H](C)Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	2365690991	QAWIGHXOJUKDEY-IUCAKERBSA-N	387.698	4.575	70	10	GJIE	
Cc1nnc(-c2cccc(C(=O)N[C@@H](C)c3ccc(OCC(C)C)cc3)c2)o1	159781038	DMYQPFIDHQJCCJ-HNNXBMFYSA-N	379.460	4.571	70	10	GJIE	
O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1	160346834	MBFASYFWCKLWRL-YSVLISHTSA-N	382.410	4.616	70	10	GJIE	
CC[C@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1ccccc1OC(F)F	160371297	PSLCSEGOCUITKC-DOTOQJQBSA-N	396.459	4.584	70	10	GJIE	
Cc1ccc(Br)c([C@@H](N)Cc2ccc(F)cc2Br)c1	161433292	KZUKXQDXHITIDS-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CC(C)c1ccc(OCC(=O)N(CCc2cccs2)C2CCOCC2)cc1	217291411	OJSMLMQJIPPFHU-UHFFFAOYSA-N	387.545	4.501	70	10	GJIE	
Cc1ccc(NC(=O)N[C@H](C)Oc2ccc(Cl)cc2)c(Br)c1	217295251	PEIBJRVKSVHYGW-NSHDSACASA-N	383.673	4.957	70	10	GJIE	
CCCN[C@@H](CSc1ccccc1Br)c1c(Cl)cnn1C	160777196	RYQQDHUPKAHZFC-ZDUSSCGKSA-N	388.762	4.669	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCC/C=C/Br)cc1Cl	2051139908	KSRCGUKZFFIQKP-HNQUOIGGSA-N	394.501	4.598	70	10	GJIE	
CCN(C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C)[C@H](C)c1cccnc1	160813588	GFGNAPVGBBTOPL-QGZVFWFLSA-N	377.492	4.808	70	10	GJIE	
O=C(CCc1cccc(OC2CCCC2)c1)N1CCO[C@H](c2cccs2)C1	161338163	CIAHORCTJWYXHU-FQEVSTJZSA-N	385.529	4.602	70	10	GJIE	
Cc1cc(Oc2cccc(F)c2Br)ccc1S(=O)(=O)Cl	694745772	KXOVIQMLYHAAKM-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
CC(C)=C(Br)COc1c(C)cc(S(=O)(=O)Cl)c(C)c1C	2365688433	HHLLMYATOUMCQI-UHFFFAOYSA-N	381.719	4.607	70	10	GJIE	
CC[C@H](NC(=O)C[C@@H](C)c1ccc(Br)cc1)c1c(C)noc1C	160424904	NSFBYMYYMGRHAL-BZNIZROVSA-N	379.298	4.815	70	10	GJIE	
CC[C@@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1ccccc1OC(F)F	160371421	PSLCSEGOCUITKC-NVXWUHKLSA-N	396.459	4.584	70	10	GJIE	
CC(C)c1noc2ncc(C(=O)Nc3cc(F)c(Br)cc3F)cc12	160811626	XIELCUQNOVZZBO-UHFFFAOYSA-N	396.191	4.639	70	10	GJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccccc1I	161183477	XNIDIUWENJXKGZ-INIZCTEOSA-N	385.314	4.808	70	10	GJIE	
CC1(C)C[C@H]1CCCOc1ccc(S(=O)(=O)Cl)cc1Br	2144400571	QWHJGOJWCDNTDO-SNVBAGLBSA-N	381.719	4.582	70	10	GJIE	
CC(C)COc1ccc([C@@H](C)NC(=O)CCc2nnc(-c3ccsc3)o2)cc1	159528200	ZLIDZAGRRHJUEM-OAHLLOKOSA-N	399.516	4.643	70	10	GJIE	
CC(C)CCOc1ccc([C@H](C)NC(=O)Nc2ccn(CC(F)(F)F)n2)cc1	160366448	SUKKQCMCGCYSQB-AWEZNQCLSA-N	398.429	4.753	70	10	GJIE	
C[C@H](COCc1ccccc1)COc1ccc(S(=O)(=O)F)c2ccccc12	2191434435	KGFAPOPKTWKVMK-MRXNPFEDSA-N	388.460	4.730	70	10	GJIE	
CC(C)(C)C[C@@H](CC(=O)N1CC[C@@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342473332	HEGFQJAMKXGTQQ-FZKQIMNGSA-N	393.279	4.546	70	10	GJIE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1	2239523639	SKZPONVACVFXTI-ZDUSSCGKSA-N	399.242	4.726	70	10	GJIE	
O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1	160911752	OPKWDNYNXRGKSR-WZONZLPQSA-N	398.478	4.564	70	10	GJIE	
CCCOc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)cc1OCCC	161444772	IAGMWXRGHGUXTM-IBGZPJMESA-N	389.517	4.539	70	10	GJIE	
Cc1ccc([C@@H](O)[C@H](CN)c2ccc(Cl)cc2Cl)c(Br)c1	161504972	JGBCGGGLNDFFCP-CZUORRHYSA-N	389.120	4.840	70	10	GJIE	
C/C=C/CCCOc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2197462112	UBSNNTFIPSLZJE-HWKANZROSA-N	381.719	4.674	70	10	GJIE	
F[B-](F)(F)[C@H]1CCN(Cc2cccc(Br)c2Br)C1	2303136404	SSXNHIAKMUMVFJ-VIFPVBQESA-N	385.838	4.635	70	10	GJIE	
CC[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1F	160906894	BXHYIPWWRPLYFK-JOCHJYFZSA-N	375.459	4.901	70	10	GJIE	
CO[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl	218322906	DSFKUTHCLWEZIE-INIZCTEOSA-N	388.678	4.530	70	10	GJIE	
CC(C)[C@@H](CCCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2227046173	SUOJWNLESVOFTL-HUUCEWRRSA-N	393.279	4.546	70	10	GJIE	
CC(C)(C)OC(=O)N[C@@H](CBr)Cc1cccc(C(F)(F)F)c1	149021635	OOWFHGXYBOVZBS-GFCCVEGCSA-N	382.220	4.536	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(OC)c(OC)cc2F)o1	159882398	NDYXUKJAFJMRPK-INIZCTEOSA-N	376.428	4.757	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1csc(-c2ccccc2Cl)n1	160493238	DSWGEYDZKPWGIX-CYBMUJFWSA-N	386.904	4.872	70	10	GJIE	
CC[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2	217307993	HFBBNPDQMOCQDO-NRFANRHFSA-N	396.531	4.576	70	10	GJIE	
CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133913609	PHTYQQSCWHDDAH-CQSZACIVSA-N	393.279	4.548	70	10	GJIE	
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C/C=C/c1ccc(C(C)C)cc1	160201600	AKHFRGKCYDNHAD-BQYQJAHWSA-N	394.515	4.953	70	10	GJIE	
COc1ccc(CNC(=O)N(Cc2ccccc2)c2ccccc2)cc1OC	217313446	TZYCEDMOWBLGPQ-UHFFFAOYSA-N	376.456	4.620	70	10	GJIE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1	2239521351	SKZPONVACVFXTI-ZDUSSCGKSA-N	399.242	4.726	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cccc(Br)c2Cl)cc1	2101742832	UIHBAOHXYWRJGR-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
C/C(=C\Br)COc1ccc(S(=O)(=O)Cl)cc1C(C)(C)C	2234894833	OFKDGWATNKRMMH-CSKARUKUSA-N	381.719	4.589	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c(Br)c1C	2237680748	RGRJDIRFGOXYPZ-RNCFNFMXSA-N	381.046	4.581	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2cccc(Cl)c2)c(Br)c1	109526822	FYMXJCXIMGRVGY-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	160013773	GHYKIQXNUGEUEU-SFHVURJKSA-N	399.560	4.942	70	10	GJIE	
Cc1cc(Br)cc([C@H](N)Cc2cc(Br)ccc2F)c1	160305398	VJOLPFLSCWRYGE-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
COc1ccccc1-c1cc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)[nH]n1	217289181	NVCBZFYVYXRPNS-QGZVFWFLSA-N	393.462	4.634	70	10	GJIE	
Cc1nc(-c2ccccc2NS(=O)(=O)Cc2ccc(Cl)cc2)cs1	218581102	YWXPPMHHSZDOFL-UHFFFAOYSA-N	378.906	4.714	70	10	GJIE	
O=C(c1cc(Cl)ccc1Br)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194129177	JMLFYHLUHKKQSA-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
CC(C)CCOc1ccc(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1	160727812	OPDWOALMUWFNTF-UHFFFAOYSA-N	398.429	4.528	70	10	GJIE	
CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)CCC2	160879150	KELMZPKUMOVSJU-SGMGOOAPSA-N	389.487	4.845	70	10	GJIE	
Cc1ccc([C@H](C)NCc2cc(Br)c(O)c(Br)c2)o1	218419832	NJBHUVCMMBSDIB-VIFPVBQESA-N	389.087	4.669	70	10	GJIE	
Cc1nc2n(n1)CCC[C@H]2NCc1ccccc1Oc1ccc(F)cc1Cl	159855699	PQMNCXSKSCVXOQ-QGZVFWFLSA-N	386.858	4.796	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@@H](Cc2ccccc2)c2cccs2)s1	161327667	FVQZTTGPUDKNNF-KRWDZBQOSA-N	385.558	4.681	70	10	GJIE	
O=C(NC1CCCCCCCCCCC1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	217286831	YFKNRRWCJXASOM-JOCHJYFZSA-N	399.579	4.760	70	10	GJIE	
O=C(N/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217617796	JZZKYPKIWIAXBK-WUKNDPDISA-N	397.522	4.774	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc([C@@H](CS(=O)(=O)Cl)C2CC2)cc1Cl	1952684919	JOYWZBVTTXLPND-LBPRGKRZSA-N	394.320	4.749	70	10	GJIE	
C[C@H](COCc1ccccc1)Cn1cc(S(=O)(=O)Cl)c2cccc(F)c21	2227540873	JBAHJSIDEPEKST-AWEZNQCLSA-N	395.883	4.561	70	10	GJIE	
CCCN[C@@H](CSc1cccc(Cl)c1)c1c(Br)cnn1C	160760958	KVNQOEJCGIIGOE-AWEZNQCLSA-N	388.762	4.669	70	10	GJIE	
CC[C@H](C)c1cc(S(=O)(=O)Cl)ccc1OCCC=CBr	2170705680	LIQHTXPLGIIWIH-NSHDSACASA-N	381.719	4.805	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1	2190466107	XNIXDOUIHAWTHP-OAHLLOKOSA-N	399.242	4.806	70	10	GJIE	
COc1cc(C(=O)N(C)C)ccc1NC(=O)C/C=C/c1ccc(C(C)C)cc1	160191711	CZKJCASWJBLOJB-VOTSOKGWSA-N	380.488	4.562	70	10	GJIE	
F[B-](F)(F)c1ccc(C(F)(F)F)c(N(Cc2ccccc2)[C@H]2CCOC2)c1	2116127245	JZQGGQZUNBKUBE-HNNXBMFYSA-N	388.140	4.555	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1	2368352185	VIMTWXACUZANHJ-YJYMSZOUSA-N	399.242	4.726	70	10	GJIE	
CC(C)c1cc(Br)ccc1OCCCCCS(=O)(=O)Cl	135320815	IQFGTEXRYJNECY-UHFFFAOYSA-N	383.735	4.690	70	10	GJIE	
Nc1onc(-c2cc(Br)ccc2Br)c1-c1ccccn1	160788169	TWCQMSGLPRKLEK-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1	161064600	FTFKGRRQJBZAOT-MAUKXSAKSA-N	384.476	4.735	70	10	GJIE	
O=C(NCCCOc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1	217300077	WQSSQPAUQWTIBY-UHFFFAOYSA-N	387.911	4.921	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccccc2Cl)c(Br)c1	109526780	ZHOJSGSAUCNDEK-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)N3CC[C@@H](C)C[C@@H]3c3ccc(C)o3)c2)n[nH]1	159487581	NHMWRSNQCWJKCW-FZKQIMNGSA-N	379.464	4.687	70	10	GJIE	
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCCc1cccc(F)c1	159758756	FHRWRYCNDPIJMN-AWEZNQCLSA-N	382.401	4.784	70	10	GJIE	
O=C(c1ccsc1)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)s1	217293536	SPNOEHSZMULZKU-UHFFFAOYSA-N	385.485	4.528	70	10	GJIE	
O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1	217298987	LTTAZOUDOLXSMD-UHFFFAOYSA-N	383.673	4.693	70	10	GJIE	
CC(C)(C)OC(=O)N[C@@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2	218289297	ITNKBYPTLAHCQB-HXUWFJFHSA-N	378.516	4.765	70	10	GJIE	
Cc1nc(N(Cc2ccccc2)[C@@H](C)c2cccs2)ncc1[B-](F)(F)F	2052597633	KJUFNUKOKTVYJP-AWEZNQCLSA-N	376.236	4.669	70	10	GJIE	
Cc1cc(C)c(NC[C@@H](O)c2cccc(Br)c2)c(Br)c1	159800576	LGOFTASIBGAAEW-OAHLLOKOSA-N	399.126	4.974	70	10	GJIE	
COc1ccc(C(=O)C2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)CC2)cc1	161297641	LDLVJWDSXUJSSN-UHFFFAOYSA-N	390.483	4.528	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1Oc1ccc(Br)cc1Cl	2102558479	IJUBASWUIFPCLE-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC(C)COc1ccc([C@H](C)NC(=O)CCCc2nc(C(C)(C)C)no2)cc1	159627910	KUQKVEVTFCSWDL-INIZCTEOSA-N	387.524	4.602	70	10	GJIE	
O=C(c1cc(Br)c(F)cc1Cl)N1CCC[C@@H]([B-](F)(F)F)C1	2285914199	YAEZJEOIHJLZTB-SSDOTTSWSA-N	387.387	4.695	70	10	GJIE	
Cc1ccc([C@@H](N)Cc2cc(Br)ccc2F)cc1Br	160298550	KDEZUKJTCCTDNJ-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CC(C)=C(CN1CCCN(Cc2ccccc2)CC(F)(F)C1)[B-](F)(F)F	2317846407	XGCRXYVLKHYMQV-UHFFFAOYSA-N	375.214	4.553	70	10	GJIE	
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2ccn[nH]2)CC1	160449459	LOHRORRSFDJECR-HXUWFJFHSA-N	394.544	4.653	70	10	GJIE	
N[C@@H](c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Br	159854215	QWIFVBBHYRYZCO-INIZCTEOSA-N	397.110	4.585	70	10	GJIE	
O=C(c1cc(Br)ccc1Br)[C@H]1CCOc2ccccc21	160763542	FUOJYYNQACPSAW-LBPRGKRZSA-N	396.078	4.961	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc([C@H](CS(=O)(=O)Cl)C2CC2)ccc1Cl	1952693927	XPGIFKBXADQPIK-GFCCVEGCSA-N	394.320	4.749	70	10	GJIE	
O=S(=O)(F)c1cc(Cl)c(OCCCOCc2ccccc2)c(Cl)c1	2016788193	IAYPSUDPADWXSG-UHFFFAOYSA-N	393.263	4.637	70	10	GJIE	
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1N1CCC(CO)CC1	160292076	BXYIDODGDMRNTL-UHFFFAOYSA-N	399.560	4.570	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)c1ccco1	160527900	PNFJQBXEKZVDCG-KNQAVFIVSA-N	393.487	4.653	70	10	GJIE	
Cc1ccccc1-n1nc(C)c2cc(C(=O)N(C(C)C)C3CCOCC3)sc21	160592620	FADRLZFVKQMOPQ-UHFFFAOYSA-N	397.544	4.733	70	10	GJIE	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161462089	IQZYIJBZXCIMEV-SFHVURJKSA-N	383.448	4.612	70	10	GJIE	
O=C(NCCc1ccc(Br)cc1)NCC12CC3CC(CC(C3)C1)C2	217276554	ZYTYARXHKGETJW-UHFFFAOYSA-N	391.353	4.507	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1OC	217308395	LBGPXQHRWNCKMU-UHFFFAOYSA-N	383.275	4.765	70	10	GJIE	
C[C@@H](Oc1ccc(S(=O)(=O)Cl)cc1Br)c1ccccc1	312220889	AJXIXBNVKFESGG-SNVBAGLBSA-N	375.671	4.517	70	10	GJIE	
Cc1cccc([C@H](NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c2ccccn2)c1	159891026	MJCDABPCZKUQOR-LZNRXBQRSA-N	378.422	4.678	70	10	GJIE	
CC[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	160227003	QBQQMMNXRLYGBM-CABZTGNLSA-N	399.709	4.863	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(C)(C)S(=O)(=O)F)cc1Cl	1952845488	UWJPBRAJEUMRHH-UHFFFAOYSA-N	386.272	4.875	70	10	GJIE	
C[C@@H]1C[C@H]1CCCCOc1ccc(Br)cc1S(=O)(=O)Cl	2280430749	DXIFJDXMIYPKNN-GHMZBOCLSA-N	381.719	4.582	70	10	GJIE	
CC(C)N(CCC(=O)Nc1cc(Cl)ccc1Cl)CCc1nccs1	159929598	WYRIXUVCDPOKGQ-UHFFFAOYSA-N	386.348	4.732	70	10	GJIE	
Brc1ccc2ncnc(N[C@H]3CCO[C@@H](c4ccccc4)C3)c2c1	160543244	RWCULDNCUXSMHV-MAUKXSAKSA-N	384.277	4.725	70	10	GJIE	
Cc1cc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)ccc1Br	217302197	XTHVHWHUGNAGCB-UHFFFAOYSA-N	385.265	4.962	70	10	GJIE	
C[C@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1ccc(-c2ccncc2)cc1	159382001	LCUMAYPUXADVHE-MSOLQXFVSA-N	389.499	4.788	70	10	GJIE	
Nc1ccc2c(c1)CCC[C@H]2Nc1ncc(Br)cc1Br	159515572	PTDAXKYYGZBKJP-CQSZACIVSA-N	397.114	4.678	70	10	GJIE	
COc1ccc([C@@H](N)c2cc(Br)ccc2Br)cc1C	159813858	XFJMSZPQLYWSMI-OAHLLOKOSA-N	385.099	4.577	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)N3CCC(C)(c4ccccc4)CC3)c2)no1	161448563	OJBOFAHACJLNQD-UHFFFAOYSA-N	376.460	4.631	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc2nc(C)c(C)nc2c1	217301978	BZJREBCVRAKRAV-INIZCTEOSA-N	378.476	4.836	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1csc(-c2ccccc2Cl)n1	160493112	DSWGEYDZKPWGIX-ZDUSSCGKSA-N	386.904	4.872	70	10	GJIE	
CN[C@@H](Cc1ccc(Br)s1)c1ccc(OC(F)(F)F)cc1	160663472	LOGVYUXEMYZWKB-LBPRGKRZSA-N	380.229	4.912	70	10	GJIE	
O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCN1c1ccccc1	217824854	VGBIIARRCSXQKC-QGZVFWFLSA-N	377.315	4.711	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)s1	159411614	WEGCFTYKYUEPJY-FQEVSTJZSA-N	383.492	4.564	70	10	GJIE	
COc1ccc([C@H](C)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1NC(C)=O	160826184	PTMPZANZNQQHSG-IRXDYDNUSA-N	399.535	4.713	70	10	GJIE	
Cc1ccc([C@@H](O)[C@@H](CN)c2ccc(Cl)cc2Cl)c(Br)c1	161504747	JGBCGGGLNDFFCP-XJKSGUPXSA-N	389.120	4.840	70	10	GJIE	
CC[C@H](C)c1ccccc1NC(=O)N[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	217284966	CHXLYCHHCHHONH-LNLFQRSKSA-N	379.504	4.684	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)Oc1ccc(Cl)cc1	217294728	AGRMXZZAPRJYIA-GJZGRUSLSA-N	376.884	4.832	70	10	GJIE	
CCC(CC)(COc1ccc(C)c(Br)c1)CS(=O)(=O)Cl	383300606	NNMOHABYUQDDBZ-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
C[C@H](Cc1c(Cl)ccc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)F	1952837921	DQWFXSRVYUQUQS-MRVPVSSYSA-N	386.272	4.571	70	10	GJIE	
CCCOc1ccc([C@@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1OCCC	159540033	SNGQXEOPVLOGFX-IAGOWNOFSA-N	377.525	4.504	70	10	GJIE	
CN(C)CC1CCC(NC(=O)Nc2ccc(COCc3ccccc3)cc2)CC1	160526749	WWRPOJYGPBEMGP-UHFFFAOYSA-N	395.547	4.645	70	10	GJIE	
CCN[C@H](CSc1ccccc1Cl)c1c(Br)cnn1CC	160751292	OYWZLIJRLJBCRE-CYBMUJFWSA-N	388.762	4.762	70	10	GJIE	
O=C(NC=C1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	218756232	TYAUDYMOCUXACU-UHFFFAOYSA-N	375.516	4.561	70	10	GJIE	
CCC1(COc2c(Cl)cc(Br)cc2S(=O)(=O)F)CCC1	2191420726	ADIUGJXLKILMCC-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1cccc(-c3ccccn3)c1)CCC2	160237101	QAMISRCTBVTFIR-HXUWFJFHSA-N	392.528	4.733	70	10	GJIE	
F[B-](F)(F)c1cnc(N(CCC(F)(F)F)Cc2ccccc2)c(Cl)c1	2004991731	UJXNECBRMBJCNC-UHFFFAOYSA-N	381.536	4.748	70	10	GJIE	
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccoc3)n2)C1	161079302	JEXLDLMGKHLBJD-DLBZAZTESA-N	394.418	4.730	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OC[C@H]2C=CCCCC2)c(Br)c1	1925860709	DGGJMHJZXXLKST-NSHDSACASA-N	379.703	4.502	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2229034940	VQTQJUXZIYMXDS-CYBMUJFWSA-N	385.215	4.796	70	10	GJIE	
Cc1nc(-c2cccc(OCc3ccc(F)cc3)c2)sc1S(=O)(=O)Cl	103862375	VKXFOCCIRXMJAB-UHFFFAOYSA-N	397.880	4.764	70	10	GJIE	
Cn1nccc1-c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1	159813569	AERSIDSILBHQIP-UHFFFAOYSA-N	384.064	4.613	70	10	GJIE	
CCOc1ccccc1OCNC(=O)N[C@H](CC)c1ccc2c(c1)CCCC2	217289553	WMMBCUGAKRSHCG-HXUWFJFHSA-N	382.504	4.751	70	10	GJIE	
O=S(=O)(Cl)C[C@H](c1cc(Br)cc(C(F)(F)F)c1)C1CC1	1951877750	ZIARUWURJUOOGX-NSHDSACASA-N	391.636	4.530	70	10	GJIE	
COCCOc1ccc([C@H](C)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1	161064438	JGAGIMRYGQBIPJ-RKCKCALGSA-N	394.559	4.558	70	10	GJIE	
CN[C@@H](Cc1ccc(OC(F)(F)F)cc1)c1sccc1Br	161448275	HLMVXUPDFUSCHX-LBPRGKRZSA-N	380.229	4.912	70	10	GJIE	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161463658	XDSOULHSSDIZNN-KUHUBIRLSA-N	397.475	4.858	70	10	GJIE	
COc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1Cl	218263225	SWWHOXUATUVMCR-CMDGGOBGSA-N	381.657	4.904	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C	159598235	SJCDJEKUDWKTHB-KUHUBIRLSA-N	375.513	4.568	70	10	GJIE	
C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1Br	160023591	HHXABTLGRPPBLW-SNVBAGLBSA-N	395.094	4.803	70	10	GJIE	
O=C1CCCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)sc21	216736968	WHBZBJPGSKMTDU-ZJUUUORDSA-N	381.284	4.711	70	10	GJIE	
CCc1nnc(-c2ccc(NC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)cc2)o1	161447994	BFDAHUJZBZXQQV-YOEHRIQHSA-N	380.448	4.897	70	10	GJIE	
CC1(C)Cc2cccc(OCC(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)c2O1	217288579	VEQJLMLSESNTKP-LJQANCHMSA-N	397.490	4.714	70	10	GJIE	
CC(=CBr)COc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl	2219377068	SNNRHSAIBGOTJK-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
C/C(=C\Br)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl	2219378308	BCKDDHHUBDEPAY-GQCTYLIASA-N	394.501	4.598	70	10	GJIE	
CCc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1Br	109526919	KBABXHADBCLYGU-UHFFFAOYSA-N	375.671	4.731	70	10	GJIE	
CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1Cl	161055851	CKCUGOXFEYPZCU-GFCCVEGCSA-N	390.871	4.501	70	10	GJIE	
CN(CC1CCOCC1)C(=O)Nc1ccccc1OCc1cccc(Cl)c1	161396924	DLJSQEURIYITRH-UHFFFAOYSA-N	388.895	4.809	70	10	GJIE	
Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Cl)c4cccnc34)c2C)o1	161432812	AACQNXZKSJLAQL-UHFFFAOYSA-N	396.834	4.506	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2Cl)cc1	168054120	FDMZNTZXHFLEMR-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
Cc1nc(C)c([B-](F)(F)F)c(N(Cc2ccccc2)CC2CCCCC2)n1	2116131623	AOTNUNUDCHIYOV-UHFFFAOYSA-N	376.255	4.735	70	10	GJIE	
CSc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1Br	113294680	CPXVRLVBRITYDH-UHFFFAOYSA-N	393.711	4.891	70	10	GJIE	
Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280362	ODZUFEJDLFNZJQ-UHFFFAOYSA-N	385.851	4.687	70	10	GJIE	
Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H](c2ccc(F)cc2)C1	217289523	IGOBDELRESOVCH-INIZCTEOSA-N	381.900	4.746	70	10	GJIE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F	2116125903	CTRAIGYJAWHJCF-LBPRGKRZSA-N	387.156	4.960	70	10	GJIE	
CC(C)C[C@H](COc1ccc(OCc2ccccc2)cc1)CS(=O)(=O)Cl	2353836461	ZSGWXDNOCLOEQH-GOSISDBHSA-N	396.936	4.875	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)NC(=O)Nc1ccc(Br)cn1	217292666	ZBVPBSUBWGCSTD-GFCCVEGCSA-N	378.270	4.514	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1	2342482551	NKMNVGOEHAJQBK-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1	2368343885	UIRJQGMDFGSVCP-LJQANCHMSA-N	397.226	4.887	70	10	GJIE	
CCC(CC)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	122319009	JWTNIKWLFRQVCM-UHFFFAOYSA-N	376.099	4.597	70	10	GJIE	
CC(C)(C)OC(=O)N[C@@H]1CCCc2cc(CI)ccc21	140294078	VUVDWAJHLXPSPO-CQSZACIVSA-N	387.261	4.524	70	10	GJIE	
COc1cc(Br)ccc1C(=O)Nc1ccc(C)c(Br)c1	160664902	BDVZNDRPWWLHRM-UHFFFAOYSA-N	399.082	4.781	70	10	GJIE	
Cc1c(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cccc1N1CCOC1=O	161462536	DDJODEWZFPISAI-KSSFIOAISA-N	383.448	4.550	70	10	GJIE	
C[C@@H](CC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccc(F)cc1F	159513632	HTNGZQJKEDZWNN-INIZCTEOSA-N	396.437	4.749	70	10	GJIE	
Brc1ccc([C@@H](Cc2ccccn2)N[C@H]2CCCSC2)cc1	159565627	DSUZTIGMMOLBQD-ZWKOTPCHSA-N	377.351	4.613	70	10	GJIE	
CN[C@H](Cc1cccc(Br)c1)c1ccc(Br)cc1OC	160709829	JVXGUYISQVZQTP-OAHLLOKOSA-N	399.126	4.723	70	10	GJIE	
C[C@@H](NCc1nc2cc(Br)ccc2[nH]1)c1ccc(OC(F)F)cc1	161449269	BDUJCCJKOSKFAL-SNVBAGLBSA-N	396.235	4.778	70	10	GJIE	
CCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1	211731837	HMUUABUHMGXXEK-UHFFFAOYSA-N	396.734	4.532	70	10	GJIE	
CCC[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	233339666	ZQNTZSMQQQUROV-ZETCQYMHSA-N	376.099	4.597	70	10	GJIE	
C[C@@H]1CC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@@H](C)C1	160221288	BOLDTUONXZNTSJ-IUCAKERBSA-N	399.709	4.719	70	10	GJIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccccc3C(C)(C)C)cc2C1=O	217279710	UXROLHQEBYVCPO-UHFFFAOYSA-N	393.487	4.880	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)c(Cl)c2)cc1	217299357	SGOISWTZLWJTGL-UHFFFAOYSA-N	375.900	4.810	70	10	GJIE	
Cc1ncc(Oc2ccc(S(=O)(=O)Cl)cc2Cl)cc1Br	2148859065	LRDDAADPNYALOQ-UHFFFAOYSA-N	397.077	4.526	70	10	GJIE	
CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br	59082721	FNASTYUHQFXXEH-SNVBAGLBSA-N	396.734	4.532	70	10	GJIE	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	160640799	HCMMBKIYOSRGDF-KDOFPFPSSA-N	383.492	4.531	70	10	GJIE	
Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)c(C)c1	217289386	MRDFJVOQBUJEQA-IBGZPJMESA-N	375.509	4.709	70	10	GJIE	
CC1(C)CC[C@@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2281088390	ORCQULPOORCYCA-MRVPVSSYSA-N	385.682	4.576	70	10	GJIE	
O=S(=O)(Cl)CC1(COc2ccccc2Br)CCCCCC1	115567966	XKPBDRSHYXYMBV-UHFFFAOYSA-N	395.746	4.737	70	10	GJIE	
Cc1ccc([C@@H](C)NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)o1	160459471	RYRGOHZOYSSHPK-GFCCVEGCSA-N	377.872	4.652	70	10	GJIE	
O=C(c1ccc(C(=O)N2CCC3(CCCCC3)C2)o1)N1CCC2(CCCCC2)C1	161090724	CHDWQFYRJSEBQT-UHFFFAOYSA-N	398.547	4.872	70	10	GJIE	
C[C@H](N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Cl)cc1)C(C)(C)C	2095896001	ODYDLRQERNXWTK-HNNXBMFYSA-N	393.936	4.691	70	10	GJIE	
O=C(c1ccc(Cl)cc1Br)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194131347	ZPLYGOUNGMBASC-OQPBUACISA-N	381.408	4.556	70	10	GJIE	
F[B-](F)(F)[C@@H]1CCN(Cc2cccc(Br)c2Br)C1	2303136403	SSXNHIAKMUMVFJ-SECBINFHSA-N	385.838	4.635	70	10	GJIE	
c1csc(-c2nc(CN3CCCC[C@@H]3c3nnc4n3CCCC4)cs2)c1	160593546	VHBPBKUAYXKLCO-OAHLLOKOSA-N	385.562	4.527	70	10	GJIE	
CN[C@@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1OC	160704513	BGBZEJZYJYILSN-HNNXBMFYSA-N	399.126	4.723	70	10	GJIE	
Cc1cc(C)cc(COc2ccc(S(=O)(=O)Cl)cc2Br)c1	103397229	WJWXVEHJHKHJEB-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
O=C1OC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21	217538079	AOTVRHVHUJTURU-UHFFFAOYSA-N	391.254	4.687	70	10	GJIE	
CC[C@H]1C[C@@H]1CCOc1c(C)cc(Br)cc1S(=O)(=O)Cl	2236504352	VRIQYCRXZVNLBX-QWRGUYRKSA-N	381.719	4.500	70	10	GJIE	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	160640665	HCMMBKIYOSRGDF-KSSFIOAISA-N	383.492	4.531	70	10	GJIE	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	161044971	BDMPJRFXRSCKPT-OIISXLGYSA-N	397.437	4.687	70	10	GJIE	
CNCc1oc2c(Br)cc(OC)c(Br)c2c1C(C)C	161499655	JGMCGRWOLNCZAY-UHFFFAOYSA-N	391.103	4.809	70	10	GJIE	
CC(C)CCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298731	DRXVWCJOGVFOIV-UHFFFAOYSA-N	399.373	4.861	70	10	GJIE	
CC(C)(C)c1cc(S(=O)(=O)Cl)ccc1OCC/C=C/Br	2170703648	GUDMPRCRRCHJHT-XBXARRHUSA-N	381.719	4.589	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CCC([B-](F)(F)F)CC2)cc1	2239513672	RMTGRFGZSZGJIB-UHFFFAOYSA-N	397.226	4.887	70	10	GJIE	
Cc1cc(C)cc(COc2ccc(Br)cc2S(=O)(=O)Cl)c1	88270565	FCMFIGJEZVNCNF-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CC(C)CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	165159853	HYCADZLWXRNBGZ-UHFFFAOYSA-N	390.126	4.845	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CC[C@H](C)C1	2197493780	HZXHBFZWYCAWTK-CABZTGNLSA-N	381.719	4.506	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C(=O)N2CC[C@H]([B-](F)(F)F)C2)cc1	2368349598	ONNFYLPIUXIXTJ-AWEZNQCLSA-N	399.242	4.761	70	10	GJIE	
CNCc1ccc(Br)cc1Oc1cc(F)ccc1Br	160384160	HFSHNISWPOHCQH-UHFFFAOYSA-N	389.062	4.862	70	10	GJIE	
Cc1cc(NC(=O)N[C@@H](C)Oc2ccc(Cl)cc2)ccc1Br	217295256	ZUMLJGIKCPGOBY-LLVKDONJSA-N	383.673	4.957	70	10	GJIE	
CC(C)COc1ccc([C@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)cc1	159478402	QANKPBIADXYBQV-INIZCTEOSA-N	395.528	4.660	70	10	GJIE	
Cc1c(CSC(C)C)cccc1NC(=O)NC1CCC(CN(C)C)CC1	160548758	QACDRVGIPVMZSI-UHFFFAOYSA-N	377.598	4.879	70	10	GJIE	
CC(C)(C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F	2052598022	NBWCUZPYKFFDDR-UHFFFAOYSA-N	375.145	4.960	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CC[C@H](C)C1	2157874851	BJRSJYFNEKJTKV-GXSJLCMTSA-N	381.719	4.500	70	10	GJIE	
COc1ccc2c(CC(=O)N[C@H](c3cccc(C)c3)c3ccccn3)coc2c1	159713347	VIECYEJUUNOQOR-XMMPIXPASA-N	386.451	4.593	70	10	GJIE	
Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccccc3-n3cccn3)o2)cc1C	160794610	KKBBRQPBJWMANG-QZTJIDSGSA-N	387.487	4.951	70	10	GJIE	
C[C@H]1Cc2cc([C@@H](O)c3cc(Br)ccc3Br)ccc2O1	161035588	GUJIRYYWALBDMK-XXFAHNHDSA-N	398.094	4.617	70	10	GJIE	
CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(Cn2ccccc2=O)cc1	161058858	CEXKUFPRIYZDAS-KRWDZBQOSA-N	396.918	4.800	70	10	GJIE	
Cc1nn(C)c(C)c1[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1	217044505	MOSPJXNGWZNGRP-OAQYLSRUSA-N	383.499	4.989	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)NC(=O)NCc1ccccc1Br	217292578	JSOCEALUTLVZNY-AWEZNQCLSA-N	391.309	4.797	70	10	GJIE	
CCC[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	233279523	ZQNTZSMQQQUROV-SSDOTTSWSA-N	376.099	4.597	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)CC(C)C	2197483552	ZZQQZNDNCDBSCY-JTQLQIEISA-N	383.735	4.752	70	10	GJIE	
CC(C)(C)OC(=O)N1CCC(CCC2CCN(C[B-](F)(F)F)CC2)CC1	2314339892	AZNNQAQGLWJWPX-UHFFFAOYSA-N	377.280	4.512	70	10	GJIE	
COc1ccc([C@@H](N)c2cc(Br)ccc2Br)c(C)c1	159805325	LNNSDTKKZXOEQQ-OAHLLOKOSA-N	385.099	4.577	70	10	GJIE	
CCC1(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)CC1	1882279961	STCXEGZZFFDRHX-UHFFFAOYSA-N	388.110	4.599	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(C=CS(=O)(=O)Cl)cccc1C(F)(F)F	1952289090	LILNQKHTAXOKTB-UHFFFAOYSA-N	385.791	4.592	70	10	GJIE	
C[C@H](C1CC1)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	1981465832	RMHJARBXCRNIDY-GFCCVEGCSA-N	398.055	4.704	70	10	GJIE	
C[C@@H](C1CC1)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F	2116128485	UVBVWOFZNKDNPF-LBPRGKRZSA-N	387.156	4.960	70	10	GJIE	
COc1ccc([B-](F)(F)F)c(N(Cc2ccccc2)CC2CCCCC2)n1	2265930475	RSSGJKWTUXBIIT-UHFFFAOYSA-N	377.239	4.732	70	10	GJIE	
CN(c1ncc(Cl)cc1[B-](F)(F)F)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1	2116162478	VTBWBHSCHCUMQX-SJORKVTESA-N	397.657	4.610	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CCC([B-](F)(F)F)CC1	2231058103	RBHBFCBDNOWOLU-UHFFFAOYSA-N	380.239	4.602	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br	160442295	MUVKEKSGOHDVMO-ZIAGYGMSSA-N	391.309	4.526	70	10	GJIE	
C[C@@H](NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1cccc(Cl)c1	159931298	QWJPIMRVGHTDPW-LLVKDONJSA-N	380.275	4.578	70	10	GJIE	
CCN(C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)[C@@H](C)c1cccnc1	161172713	TUMYKQDOFXVJHQ-HOTGVXAUSA-N	385.483	4.863	70	10	GJIE	
Cc1c(S(=O)(=O)Cl)c2ccccc2n1C[C@H](C)COCc1ccccc1	719551865	KJEFQKKZGFAZTJ-HNNXBMFYSA-N	391.920	4.730	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC[C@@H]1C[C@H]1C	2182720454	UZHLPUQQMVYNGA-MWLCHTKSSA-N	381.719	4.500	70	10	GJIE	
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cc(-c3cccs3)on2)C1	161089004	MEJWQXZEDUZZPL-JKSUJKDBSA-N	394.418	4.730	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc(OCC(F)(F)F)cc1	161464277	YCCITDJJXREOCV-UHFFFAOYSA-N	387.427	4.569	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCC1CCCCCC1	2364460887	MWRDKBBPNQEZLO-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
N[C@H](Cc1cc(Br)ccc1F)c1ccc(F)cc1Br	160373817	QGCSQDVSSWSBAD-CQSZACIVSA-N	391.053	4.732	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)NC(=O)NCc1ccc(Br)cc1	217292601	GFIDGMMMQMICJS-CQSZACIVSA-N	391.309	4.797	70	10	GJIE	
CC(C)(C)c1cc(CCC(=O)N2CCc3ncncc3C2)cc(C(C)(C)C)c1	218056432	YDXIUNRIKIHJPU-UHFFFAOYSA-N	379.548	4.589	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CC[C@@H](C)[C@@H](C)C1	221040016	UMCUKICPHXMOLG-GBIKHYSHSA-N	395.746	4.889	70	10	GJIE	
O=S(=O)(Cl)c1c(C(F)(F)F)ccc(OC(F)(F)F)c1C(F)(F)F	2055422391	OFDZNKQDCRXSHU-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
CC1(C)CC[C@H](COc2ccc(Br)cc2S(=O)(=O)Cl)C1	2367469069	IMOKLKXIUAICBI-JTQLQIEISA-N	381.719	4.582	70	10	GJIE	
Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)c1	218548737	HZIXEEWNBULYJM-HNNXBMFYSA-N	377.469	4.777	70	10	GJIE	
CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@H]([B-](F)(F)F)C2)c1	2342475352	QITCSVWGCIVAGT-ZDUSSCGKSA-N	385.215	4.660	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)ccc1OCc1cccc(Br)c1	88270814	WTABMRANFZUQGU-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CCN[C@@H](Cc1cc(Br)ccc1F)c1ccc(Br)o1	160364033	IVBKPWVOPGPDDE-LBPRGKRZSA-N	391.078	4.837	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1	160796792	KSBKNBULMPEOKU-MSOLQXFVSA-N	390.531	4.675	70	10	GJIE	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160878359	XYVOCNPREBYZJC-IFXJQAMLSA-N	383.492	4.603	70	10	GJIE	
CC[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1	161173941	BYGITSIQXNXXEB-BXKDBHETSA-N	391.846	4.883	70	10	GJIE	
CC(C)(C)/C=C/NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	218543531	SCQZGFFPVSPGSZ-CCEZHUSRSA-N	377.532	4.663	70	10	GJIE	
C/C(=C\Cl)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	231996859	LAZSMYALLZCKHV-GQCTYLIASA-N	394.501	4.551	70	10	GJIE	
C[C@H]1C[C@@H]1CCCCOc1ccc(S(=O)(=O)Cl)cc1Br	2280448729	XZZMTSKMOIWBEG-QWRGUYRKSA-N	381.719	4.582	70	10	GJIE	
C[C@H]1C[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)CC[C@H]1C	113962162	IRMXAKMVWNKFLA-OUAUKWLOSA-N	381.719	4.580	70	10	GJIE	
C[C@H]1Cc2cc(C(=O)c3cc(Br)ccc3Br)ccc2O1	159761887	MIJLQZALLHSXKV-VIFPVBQESA-N	396.078	4.766	70	10	GJIE	
C[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccccc1)c1ccc2ccccc2c1	159981739	JETYCSFGAOPUAP-KRWDZBQOSA-N	395.462	4.718	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCCc1ccc(Br)s1	160423904	OXHUHVYLLPAGDP-CYBMUJFWSA-N	396.350	4.629	70	10	GJIE	
Cc1ccc(C)c(-n2ncc(NC(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)c2C)c1	160659006	ZNWPFQVJRZKISX-KRWDZBQOSA-N	392.503	4.598	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccccc2NC(=O)C(F)(F)F)cc1	216778665	YXCXLBDRQPXRPV-CYBMUJFWSA-N	394.393	4.717	70	10	GJIE	
COc1ccc([C@H](C)NCc2nc(-c3c(F)cccc3F)cs2)cc1OC	161498726	ZWFSNISIMCIYII-LBPRGKRZSA-N	390.455	4.956	70	10	GJIE	
Cc1cccc(OCC(=O)Nc2ccccc2-c2cn3ccsc3n2)c1C	218548107	NDAQEOBFYOUGOU-UHFFFAOYSA-N	377.469	4.697	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C=CCS(=O)(=O)Cl)cc(C(F)(F)F)c1	1952439799	SERSFVQAFGNZGD-UHFFFAOYSA-N	399.818	4.634	70	10	GJIE	
CCc1ccc(COc2ccc(S(=O)(=O)Cl)cc2Br)cc1	106412202	NXCSAEZUJXFCPS-UHFFFAOYSA-N	389.698	4.518	70	10	GJIE	
Cc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1C	109526760	MQOILHRSZFQUSD-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
Cc1ccc(C)c(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	109526787	MVJHKBYOYOFQRR-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
COc1ccc([C@@H](C)NCCSc2ccc(Cl)cc2)cc1NC(C)=O	160079462	FMRJWHOZRPBSEO-CYBMUJFWSA-N	378.925	4.750	70	10	GJIE	
C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(OC(F)F)cc1OC(F)F	161074791	GEROVYKDAYVQAX-BLLLJJGKSA-N	387.373	4.664	70	10	GJIE	
CC[C@@H](C)c1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)C)C2=O	217279364	YHLWWLJNNXMHCV-CQSZACIVSA-N	379.460	4.849	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)c2ccsc12)[C@@H]1CC[C@@H]1OCc1ccccc1	2116127392	QPLIYSAIZKYMMY-SJORKVTESA-N	391.247	4.535	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2268230665	WOQXSGZBJXZHFA-CYBMUJFWSA-N	385.215	4.796	70	10	GJIE	
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccsc1-c1nc(C2CC2)no1	217286580	IOVCCXLPBWVJIY-UHFFFAOYSA-N	393.390	4.876	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C	2095894761	CDMDLOQECXXXLL-MRXNPFEDSA-N	393.936	4.609	70	10	GJIE	
CN(c1ncc(Cl)cc1[B-](F)(F)F)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1	2116162477	VTBWBHSCHCUMQX-IRXDYDNUSA-N	397.657	4.610	70	10	GJIE	
CC1(C)CCC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	2163859317	BIQUTJLIMHCQFL-SNVBAGLBSA-N	381.719	4.724	70	10	GJIE	
CCCN(CC)CCN[C@@H](C)c1ccc(Br)cc1Br	217671284	GGEAHUPUODCODR-LBPRGKRZSA-N	392.179	4.594	70	10	GJIE	
C=CCCCCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191421256	GUZWPYIPMVUHID-UHFFFAOYSA-N	385.682	4.886	70	10	GJIE	
CCC[C@@H]1C[C@H]1COc1c(C)cc(Br)cc1S(=O)(=O)Cl	2200568323	RARCRDPEMASJFI-MNOVXSKESA-N	381.719	4.500	70	10	GJIE	
COc1cc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c(OC)cc1Cl	217302181	NIRFHKUXEDRHQD-UHFFFAOYSA-N	386.839	4.561	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](CS(=O)(=O)Cl)C1CC1	1952683580	XPMLMCCAAORIDY-CYBMUJFWSA-N	394.320	4.749	70	10	GJIE	
CCC(C)=CCOc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2363762595	DJVDCVWGLUXXSA-UHFFFAOYSA-N	381.719	4.674	70	10	GJIE	
COC(=O)[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)c2ccccc21	159467934	JHBSCZCPHJMGRV-HNNXBMFYSA-N	397.780	4.666	70	10	GJIE	
C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CN3CCCC3=O)cc2)c2ccccc21	160738965	HVNYXWCVZYSQSS-IIBYNOLFSA-N	377.488	4.569	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)cc1C(=O)N(Cc1ccccc1)C1CCCC1	2095913562	WOQMXVFOKPXUOX-UHFFFAOYSA-N	391.920	4.508	70	10	GJIE	
CCCCCOc1c(OC)cccc1-c1nc(C)c(S(=O)(=O)Cl)s1	103846325	IZWAKBLRCYYSEO-UHFFFAOYSA-N	389.926	4.624	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(OCC)c(OCC)c2)cc1	217266080	YJOFGGFUWFSSOZ-UHFFFAOYSA-N	388.420	4.663	70	10	GJIE	
O=C(CSc1nc2ccccc2o1)Nc1ccsc1-c1nc(C2CC2)no1	217286096	LLCOTJHVJAWXPQ-UHFFFAOYSA-N	398.469	4.548	70	10	GJIE	
O=C(NCCc1ccccc1Br)Nc1cccc2c(O)cccc12	217379676	HYNIJURKKCFJHA-UHFFFAOYSA-N	385.261	4.672	70	10	GJIE	
CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342484808	FTRYNPCMUDQGBO-GOSISDBHSA-N	393.279	4.548	70	10	GJIE	
O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161003504	HQGLABRQBRSDPL-HIFRSBDPSA-N	386.829	4.788	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)ccc1C(=O)N(Cc1ccccc1)C1CCCC1	2095912729	LRESSIUBHCYYGL-UHFFFAOYSA-N	391.920	4.508	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@@H](CC(C)C)c1ccccc1OC	159394190	KIAIPZGOSAMJQQ-KRWDZBQOSA-N	375.538	4.513	70	10	GJIE	
Cc1c(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cnn1C1CCOCC1	160303048	MYUZXXBGJXZQAE-KRWDZBQOSA-N	389.499	4.701	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)N[C@@H](C)c2cc(C)ccc2OCC)cc1	217265957	YZWDMLQMNWKCOF-HNNXBMFYSA-N	386.448	4.812	70	10	GJIE	
CC[C@@H](C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F	2052600637	ARNMIYMPSLYKEZ-GFCCVEGCSA-N	375.145	4.960	70	10	GJIE	
C[C@H](COCc1ccccc1)COc1ccc(S(=O)(=O)F)cc1C(C)(C)C	2191431566	JHJHZQINSWJHNJ-MRXNPFEDSA-N	394.508	4.874	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Cl)cc1	59076408	LJYVENXULYSHCS-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1	161388386	RBMLWQUTXWLVKK-AWEZNQCLSA-N	378.476	4.877	70	10	GJIE	
O=C(c1cc(Cl)ccc1Cl)N(CCc1cccs1)C1CCOCC1	217291354	FCNTZQJAPQAYHC-UHFFFAOYSA-N	384.328	4.919	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCc2ccc(Br)cc2)c(C)c1	217315542	KTMQZEQYVCFXLM-UHFFFAOYSA-N	390.325	4.925	70	10	GJIE	
Cc1cc(Br)ccc1OCCCCCCCS(=O)(=O)Cl	2294700445	FQIPWFHUHOFJLG-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2-c2nncn2CC)o1	160203035	PZHLSKRMHAMPST-IBGZPJMESA-N	393.491	4.880	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OC1CCCCC1	59080055	NVBCYQHWGGXXHL-UHFFFAOYSA-N	388.110	4.742	70	10	GJIE	
Cc1cc(Br)ccc1[C@H](N)Cc1ccc(F)cc1Br	161345349	DBKCHNANQQZIFS-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
F[B-](F)(F)c1cnc2c(N(CCC(F)(F)F)Cc3ccccc3)ccnc2c1	2172758794	VEQBXWHJXQPGAE-UHFFFAOYSA-N	398.139	4.643	70	10	GJIE	
CCC(CC)(COc1cccc(C)c1Br)CS(=O)(=O)Cl	2295723588	WOKLGGVCURUAOX-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
C[C@@H](C(=O)N1CC[C@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2342479150	DNBOPDVYDHCJAW-OCCSQVGLSA-N	385.215	4.587	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1	2342481201	HGCHZCHPOMJYRC-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
CCCN[C@@H](Cc1ccncc1)c1cc(Br)ccc1Br	160806782	ROUZOGHHDLRFIV-INIZCTEOSA-N	398.142	4.890	70	10	GJIE	
CC(C)COc1ccc([C@H](C)NC(=O)N(CCc2nccs2)C(C)C)cc1	159821069	KKCZGFXPJHNVOT-KRWDZBQOSA-N	389.565	4.902	70	10	GJIE	
CC(C)CNC[C@H](Cc1ccc(I)cc1)C1CCCC1	160017004	NLJRVHIRAUASJB-KRWDZBQOSA-N	385.333	4.886	70	10	GJIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccccc3C(C)C)cc2C1=O	217279457	BAJKVAHEYCIWIS-UHFFFAOYSA-N	379.460	4.706	70	10	GJIE	
CC(C)(COc1ccc2cc(Br)ccc2c1)CS(=O)(=O)Cl	115561826	MXKVTVGAWWKNBK-UHFFFAOYSA-N	391.714	4.576	70	10	GJIE	
Cc1cccc(COc2ccc(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)c(C)c2)c1	159823961	PMTAKPZKRRVHIX-QGZVFWFLSA-N	392.503	4.667	70	10	GJIE	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(-c3ccc(F)cc3)o2)n1	161086776	DBFLNFAEOPEUHH-UHFFFAOYSA-N	376.391	4.686	70	10	GJIE	
COCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1	161511141	GQQQSZBVHMYDKY-MLGOLLRUSA-N	398.286	4.864	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1	2342482235	LOGLVJSTKHKDSF-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
CC[C@@H]1CCCC[C@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	111779791	AMUXFNNXJSYLEX-ZWNOBZJWSA-N	381.719	4.724	70	10	GJIE	
Cc1nc(-c2cccnc2)sc1[C@H](C)NCCOc1ccc(F)cc1F	160084184	VVNMLCSCEUWUKH-LBPRGKRZSA-N	375.444	4.521	70	10	GJIE	
Cc1cc(Cl)ccc1Oc1ccc(CS(=O)(=O)C2CCOCC2)cc1	160109197	JUGDGXRJKLEWFG-UHFFFAOYSA-N	380.893	4.535	70	10	GJIE	
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@H](C)c2c(F)cccc2F)n1	160508705	MIEUHTJYYYOXKX-QGZVFWFLSA-N	395.453	4.704	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N(C[C@@H]1CCCO1)C1CCCC1)c1ccco1	160731377	HWNXSCPMVJETKP-PGRDOPGGSA-N	398.503	4.511	70	10	GJIE	
CCN[C@H](CSc1ccccc1Br)c1c(Cl)cnn1CC	160776538	JJDKJNNBGFEULI-CYBMUJFWSA-N	388.762	4.762	70	10	GJIE	
COc1cc(NC(=O)Nc2ccccc2-c2cn3ccsc3n2)cc(OC)c1	218658695	CRXPUDJTVDAEPD-UHFFFAOYSA-N	394.456	4.724	70	10	GJIE	
Cc1c(C#C[Si](C)(C)C)cc(I)cc1C[B-](F)(F)F	1887521155	VBMJOMXUTPPUKM-UHFFFAOYSA-N	395.067	4.758	70	10	GJIE	
Cc1ncnc(N(Cc2ccccc2)[C@H](C)c2cccs2)c1[B-](F)(F)F	2052604860	VELMXTJUEQKFLM-CQSZACIVSA-N	376.236	4.669	70	10	GJIE	
C=CCC[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2102102256	BOLFUGGZDYNTRN-MRVPVSSYSA-N	388.110	4.764	70	10	GJIE	
O=C(c1c(Cl)cccc1Br)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194131598	BWKFZFQKPPUALB-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
CN(Cc1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1)C(=O)OC(C)(C)C	2190459065	LHDHOXUNJUPAOD-MRXNPFEDSA-N	399.242	4.507	70	10	GJIE	
Cc1ccc(COc2ccccc2-c2nc(C)c(S(=O)(=O)Cl)s2)cc1	103847531	AAGJOFYMRGFHFI-UHFFFAOYSA-N	393.917	4.933	70	10	GJIE	
COc1cc(/C=C/C(=O)N2CCCC[C@@H](c3ccccc3)C2)cc(OC)c1OC	217287539	OAFJCNFSSUNVCG-DRUFCSCSSA-N	395.499	4.522	70	10	GJIE	
CCOc1ccccc1NC(=O)NCc1ccc(C(=O)c2ccccc2)s1	217294675	GUGUVBPMMBFTFL-UHFFFAOYSA-N	380.469	4.700	70	10	GJIE	
CC(C)N(CCc1nccs1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1	159898076	KPBYBYOCFOFHTN-UHFFFAOYSA-N	396.438	4.665	70	10	GJIE	
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218544329	ZGPPEPCRMNRRCE-CYBMUJFWSA-N	381.432	4.608	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	159443820	LEVXIPZFMJQWCU-ZWKOTPCHSA-N	389.499	4.788	70	10	GJIE	
O=C(Cc1csc2ccc(Cl)cc12)Nc1cccc(N2CCOCC2)c1	159954720	JLMFRKRBYLIZFG-UHFFFAOYSA-N	386.904	4.573	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccc(Br)cc1	217315407	XLLKDFGVUMQKOQ-AWEZNQCLSA-N	391.309	4.717	70	10	GJIE	
F[B-](F)(F)c1cnc(N2CCC[C@H](OCc3ccccc3)C2)c2sccc12	2129806533	YXSVIKQSXKQDOK-HNNXBMFYSA-N	391.247	4.536	70	10	GJIE	
C=C(Br)CCOc1ccc(S(=O)(=O)Cl)cc1C(C)(C)C	2163424445	YKAOORFCDNKMEX-UHFFFAOYSA-N	381.719	4.589	70	10	GJIE	
CC(C)(C)C[C@@H](CC(=O)N1CC[C@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342473331	HEGFQJAMKXGTQQ-ACJLOTCBSA-N	393.279	4.546	70	10	GJIE	
CC[C@H]1CCC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	112694503	JMURTRMACOIMNR-QWRGUYRKSA-N	381.719	4.724	70	10	GJIE	
CC1(CNC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)COC1	160098098	AVSTZJCGFYDZSJ-UHFFFAOYSA-N	380.366	4.656	70	10	GJIE	
O=C(NCCc1ccc(Br)cc1)Nc1ccc(-n2cccc2)cc1	217303537	ATFSOISLWZVQJS-UHFFFAOYSA-N	384.277	4.604	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2)cc1Cl	1912218388	GZFJHDYMGHQBJD-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
O=S(=O)(Cl)CCCCCOc1ccc2ccccc2c1Br	112357008	ZBJIUNKEMSDRAC-UHFFFAOYSA-N	391.714	4.720	70	10	GJIE	
CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CCCc3cc(F)ccc32)c1	159712678	BAFVCWKYZNAKMO-KRWDZBQOSA-N	375.831	4.637	70	10	GJIE	
CC[C@@H](NC)c1nnc(-c2cc(C(F)(F)F)ccc2Br)s1	159901562	LCZVUMIGXUUWIZ-SNVBAGLBSA-N	380.233	4.657	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C)o1	160204683	SQGVXMWGLBWKCH-SFHVURJKSA-N	379.464	4.626	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)o1	160712217	DDNLMXASIQXAHU-VQTJNVASSA-N	384.476	4.769	70	10	GJIE	
CC[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1	161173840	BYGITSIQXNXXEB-SKDRFNHKSA-N	391.846	4.883	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2237313653	QOLPKXMJXHZCBN-YJYMSZOUSA-N	397.226	4.796	70	10	GJIE	
CN[C@H](CSc1cccc(Br)c1)c1c(Cl)cnn1C(C)C	160781660	MWODVVYZQDZWAG-CQSZACIVSA-N	388.762	4.933	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1	217266406	OUSCPEQZCYMRRQ-UHFFFAOYSA-N	393.237	4.937	70	10	GJIE	
CCCC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(OC)cc1	160707626	SKFFAZBYRHTFFH-GOSISDBHSA-N	375.538	4.576	70	10	GJIE	
CC[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(OC(F)F)cc1	161075428	MQWCMANYKOUWMG-OAQYLSRUSA-N	398.453	4.739	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)cc1	216766218	WZMWURQTSLQHLI-ZDUSSCGKSA-N	394.393	4.717	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2cccc(Cl)c2)cc1	217299609	RTCHRPUFVAPZIK-UHFFFAOYSA-N	388.939	4.948	70	10	GJIE	
C[C@H](NC(=O)NCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2	217314974	VIJHPEZCTTYHBF-UGFPPAMCSA-N	391.353	4.853	70	10	GJIE	
Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)cc(S(=O)(=O)Cl)c1	2095896638	VTWZWMWINAPIRL-INIZCTEOSA-N	393.936	4.609	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OC/C(Cl)=C\Cl)c2nc(Cl)ccc12	136827789	NLCFEXKDLAFDBY-FNORWQNLSA-N	387.071	4.514	70	10	GJIE	
CCc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1	217280356	OYWYMYBGUYNCLK-CQSZACIVSA-N	393.487	4.526	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc2ncsc2c1	217294760	QQKNLLXNLZELQY-UHFFFAOYSA-N	384.507	4.580	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(F)c(F)c2F)cc1	217299573	OFUIHCCXABKYJB-UHFFFAOYSA-N	380.410	4.992	70	10	GJIE	
COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1	218664286	SYGZWPIISXIAOZ-UHFFFAOYSA-N	388.514	4.545	70	10	GJIE	
CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nccs1	159928860	ULHPBFASYQBBSS-JTQLQIEISA-N	385.725	4.533	70	10	GJIE	
O=C(Cc1nc2ccccc2o1)c1cc(Br)ccc1Br	160797187	KCZMBXHTYMBVQX-UHFFFAOYSA-N	395.050	4.778	70	10	GJIE	
O=C(CSCc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1	217293389	ZELZMFBEFBRCCZ-UHFFFAOYSA-N	387.551	4.590	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)s1	159411751	WEGCFTYKYUEPJY-HXUWFJFHSA-N	383.492	4.564	70	10	GJIE	
CC[C@@H]1CCCCCN1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1	159512667	SIIMZPUPDCUMDL-GOSISDBHSA-N	384.480	4.788	70	10	GJIE	
CC[C@@H](N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)c1nccs1	161154872	OMRBUTDIXMFOAL-YLJYHZDGSA-N	395.528	4.881	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCCC1CC1	406093664	DPZFSCDTWLDGES-UHFFFAOYSA-N	388.110	4.599	70	10	GJIE	
CCCCOc1ccc(Cl)cc1-c1nc(C)c(S(=O)(=O)Cl)s1	103841000	GCPFZDSKCZXSIB-UHFFFAOYSA-N	380.318	4.878	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N(Cc1ccccc1)CC(F)F	160231217	WJEOOPRIFOSUCB-UHFFFAOYSA-N	381.426	4.726	70	10	GJIE	
CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1c(C)noc1C	160261297	AVTCSDMXJFIPCO-ILXRZTDVSA-N	382.382	4.561	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@H](Cc2ccccc2)c2sccc2C)s1	161393716	LGHRZMIVGFLUQB-GOSISDBHSA-N	399.585	4.989	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1	2133915573	KJTALACSCKNYDL-CYBMUJFWSA-N	385.215	4.796	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)ccc1Cl	2319681270	YKFVEYAVTHBDNC-LLVKDONJSA-N	391.606	4.751	70	10	GJIE	
Cc1ccc(Br)cc1[C@H](N)Cc1cc(Br)ccc1F	160419216	RQZIBYDZJNOSPB-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160877999	XYVOCNPREBYZJC-KUHUBIRLSA-N	383.492	4.603	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n1	161444961	DOKXLJXQAKSHEU-CABCVRRESA-N	382.414	4.616	70	10	GJIE	
COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1ccccc1-c1csc(C)n1	218584933	DQDXTMRDDHLPKV-AWEZNQCLSA-N	382.485	4.842	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194129580	LHGGJSQGMHHBGX-LQXVFJQRSA-N	392.250	4.602	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)Cc2csc(-c3cccs3)n2)n1	161387927	MBYRTWNWQQHLPL-UHFFFAOYSA-N	380.498	4.547	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)NC(=O)NCc1ccc(Br)cc1	217292600	GFIDGMMMQMICJS-AWEZNQCLSA-N	391.309	4.797	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](C)Oc1ccc(Cl)cc1	217294727	AGRMXZZAPRJYIA-CABCVRRESA-N	376.884	4.832	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OC1CCCCCC1	2191421755	MIZPBEXNDZWWBZ-UHFFFAOYSA-N	385.682	4.862	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342480341	NVXSCTXVGUTIAN-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
CCOc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)cc1	109526738	IRYIVJDAZAJAQF-UHFFFAOYSA-N	391.670	4.568	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC1CCCC1	383592124	LLUMFANYOGDEAQ-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
C=CCCC[C@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)c1ccccc1	1132439070	QJOKHVJXOAKEEV-SFHVURJKSA-N	393.455	4.704	70	10	GJIE	
Cc1cc([C@@H](N)Cc2cc(Br)ccc2F)ccc1Br	160392264	KIUWDNBVBXLNRY-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
C[C@@H](NCc1nc(-c2c(F)cccc2F)cs1)c1ccc(-n2cncn2)cc1	161416177	GDSMRBPHKZAADZ-CYBMUJFWSA-N	397.454	4.520	70	10	GJIE	
CC(C)c1cc(S(=O)(=O)Cl)ccc1OC[C@H](C)COCc1ccccc1	719545295	WOPTWUWIGPLHFG-MRXNPFEDSA-N	396.936	4.969	70	10	GJIE	
O=S(=O)(Cl)C[C@H](c1ccc(Br)c(C(F)(F)F)c1)C1CC1	1951919049	NCGPSSKQEDXXRH-VIFPVBQESA-N	391.636	4.530	70	10	GJIE	
C[C@@H](NC(=O)N[C@H]1CCCc2cc(F)ccc21)c1ccc(NC(=O)C2CC2)cc1	160353371	WUFGMMXYITZMLE-SZNDQCEHSA-N	395.478	4.612	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2OC)cc1OC	161239060	GWESOKARWLXUOY-CABCVRRESA-N	393.911	4.794	70	10	GJIE	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161456735	HFTCDEVTYOQRAQ-GOSISDBHSA-N	383.448	4.612	70	10	GJIE	
CC(C)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1	217280267	ZEOFSGNCOUOGIQ-UHFFFAOYSA-N	379.460	4.849	70	10	GJIE	
COc1ccc(Cl)cc1C(=O)Nc1ccsc1-c1nc(C2CC2)no1	217286271	DLJBASDABCQMGA-UHFFFAOYSA-N	375.837	4.590	70	10	GJIE	
Cc1cc(I)ccc1NC(=O)N/C=C/c1ccc(F)cc1	218195703	GDXAVIIIPBEJHE-CMDGGOBGSA-N	396.203	4.531	70	10	GJIE	
O=C(NCOc1ccc(Cl)cc1Cl)Nc1cccc(Br)c1	217297356	ZLNXJMDWCVQUDV-UHFFFAOYSA-N	390.064	4.914	70	10	GJIE	
C[C@@H](Cc1cc(Cl)cc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)F	1952834578	PMODTCGDXWANDJ-QMMMGPOBSA-N	386.272	4.571	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCCCC(C)C	2197482294	SEDFDFHGHZYOFX-UHFFFAOYSA-N	383.735	4.754	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC1CCCCCC1	150243829	ODXSHYJKEAFHBE-UHFFFAOYSA-N	381.719	4.787	70	10	GJIE	
CN[C@H](c1cc(Br)ccc1Br)[C@@H](C)c1ccncc1	160807972	KKUZQQDOICBZDX-BONVTDFDSA-N	384.115	4.671	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccccc1OC(F)(F)F	217286599	VOBHVRVZBDCCCD-UHFFFAOYSA-N	395.362	4.826	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1	2368343230	NQTNZCMSEHUYLO-LJQANCHMSA-N	397.226	4.887	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C(=O)N2CC[C@@H]([B-](F)(F)F)C2)cc1	2368349600	ONNFYLPIUXIXTJ-CQSZACIVSA-N	399.242	4.761	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC1C[C@@H](C)C[C@H](C)C1	113948789	QGJYXHAKECQBND-UWVGGRQHSA-N	395.746	4.889	70	10	GJIE	
CCCn1nccc1CNc1c(Br)cc(C)cc1Br	159995296	SSAVKULAZRUWRW-UHFFFAOYSA-N	387.119	4.739	70	10	GJIE	
CC[C@@H](NC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1)c1nccs1	160149437	DXXIXLCEMKVBJI-IEBWSBKVSA-N	380.517	4.581	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCc2ccncc2Cl)c(Cl)c1	215891555	NBNMLNFVKVRPFF-UHFFFAOYSA-N	387.071	4.548	70	10	GJIE	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(Oc2ccccc2)cc1	218150271	QWKLFLNMVNDOOG-QGZVFWFLSA-N	393.512	4.582	70	10	GJIE	
C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1S(=O)(=O)Cl)C(C)(C)C	2095896577	VEVXKOKRDMVJBE-HNNXBMFYSA-N	393.936	4.691	70	10	GJIE	
Cc1ccccc1-c1nc(CSc2nnc(-c3cccc(Cl)c3)n2C)no1	159755630	XWSYSJHZNYNSMH-UHFFFAOYSA-N	397.891	4.786	70	10	GJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)c1ccccc1I	160552127	BQHJPTYPLNINHH-HNNXBMFYSA-N	389.639	4.587	70	10	GJIE	
CN[C@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1OC	160704644	BGBZEJZYJYILSN-OAHLLOKOSA-N	399.126	4.723	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1	160811750	QOBZDKFIJUCFNB-RTBURBONSA-N	390.531	4.982	70	10	GJIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccccc1Cl	217281108	KAMRQRSWRGFHFN-UHFFFAOYSA-N	397.862	4.913	70	10	GJIE	
CC[C@H](C)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F	2052596411	ASSLKCLZAUTYQN-LBPRGKRZSA-N	375.145	4.960	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCC(C)=C(C)C	2197462390	XPULLXDKQIBXCI-UHFFFAOYSA-N	381.719	4.674	70	10	GJIE	
CCN[C@@H](C)c1nnc(-c2cc(C(F)(F)F)ccc2Br)s1	159900854	XFUIEUPCPCVAMS-ZETCQYMHSA-N	380.233	4.657	70	10	GJIE	
CC(C)c1noc(CCCN[C@H]2CCSc3ccc(Br)cc32)n1	160803527	QYGHQTAQEYANHU-AWEZNQCLSA-N	396.354	4.715	70	10	GJIE	
CN[C@H](Cc1ccc(F)cc1Cl)c1ccccc1I	160552261	BQHJPTYPLNINHH-OAHLLOKOSA-N	389.639	4.587	70	10	GJIE	
COc1cccc(-c2ccc(CNC(=O)c3c(-c4ccncc4)noc3C)cc2)c1	161459389	HMQKPFCKIYFKGF-UHFFFAOYSA-N	399.450	4.651	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)NCCCOc1ccccc1Cl	217299930	KVUBVIKMAATFTM-INIZCTEOSA-N	390.911	4.876	70	10	GJIE	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(-c2ccc(F)cc2)cc1	218130956	HTFLWZFHKWTJQX-MRXNPFEDSA-N	395.503	4.596	70	10	GJIE	
Cc1c(I)cc(C[B-](F)(F)F)cc1C#C[Si](C)(C)C	1887505909	ADZTYYICIUQKGB-UHFFFAOYSA-N	395.067	4.758	70	10	GJIE	
COc1cc(N)cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1	159629389	ZSNLLTZQOUCCEP-UHFFFAOYSA-N	390.064	4.599	70	10	GJIE	
Cc1cc(OCCCOCc2ccccc2)c(C(C)(C)C)cc1S(=O)(=O)F	2191428961	TZRHVQRZAQLQFK-UHFFFAOYSA-N	394.508	4.936	70	10	GJIE	
C[C@@H]1C[C@@H]1CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191432561	PIGXUXXKPNBHCT-BDAKNGLRSA-N	385.682	4.576	70	10	GJIE	
CN(C)C(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)c2ccco2)c(Cl)c1	160239842	ZWJFUGDPEIJLGJ-LJQANCHMSA-N	397.862	4.546	70	10	GJIE	
CCc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1	217280357	OYWYMYBGUYNCLK-AWEZNQCLSA-N	393.487	4.526	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCCC1=CCCCC1	384907081	ARKUZLIBEFCSRO-UHFFFAOYSA-N	379.703	4.646	70	10	GJIE	
NC[C@H](c1c(Cl)cccc1Cl)[C@@H](O)c1c(F)cccc1Br	161328039	ANQIRBCVVYSZPP-ANRSDYALSA-N	393.083	4.671	70	10	GJIE	
CCN(C(=O)Nc1ccccc1I)c1cccc(C)c1	217273101	NCYXSAUXULQOMI-UHFFFAOYSA-N	380.229	4.658	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(C(C)=O)cc2)cc(OCC)c1OCC	217274565	GNUSMZSMVXVAIL-UHFFFAOYSA-N	386.448	4.729	70	10	GJIE	
Cc1cc(Oc2ccc(F)c(Br)c2)ccc1S(=O)(=O)Cl	137540827	IHMMMXFKQTWQMQ-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
CN[C@@H](Cc1ccc(Br)s1)c1c(F)c(F)c(F)c(F)c1F	160656732	AFFKKYWZOALBNL-LURJTMIESA-N	386.183	4.709	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1	216755490	KBHFRUAPPVKGJV-ZDUSSCGKSA-N	394.393	4.717	70	10	GJIE	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1cccc(S(=O)(=O)F)c1	1529492414	PMTHTALIHBGFMJ-NTMALXAHSA-N	388.247	4.694	70	10	GJIE	
CC[C@H]1CCC[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	112694506	JMURTRMACOIMNR-WDEREUQCSA-N	381.719	4.724	70	10	GJIE	
CC(C)COc1ccc([C@H](C)NC(=O)CCc2nnc(-c3ccsc3)o2)cc1	159528324	ZLIDZAGRRHJUEM-HNNXBMFYSA-N	399.516	4.643	70	10	GJIE	
Cn1cc(C(=O)c2ccccc2I)c2ccc(Cl)cc21	159616260	KSQJNQFVFKNZGG-UHFFFAOYSA-N	395.627	4.667	70	10	GJIE	
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(N2CCC(C)CC2)c1	159732089	DNIAIMBKOWWXFM-NRFANRHFSA-N	395.551	4.642	70	10	GJIE	
Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCN(c4nccs4)C3)cc2)cc1	218130781	HRIQKOOCSQVIBE-GOSISDBHSA-N	391.540	4.765	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194128050	MXHMQQZMAMCBAJ-DJJJIMSYSA-N	397.226	4.796	70	10	GJIE	
C/C(=C\Br)COc1cc(C(C)C)c(S(=O)(=O)Cl)cc1C	2234894982	PAYCGUWXHQAPSP-JXMROGBWSA-N	381.719	4.723	70	10	GJIE	
CCC[C@H](CC)COc1cc(F)c(S(=O)(=O)Cl)cc1Br	2381649135	IRUPBEAABJCTCN-VIFPVBQESA-N	387.698	4.721	70	10	GJIE	
CN[C@H](CSc1ccccc1Cl)c1c(Br)cnn1C(C)C	160749683	HAYKWRLTGVELIY-CYBMUJFWSA-N	388.762	4.933	70	10	GJIE	
Nc1ccccc1-c1noc(-c2cc(Br)ccc2Br)n1	160905482	HOCRPIIVUKZKIZ-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
CCc1ccc(-c2nc(CC(=O)N3CCO[C@H](c4cccs4)C3)cs2)cc1	161433002	BSPQUOGKRUMGNE-SFHVURJKSA-N	398.553	4.577	70	10	GJIE	
C[C@H]1CC[C@@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@@H]1C	160230331	FJBUICGNRSXANK-LPEHRKFASA-N	399.709	4.719	70	10	GJIE	
Cc1ccc2ccccc2c1[C@@H](N)c1csc(I)c1	160876707	YLDFEPANXLKWAE-INIZCTEOSA-N	379.266	4.862	70	10	GJIE	
Cc1cc(Br)c(C)c(Oc2ccc(S(=O)(=O)Cl)cc2)c1	686552359	FYASXZGHOCQOLO-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1cccc(Oc2ccncc2)c1	159739305	NHMVGRHNQLWKCS-UHFFFAOYSA-N	377.448	4.507	70	10	GJIE	
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H]1CCCc2cc(F)ccc21	160312234	KGYGKUZUNYPYML-HXUWFJFHSA-N	392.434	4.916	70	10	GJIE	
CC(C)CNCc1oc2ccc(I)cc2c1CC(C)C	161202268	YVCOSZZSVQMWIT-UHFFFAOYSA-N	385.289	4.982	70	10	GJIE	
CCOc1ccccc1OCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	217289610	KCCBWZMIXLHOGX-UHFFFAOYSA-N	388.773	4.916	70	10	GJIE	
CCOc1ccc(CCNC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC	217308191	ZQHWIUUDIIWFHR-KRWDZBQOSA-N	396.531	4.576	70	10	GJIE	
C[C@H]1C[C@H](C)CC[C@@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	2152486254	JTVKYRXDRUWKJF-NRUUGDAUSA-N	381.719	4.580	70	10	GJIE	
CC(C)(C)c1ccc(C[C@H](N)c2ccc(I)cc2)cc1	161243282	DVICFJARCVJKKB-KRWDZBQOSA-N	379.285	4.831	70	10	GJIE	
N[C@H](Cc1ccc(F)cc1Br)c1ccc(F)cc1Br	161408958	GHNUVSZBOSDDRK-CQSZACIVSA-N	391.053	4.732	70	10	GJIE	
Cc1cccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2342575470	VWOMOJORCKKIAB-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1	160267947	JJQPPAYNRRPCON-GOSISDBHSA-N	389.540	4.793	70	10	GJIE	
CN[C@@H](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(Br)s1	160707503	LOJSXKJBRWOJFU-LBPRGKRZSA-N	378.257	4.903	70	10	GJIE	
C[C@@H](COCc1ccccc1)COc1ccc(S(=O)(=O)F)c2ccccc12	2191434434	KGFAPOPKTWKVMK-INIZCTEOSA-N	388.460	4.730	70	10	GJIE	
CC(C)CNCc1ncc(-c2cc(Br)ccc2Br)o1	161256233	IKMFFAHMECBJFU-UHFFFAOYSA-N	388.103	4.612	70	10	GJIE	
NC[C@@H](c1ccc(Cl)cc1Cl)[C@@H](O)c1c(F)cccc1Br	161332173	VFCUVLSKOQPVAA-ZUZCIYMTSA-N	393.083	4.671	70	10	GJIE	
O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1[C@H]2C=CC[C@H]1CC2	218762584	YWHROIJEJVGMOP-GJZGRUSLSA-N	375.877	4.614	70	10	GJIE	
O=S(=O)(Cl)c1cccc(Oc2cc(Cl)ccc2Br)c1	708163153	QFGJMXQJDNTITD-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1Cl)c1ccccc1	1288363989	DPDYZAVHLYYQOI-GOSISDBHSA-N	395.883	4.826	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC([B-](F)(F)F)CC1	2231044927	OKUSBEQNEDMMOH-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
O=C(c1ccccc1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)s1	217294126	UUOQDNZOSCGRIO-UHFFFAOYSA-N	379.525	4.812	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCCC(C)(C)C	312172444	ZVEXUQVYOMSPPF-UHFFFAOYSA-N	383.735	4.890	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(C)(C)S(=O)(=O)Cl	1952728768	POVIDMCWFBCKIY-UHFFFAOYSA-N	383.897	4.991	70	10	GJIE	
O=C(c1cc(Br)ccc1Cl)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194120491	KUFFFDCNKRPOGA-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
Brc1ccc2[nH]c(CN[C@@H](c3ccccc3)c3nccs3)nc2c1	160415595	VXZWJXBPAKXCCF-KRWDZBQOSA-N	399.317	4.661	70	10	GJIE	
O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161003398	HQGLABRQBRSDPL-ZFWWWQNUSA-N	386.829	4.788	70	10	GJIE	
Cc1ccc(Br)c([C@H](N)Cc2ccc(F)cc2Br)c1	161433164	KZUKXQDXHITIDS-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
CCCn1cc(CN(CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)cn1	161506181	BOXNHZIZKPASQU-HNNXBMFYSA-N	396.457	4.551	70	10	GJIE	
CC1(C)CC[C@H](COc2ccc(S(=O)(=O)Cl)cc2Br)C1	2367713334	MKISBLZTAUQNFX-JTQLQIEISA-N	381.719	4.582	70	10	GJIE	
Cc1cc(Br)c(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1Cl	2368345151	GRMMLWGAVHCIHV-ZDUSSCGKSA-N	383.424	4.865	70	10	GJIE	
CCC[C@H](CC)COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2381828384	JRHCVTHJSAAAHJ-VIFPVBQESA-N	387.698	4.966	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)cc1	216755878	QLQPLJHTQURKED-CYBMUJFWSA-N	394.393	4.717	70	10	GJIE	
C[C@@H]1CC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@H](C)C1	160221141	BOLDTUONXZNTSJ-ULKQDVFKSA-N	399.709	4.719	70	10	GJIE	
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccccc1)Oc1ccc(O)cc1	217277774	LOCFBQWFKLYUKE-SFHVURJKSA-N	376.456	4.529	70	10	GJIE	
COc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c(OC)c1OC	159383847	YQJVELKJMZGFKN-BBRMVZONSA-N	388.464	4.619	70	10	GJIE	
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C/C=C/c1ccc(C(C)C)cc1	160238725	AJYIASATYLPDBP-BQYQJAHWSA-N	394.515	4.953	70	10	GJIE	
c1ccc(COc2cccc([C@H]3NN=C4CCN(Cc5ccccc5)C[C@H]43)c2)cc1	217076652	KOHIJXDGVZKCAQ-AOYPEHQESA-N	397.522	4.788	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)cc1	217290661	FJDAUSGCCQZFQP-UHFFFAOYSA-N	375.900	4.961	70	10	GJIE	
Cc1cc(Oc2cccc(S(=O)(=O)Cl)c2)cc(C)c1Br	383686430	XTFXQVRIMWMWIR-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
C[C@H]1CCCC[C@@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191426984	WNRHAYKHLKWILC-KWQFWETISA-N	385.682	4.718	70	10	GJIE	
CCC[C@H]1C[C@@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2200565144	MILZWSRFRLVMJD-DTWKUNHWSA-N	385.682	4.576	70	10	GJIE	
CC(C)(C)OC(=O)N[C@@H](CBr)Cc1ccc(C(F)(F)F)cc1	149182861	YYMJBNUSLSATBQ-GFCCVEGCSA-N	382.220	4.536	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N1CCCC[C@@H]1c1nccs1	160220621	QIPIZFKIUIVDLQ-LJQANCHMSA-N	378.501	4.642	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCc2cccc(Br)c2)cc1	217315056	HFGNBAMZIJKAJL-UHFFFAOYSA-N	376.298	4.617	70	10	GJIE	
O=C(NCc1ccc(OCC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21	218116008	DKZYCQCVKAYRHV-GOSISDBHSA-N	378.394	4.505	70	10	GJIE	
Oc1c(Br)cc(CNCCC2=CCCCC2)cc1Br	218405015	NPLWBPHSJUXZPF-UHFFFAOYSA-N	389.131	4.897	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC([B-](F)(F)F)CC2)c1	2231046526	BVDNCUKXPSZVMR-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)CCc1nccs1	159371030	GDWQSQGBPGWHMZ-UHFFFAOYSA-N	395.528	4.829	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1	159445925	XQFRHYHZFQTIRM-QGZVFWFLSA-N	394.544	4.929	70	10	GJIE	
F[B-](F)(F)c1cc(C(F)(F)F)cnc1N(Cc1ccccc1)CC1CCC1	2116131047	RFRQOGLIIPYDNM-UHFFFAOYSA-N	387.156	4.962	70	10	GJIE	
CC1CC(C)(COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2279331086	MZJCVUFWPYKSIW-UHFFFAOYSA-N	385.682	4.576	70	10	GJIE	
Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(COC4CCCC4)cc3)C2)c1	160556726	SGAHZQOECUYHEU-FQEVSTJZSA-N	382.508	4.520	70	10	GJIE	
CCOc1ccc(CCNC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OC	217308192	ZQHWIUUDIIWFHR-QGZVFWFLSA-N	396.531	4.576	70	10	GJIE	
O=C(c1scc(Br)c1Cl)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2264608724	CEBMDCQOGSPCFU-UPONEAKYSA-N	387.437	4.618	70	10	GJIE	
CC[C@H]1CCCC[C@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	111779794	AMUXFNNXJSYLEX-GXFFZTMASA-N	381.719	4.724	70	10	GJIE	
Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c(OCCN(C)C)c1	160681605	DAPFECPFVBSIGO-HKUYNNGSSA-N	385.508	4.534	70	10	GJIE	
Cc1onc(-c2ccccn2)c1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1	161188593	RGKJZIPTUGAHIO-UHFFFAOYSA-N	386.455	4.546	70	10	GJIE	
Cc1ccc(Br)c(C(=O)N(C)Cc2cccc(Br)c2)c1	161479837	HLYGOKQKTMDCCI-UHFFFAOYSA-N	397.110	4.792	70	10	GJIE	
CCc1ccc([C@H](C)NC(=O)Nc2ccccc2I)cc1	217272822	HHYWVLRDAQGNIX-LBPRGKRZSA-N	394.256	4.736	70	10	GJIE	
CCCCOc1ccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1	217292625	FKEGBWGPWJYQMU-UHFFFAOYSA-N	383.469	4.681	70	10	GJIE	
O=C(NCCCc1ccccc1)Nc1ccccc1-c1cn2ccsc2n1	218659007	DAYGYBNEYWPJNP-UHFFFAOYSA-N	376.485	4.817	70	10	GJIE	
C[C@H]1CC[C@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)C1	2098990127	AWZFKWPHPZXIPL-CBAPKCEASA-N	388.110	4.597	70	10	GJIE	
CC(=O)N(Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1)C1CC1	160600217	VAGANPSQHVVQSS-IERDGZPVSA-N	395.503	4.796	70	10	GJIE	
CC(C)C[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	302601939	WICJKHJCWDDSTL-MRVPVSSYSA-N	390.126	4.843	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1F	2133917590	WPECUJLWRFVDDD-LBPRGKRZSA-N	389.178	4.626	70	10	GJIE	
O=C(c1cc(Cl)ccc1Br)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194129174	JMLFYHLUHKKQSA-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC([B-](F)(F)F)CC2)c1F	2231048770	NACFFHBZENAURJ-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
Cc1cc(Br)cc(OCCCCCCCS(=O)(=O)Cl)c1	2294701070	NJJGVGHABGQBBD-UHFFFAOYSA-N	383.735	4.655	70	10	GJIE	
CC(C)[C@@H](C)OC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	126360451	SPBLRODILZXIJX-ZCFIWIBFSA-N	394.103	4.776	70	10	GJIE	
O=C(CCc1cc2ccccc2[nH]c1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	160721049	LVMTWMACFZRCSJ-HSZRJFAPSA-N	392.474	4.648	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(F)cc2F)cc(OCC)c1OCC	217275197	LRNQXQRDKQADMO-UHFFFAOYSA-N	380.391	4.805	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)NCOc1c(C)ccc(C)c1C	217295736	UAMUCOJBIGAMMU-UHFFFAOYSA-N	377.282	4.841	70	10	GJIE	
C[C@H](CC(=O)NCc1ccc(OCc2ccccn2)cc1)c1ccc(F)cc1F	159513774	HTNGZQJKEDZWNN-MRXNPFEDSA-N	396.437	4.749	70	10	GJIE	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2S(=O)(=O)C(C)C)o1	160248222	CFNWSJSLYTXQQM-KRWDZBQOSA-N	390.505	4.529	70	10	GJIE	
Cc1c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cccc1N1CCOC1=O	161462428	DDJODEWZFPISAI-RDTXWAMCSA-N	383.448	4.550	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCCCOCc2ccccc2)c2ccccc12	311937093	HFQBJGPHBZFFHC-UHFFFAOYSA-N	390.888	4.753	70	10	GJIE	
O=C(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194123686	KXIKGBDTHPNPQU-NOZJJQNGSA-N	381.408	4.556	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)ccc1Cl	2319681271	YKFVEYAVTHBDNC-NSHDSACASA-N	391.606	4.751	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N(Cc1ccco1)C1CCCC1	160338967	YDXOYJOIGWVGLM-UHFFFAOYSA-N	375.472	4.996	70	10	GJIE	
O=C(NCc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1	216829996	FQGDADAJEDWVAJ-UHFFFAOYSA-N	398.384	4.784	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1	2095921078	PBKAONJJVHQVNC-UHFFFAOYSA-N	393.936	4.611	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1	2194129302	UNSLFHYGPKBSRS-ORAYPTAESA-N	397.226	4.796	70	10	GJIE	
O=C(c1ccc(Cl)c(Br)c1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194131108	XLYDKSZOGIZFRQ-RNCFNFMXSA-N	381.408	4.556	70	10	GJIE	
O=C(c1cc(F)c(Br)cc1Cl)N1CCC[C@@H]([B-](F)(F)F)C1	2282985119	XJQNHFHIUPAKBR-SSDOTTSWSA-N	387.387	4.695	70	10	GJIE	
CC(C)CCOc1cccc(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c1	159592598	ZOLPAWAOFCXFFU-UHFFFAOYSA-N	398.429	4.528	70	10	GJIE	
O=C(Nc1cccc(CNC(=O)C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1	216829949	SMIMBWCNHGQJRL-UHFFFAOYSA-N	398.384	4.784	70	10	GJIE	
O=C(c1csc(-c2ccccc2)n1)N(Cc1cccs1)C1CCOCC1	217290529	BKEFKEFRVMMVAR-UHFFFAOYSA-N	384.526	4.693	70	10	GJIE	
Cc1c(Cl)cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1Br	2190459291	AIQRLNJPSCJBHF-SNVBAGLBSA-N	383.424	4.865	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C=CS(=O)(=O)Cl	1952289076	LBZKXIAPRIQEDK-UHFFFAOYSA-N	385.791	4.592	70	10	GJIE	
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(-c3ccccn3)c2)s1	160271907	PYXBXOZIZUDQME-INIZCTEOSA-N	394.544	4.979	70	10	GJIE	
COc1cc(Br)ccc1C(=O)Nc1nc(C)c(Cl)cc1Cl	160670896	OWQJAAKEMQNCFS-UHFFFAOYSA-N	390.064	4.720	70	10	GJIE	
CC(C)S(=O)(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218673231	OWCNKQRQKHZHQW-UHFFFAOYSA-N	376.478	4.766	70	10	GJIE	
F[B-](F)(F)c1ccc(C(F)(F)F)c(N2CC[C@H](OCc3ccccc3)C2)c1	2116129481	VKWWHRJCTFQEIV-HNNXBMFYSA-N	388.140	4.555	70	10	GJIE	
Cn1nccc1-c1nc(Cl)c(-c2ccccc2Br)c(Cl)n1	159814307	ANFIELCQXLFUAJ-UHFFFAOYSA-N	384.064	4.613	70	10	GJIE	
CC[C@@H]1CCC[C@@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1	160232628	DCZNWSUKXVUCIB-NXEZZACHSA-N	399.709	4.863	70	10	GJIE	
CN[C@@H](CSc1ccc(Br)cc1)c1c(Cl)cnn1C(C)C	160691885	CPTRRFBSPPDZCJ-AWEZNQCLSA-N	388.762	4.933	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2OC)cc1OC	161239304	GWESOKARWLXUOY-HUUCEWRRSA-N	393.911	4.794	70	10	GJIE	
CCCS(=O)(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1	218671370	GENZYDZBGZXTRY-UHFFFAOYSA-N	376.478	4.768	70	10	GJIE	
CC(=CCl)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	1883142218	LAZSMYALLZCKHV-UHFFFAOYSA-N	394.501	4.551	70	10	GJIE	
C[C@H](CCCc1ccc(NC(=O)OC(C)(C)C)cc1)CS(=O)(=O)Cl	1952629879	XMMZYEXCSOMNJN-CYBMUJFWSA-N	375.918	4.561	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C)o1	160204564	SQGVXMWGLBWKCH-GOSISDBHSA-N	379.464	4.626	70	10	GJIE	
Cc1cccc([C@H](NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)C(C)(C)C)c1	160789401	JCNCSDPMAXRUEO-INIZCTEOSA-N	396.457	4.676	70	10	GJIE	
Cc1ccc(Br)cc1[C@@H](N)Cc1ccc(F)cc1Br	161430803	HFJWACQELBENOH-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
C[C@@H]1CC[C@@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)C1	2098990129	AWZFKWPHPZXIPL-VXNVDRBHSA-N	388.110	4.597	70	10	GJIE	
CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC([B-](F)(F)F)CC1	2231043916	DYBCAJRWMMPFKS-UHFFFAOYSA-N	393.279	4.548	70	10	GJIE	
CC(C)(C)C[C@H](CC(=O)N1CC[C@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342473334	HEGFQJAMKXGTQQ-UGSOOPFHSA-N	393.279	4.546	70	10	GJIE	
CC(C)c1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1S(=O)(=O)Cl	147480456	JXPUIOKVQBEQGP-UHFFFAOYSA-N	388.103	4.883	70	10	GJIE	
CCC1CCC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)CC1	160223494	JHMQGCXSNRAYDG-UHFFFAOYSA-N	399.709	4.863	70	10	GJIE	
Cc1c(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cnn1C1CCOCC1	160303162	MYUZXXBGJXZQAE-QGZVFWFLSA-N	389.499	4.701	70	10	GJIE	
Cc1ccc(NC(=O)NCCCOc2c(C)cccc2C)c(Br)c1	217298331	ITNWSOLCNHEXBA-UHFFFAOYSA-N	391.309	4.965	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(C)(C)S(=O)(=O)F	1952841973	COKAEJAELGRUHJ-UHFFFAOYSA-N	385.379	4.587	70	10	GJIE	
CCCCCOc1ccc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1	217083744	KXOPTQZMFVUXOI-ISKFKSNPSA-N	377.532	4.778	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1cc(Br)ccc1Cl	112356944	OUZXSEDVYCXZCV-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
Cc1nc(NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc(C2CC2)n1	159898868	OIJWVJQJALDQQO-UHFFFAOYSA-N	386.883	4.553	70	10	GJIE	
N[C@H](Cc1cc(Br)ccc1F)c1ccc(Br)c(F)c1	160410494	YBBQUBAWUANGAD-CQSZACIVSA-N	391.053	4.732	70	10	GJIE	
Cc1ccc(NC(=O)N2CCC(c3ccnn3C)CC2)cc1OCCC(C)C	160454977	XCFQCUGOCBLINH-UHFFFAOYSA-N	384.524	4.565	70	10	GJIE	
O=C(Nc1ccccc1CN1CCSCC1)N[C@@H]1CCCc2cc(F)ccc21	160585450	SEYHVWBDJKTKIB-OAQYLSRUSA-N	399.535	4.574	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N1CCCC[C@@H]1c1nccs1)c1ccco1	160714211	LUVQNSIVKAYIFG-APWZRJJASA-N	397.500	4.771	70	10	GJIE	
CCCn1ncc(Br)c1[C@@H](CSc1ccc(Cl)cc1)NC	160763072	GSRMDCAJIUSCPH-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(Cl)c([C@@H](CS(=O)(=O)Cl)C2CC2)c1	1952685721	MYPWEKISWHFLQB-ZDUSSCGKSA-N	394.320	4.749	70	10	GJIE	
CC(C)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F	2052596250	FZJOMDABXAFPQC-UHFFFAOYSA-N	375.145	4.817	70	10	GJIE	
CC(C)=C(Br)Cn1c(C)c(S(=O)(=O)Cl)c2ccccc21	2365881220	GRODHXCQPXMNLR-UHFFFAOYSA-N	376.703	4.566	70	10	GJIE	
Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)c1ccccc1-n1cccn1	159920433	OZVOCIPZSVBELS-CQSZACIVSA-N	386.402	4.665	70	10	GJIE	
C[C@H](NC(=O)Nc1cccc(Oc2ccncc2)c1)c1ccccc1-n1cccn1	160634565	HHMZKCZKMJSMLY-KRWDZBQOSA-N	399.454	4.942	70	10	GJIE	
CCN(C(=O)NCCCOc1ccc(Br)cc1Cl)C(C)(C)C	217299109	WBOWOMHTUZEKIB-UHFFFAOYSA-N	391.737	4.701	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](c1cc(Br)cc(C(F)(F)F)c1)C1CC1	1951877749	ZIARUWURJUOOGX-LLVKDONJSA-N	391.636	4.530	70	10	GJIE	
Cc1cc(Br)c(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1Cl	2190460644	DHGUPRSEWBMXLI-SECBINFHSA-N	383.424	4.865	70	10	GJIE	
CC(C)c1ccc(/C=C/CC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1	160246068	PTXPKOYTBMGXNT-NFOSPISASA-N	385.548	4.790	70	10	GJIE	
CCCn1ncc(Br)c1[C@H](CSc1ccc(Cl)cc1)NC	160763208	GSRMDCAJIUSCPH-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
c1ccc(CN2[C@H]3CC[C@H]2CC(NC2CCN(C4CCCCC4)CC2)C3)cc1	161046624	FTZHJZBFNYPQMP-DQEYMECFSA-N	381.608	4.569	70	10	GJIE	
CC[C@H](N[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1	161157333	MUROMQYLLPMMGI-UZLBHIALSA-N	395.528	4.790	70	10	GJIE	
O=C(NC[C@H]1CCCN1c1ccccc1)c1cc(Br)ccc1Cl	217833474	WRPCYIKCEQJNGP-OAHLLOKOSA-N	393.712	4.501	70	10	GJIE	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	1584352467	FICLHBPSHGZOKG-MDZDMXLPSA-N	388.247	4.694	70	10	GJIE	
C[C@H](N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Cl)c1)C(C)(C)C	2095894632	BPTNUPVREDUBET-HNNXBMFYSA-N	393.936	4.691	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1	159383993	OOCBJBVAEVWQIP-KRWDZBQOSA-N	394.544	4.929	70	10	GJIE	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(-c2ccccn2)c1	160259088	QVFSEBZALZGNDW-HNNXBMFYSA-N	381.426	4.929	70	10	GJIE	
O=C(N/C=C/c1ccccc1Br)NCCc1cccc(Cl)c1	217874475	WNISSVSDAIVWSG-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
C=C(Br)CCOc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl	2044980965	AGTMLQVIZXCIDE-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](C)c1ccc2ccccc2c1	160911125	HJBUPMNYVIDXPD-CYBMUJFWSA-N	389.421	4.635	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Br)c(Cl)c2)cc1	313521830	NXEDUMQITQHWKF-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342472687	DVSUGOOPRWIPCU-KSSFIOAISA-N	393.279	4.548	70	10	GJIE	
C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1c(Cl)ccc(F)c1Cl	160382267	GHOSSESCERPZIS-ZETCQYMHSA-N	399.175	4.774	70	10	GJIE	
Cc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)sc1S(=O)(=O)Cl	103870966	LIQABOLANCJFQN-UHFFFAOYSA-N	383.853	4.977	70	10	GJIE	
N[C@@H](Cc1ccc(F)cc1Br)c1ccc(F)cc1Br	161408844	GHNUVSZBOSDDRK-AWEZNQCLSA-N	391.053	4.732	70	10	GJIE	
Cc1cc(O[C@@H](c2ccccc2Br)[C@@H](C)N)ccc1Br	161495609	KDIUZYRXVIGXMT-BDJLRTHQSA-N	399.126	4.987	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCC1CCC1	398723313	HCICROYJPGIPPX-UHFFFAOYSA-N	388.110	4.599	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C=CCS(=O)(=O)Cl	1952399095	CHAKYDJJVOSRLQ-UHFFFAOYSA-N	381.881	4.769	70	10	GJIE	
CCC(CC)(COc1c(C)cccc1Br)CS(=O)(=O)Cl	2169201709	GOXIUXBKUGYAHR-UHFFFAOYSA-N	383.735	4.511	70	10	GJIE	
CC1(C)CC[C@@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191429018	USPNDEDXVWFIHW-SECBINFHSA-N	385.682	4.718	70	10	GJIE	
Cc1cc(F)ccc1C[C@@H](O)c1cc(Br)ccc1Br	159887087	XNOPJOFSRCHISN-OAHLLOKOSA-N	388.074	4.935	70	10	GJIE	
Cc1c(Br)cccc1[C@H](N)Cc1ccc(F)cc1Br	161392765	QBRCNSQYHMXKLF-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
CCOc1cc(NC(=O)N(CC)Cc2ccccc2)cc(OCC)c1OCC	217274752	OAWVQOQDCXKRAP-UHFFFAOYSA-N	386.492	4.937	70	10	GJIE	
CCC[C@H](COc1cccc(OCc2ccccc2)c1)CS(=O)(=O)Cl	399108762	BHHVLOGZPZGZDW-QGZVFWFLSA-N	382.909	4.629	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1F	2133917589	WPECUJLWRFVDDD-GFCCVEGCSA-N	389.178	4.626	70	10	GJIE	
CC(C)=C(Br)COc1ccc(S(=O)(=O)F)c(Cl)c1Cl	2340313466	NFDJHGBEZSDRAY-UHFFFAOYSA-N	392.073	4.719	70	10	GJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)c1ccc(I)cc1	160571327	AYWZVPLLJPJDQS-HNNXBMFYSA-N	389.639	4.587	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(C)(C)S(=O)(=O)F)c(C(F)(F)F)c1	1952845628	WKEBTXRRHPCZJX-UHFFFAOYSA-N	385.379	4.587	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC([B-](F)(F)F)CC2)c1	2231046713	CREPBJRBNKKIPV-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
CCc1cc(C)c(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)o1	159364234	CUFBKXVBXLPVBU-UHFFFAOYSA-N	378.428	4.664	70	10	GJIE	
CCCn1ncc(Br)c1[C@H](CSc1ccccc1Cl)NC	160750551	UOPCGFPAVFWDIR-ZDUSSCGKSA-N	388.762	4.762	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)ccc21	160805564	HPOZQECLSIGSFP-QFIPXVFZSA-N	391.515	4.972	70	10	GJIE	
Cc1onc(-c2ccccn2)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1	160930993	SFZVIHFFRSJGKI-UHFFFAOYSA-N	380.404	4.560	70	10	GJIE	
CN[C@@H](Cc1ccc(F)cc1Br)c1cc2c(s1)CCSC2	161339012	PVLDITCRMMXLBR-AWEZNQCLSA-N	386.355	4.942	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](c1ccc(C(F)(F)F)cc1Br)C1CC1	1951930441	DUYQETSNFPEHLC-SNVBAGLBSA-N	391.636	4.530	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1	2133915982	LNUVNFCVTHARGB-LLVKDONJSA-N	389.178	4.626	70	10	GJIE	
CC(C)c1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c2cnn(C(C)C)c2n1	160396138	IZWSMVYOGADSNF-KRWDZBQOSA-N	398.551	4.747	70	10	GJIE	
C[C@H]1CCC[C@@H](COc2ccc(Br)cc2S(=O)(=O)Cl)C1	383734734	JCGRUTNWZSVCKX-WDEREUQCSA-N	381.719	4.582	70	10	GJIE	
C[C@H]1CC[C@H](COc2ccc(Br)cc2S(=O)(=O)Cl)CC1	2193084489	YLHFNURAGXXVTM-XYPYZODXSA-N	381.719	4.582	70	10	GJIE	
CCC(CC)C(=O)N1CCC(NC(=O)C/C=C/c2ccc(C(C)C)cc2)CC1	160134380	OYNUVTLTGRHZAY-BQYQJAHWSA-N	384.564	4.757	70	10	GJIE	
CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)CC1	217269103	AEIOPKSKBYLLDU-UHFFFAOYSA-N	386.499	4.749	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)N(Cc1cccs1)C1CCOCC1	217291018	ZGQNBGCCIGHHGV-UHFFFAOYSA-N	380.897	4.623	70	10	GJIE	
O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccco3)n2)C1	161161479	YZGNQPAQYHTGFA-HOTGVXAUSA-N	394.418	4.730	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OC[C@H]1C=CCCCC1	1925862462	MXUUFBPCIXXWSM-NSHDSACASA-N	379.703	4.502	70	10	GJIE	
F[B-](F)(F)[C@@H]1CCN(Cc2cc(Br)ccc2Br)C1	2303102082	QNPGOYLWBZHSIL-SECBINFHSA-N	385.838	4.635	70	10	GJIE	
C[C@H](CC(=O)N(C[C@@H]1CCCO1)c1ccncc1)c1cccc(C(F)(F)F)c1	160007790	KHDPQGYOHRCNQV-BEFAXECRSA-N	392.421	4.806	70	10	GJIE	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	160305743	NFFFYERREODSER-SFHVURJKSA-N	389.540	4.793	70	10	GJIE	
O=S(=O)(Cl)c1cccc(OCc2cc(Cl)ccc2Br)c1	2200739808	KLPHRUSICIBNRU-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC(C)c1ccc(OCC(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1	217293415	UQMFJIQRFVEVAN-UHFFFAOYSA-N	399.537	4.859	70	10	GJIE	
Nc1ccccc1-c1noc(-c2ccc(Br)cc2Br)n1	218734466	LVYNRILQXUQNRJ-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
CC(=O)OC(C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1	585666496	VXBMRNBWDSFSNM-UHFFFAOYSA-N	390.463	4.720	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2268230666	WOQXSGZBJXZHFA-ZDUSSCGKSA-N	385.215	4.796	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC	217308363	CWVPYGHQANZGAW-UHFFFAOYSA-N	383.275	4.765	70	10	GJIE	
COc1ccc(Oc2ccc(-c3nc(C)c(S(=O)(=O)Cl)s3)cc2)cc1	103849746	PIKDRKPAFYOEAB-UHFFFAOYSA-N	395.889	4.847	70	10	GJIE	
CCCCCCCOC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1	115810718	AARXBAJHVBJFGV-UHFFFAOYSA-N	397.718	4.504	70	10	GJIE	
CCN(C(=O)N[C@@H](c1ccco1)c1ccccc1OC)[C@H](C)c1cccnc1	160781090	KXRQAKKETVWASM-IIBYNOLFSA-N	379.460	4.565	70	10	GJIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccc(F)cc1F	217281441	OAAOGMNWOZMDFA-UHFFFAOYSA-N	399.397	4.538	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1ccc(C(F)(F)F)cc1	217294162	RGGBAMGTZIRHNV-UHFFFAOYSA-N	389.398	4.928	70	10	GJIE	
C[C@@H](CCOc1ccc(OCc2ccccc2)cc1)CCS(=O)(=O)Cl	303148935	USCMBRMMCFTSFA-INIZCTEOSA-N	382.909	4.629	70	10	GJIE	
CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)s1	159835973	WOXIQZOAEVTJIJ-UKRRQHHQSA-N	376.522	4.685	70	10	GJIE	
CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1cccc(-c2ccccn2)c1	160218404	BDFXACJTMNMGBJ-UHFFFAOYSA-N	397.425	4.692	70	10	GJIE	
CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1	161398060	YJXHTPRTQGYRDX-YPMHNXCESA-N	397.466	4.523	70	10	GJIE	
Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C)c1	217279544	OFBLDKCHCCBXON-UHFFFAOYSA-N	379.460	4.508	70	10	GJIE	
O=C(CSc1ccc(F)cc1)Nc1ccsc1-c1nc(C2CC2)no1	217286450	DDWZZJXVFSWNSZ-UHFFFAOYSA-N	375.450	4.545	70	10	GJIE	
CN[C@H](CSc1ccccc1Br)c1c(Cl)cnn1C(C)C	160773460	BMYIYTZPVGSPKA-CYBMUJFWSA-N	388.762	4.933	70	10	GJIE	
COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1	161064289	FTFKGRRQJBZAOT-QAPCUYQASA-N	384.476	4.735	70	10	GJIE	
Cc1nc(COc2ccc(S(=O)(=O)Cl)c(Cl)c2Cl)sc1C	215819912	UXEMRXBHMWMRIX-UHFFFAOYSA-N	386.709	4.573	70	10	GJIE	
Cc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1	159637441	YOJWBIUWMFADPN-XJKSGUPXSA-N	395.425	4.579	70	10	GJIE	
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C1CCC(F)(F)CC1	160779664	LLPUKFNRGQCKTE-OAHLLOKOSA-N	378.463	4.774	70	10	GJIE	
O=C(c1cc(Cl)cc(Br)c1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194123693	KXIKGBDTHPNPQU-ZANVPECISA-N	381.408	4.556	70	10	GJIE	
Cc1nc(C(C)(C)NC(=O)NCc2cccc(-c3ccccn3)c2)sc1C	160172482	CFBDNSCVONTESS-UHFFFAOYSA-N	380.517	4.556	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1cccc(CCC(F)(F)F)c1	160449415	QGOFJWZTGJDGFW-UHFFFAOYSA-N	380.414	4.815	70	10	GJIE	
COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1c1nccs1)c1ccco1	160714462	LUVQNSIVKAYIFG-LPHOPBHVSA-N	397.500	4.771	70	10	GJIE	
O=c1ccccn1Cc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1	161054792	RBUQGCBQSKGBJZ-NRFANRHFSA-N	394.902	4.554	70	10	GJIE	
CCc1noc(C)c1NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1	161264360	CGAYJPZHDKIJER-UHFFFAOYSA-N	392.175	4.971	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1	217283482	QGHOJQJMEALIDN-MJGOQNOKSA-N	379.504	4.602	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)Nc1c(F)cc(Br)cc1F	160205059	SCBVPXSBKXZREB-UHFFFAOYSA-N	390.611	4.571	70	10	GJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccccc1I	161183603	XNIDIUWENJXKGZ-MRXNPFEDSA-N	385.314	4.808	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc([C@H](CS(=O)(=O)Cl)C2CC2)cc1Cl	1952684918	JOYWZBVTTXLPND-GFCCVEGCSA-N	394.320	4.749	70	10	GJIE	
Cc1cccc([C@H](NC(=O)CCC(=O)c2ccc(F)c(F)c2)c2ccccn2)c1	159892897	WYFSXIQKGJBTFR-QHCPKHFHSA-N	394.421	4.537	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1	160205526	WIKTYPHXVMZZFN-QAPCUYQASA-N	379.464	4.563	70	10	GJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2cccc(I)c2)cc1	161251763	UAWHEQNOYHQRIG-QGZVFWFLSA-N	379.285	4.831	70	10	GJIE	
Cc1ccccc1CSc1nc(Cl)c2c(n1)S[C@@H]1CN(C)CC[C@@H]21	216764481	TUIOBBHTDWPCCR-ZIAGYGMSSA-N	377.966	4.624	70	10	GJIE	
CCOc1ccccc1OCNC(=O)N(Cc1ccccc1)Cc1ccccc1	217289675	GNNUKXCJPSMBQP-UHFFFAOYSA-N	390.483	4.834	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1	2231048685	NNOSTMJCTRAZIO-UHFFFAOYSA-N	385.215	4.512	70	10	GJIE	
O=S(=O)(Cl)c1cccc(OCc2cc(Br)ccc2Cl)c1	2295177828	QSBYJLMFNSTSIN-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
Cc1cc(OCNC(=O)Nc2ccc(Br)cc2)cc(C)c1Cl	217290306	FJLCZCOZNKGNIK-UHFFFAOYSA-N	383.673	4.877	70	10	GJIE	
O=C(/C=C/c1ccccc1Cl)N(CCc1cccs1)C1CCOCC1	217291204	NSULBIORNGXBRD-BQYQJAHWSA-N	375.921	4.665	70	10	GJIE	
C[C@@H]1CCC[C@H]([C@@H](NN)c2cc(Br)c(Br)s2)C1	217321721	XPVORHKDUJNVSU-VHSKPIJISA-N	382.165	4.604	70	10	GJIE	
Cc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)sc1S(=O)(=O)Cl	103849330	OQIYNVOMRUHVJK-UHFFFAOYSA-N	397.880	4.764	70	10	GJIE	
Cc1c([C@@H](C)NCCCc2nc(C(C)C)no2)cnn1-c1cccc(Cl)c1	160760365	QUTHYIXYSQGGRQ-CQSZACIVSA-N	387.915	4.624	70	10	GJIE	
CC(C)[C@H](COc1c(Cl)cc(Cl)cc1Cl)CS(=O)(=O)Cl	115569840	SZGWKYFAFDDJKH-MRVPVSSYSA-N	380.120	4.866	70	10	GJIE	
C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(-c2ccncc2)c1	161084864	NCSYSZGFWWMJEO-FQEVSTJZSA-N	395.506	4.809	70	10	GJIE	
CC(C)c1ccc(CN(C(=O)NCCCc2nc(C(C)C)no2)C2CC2)cc1	161183040	YBEFQIGPAHOMNM-UHFFFAOYSA-N	384.524	4.623	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(N)cc2Cl)cc(OCC)c1OCC	217274586	RCAXFLLUJUIVOB-UHFFFAOYSA-N	393.871	4.762	70	10	GJIE	
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218545537	MYGNQDXIJISJTJ-ZDUSSCGKSA-N	381.432	4.608	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(Cl)ccc1[C@H](CS(=O)(=O)Cl)C1CC1	1952681759	BFEOTLLTAUKKMH-CYBMUJFWSA-N	394.320	4.749	70	10	GJIE	
CC1(C)CC[C@@H](COc2ccc(S(=O)(=O)Cl)cc2Br)C1	2367713337	MKISBLZTAUQNFX-SNVBAGLBSA-N	381.719	4.582	70	10	GJIE	
Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccccc3-n3cccn3)o2)cc1C	160794379	KKBBRQPBJWMANG-ZWKOTPCHSA-N	387.487	4.951	70	10	GJIE	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161463810	XDSOULHSSDIZNN-AUUYWEPGSA-N	397.475	4.858	70	10	GJIE	
C[C@H](NC(=O)N[C@@H](C)Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	217294656	XIVMZLATFCHSLM-VPGYMZKXSA-N	376.928	4.969	70	10	GJIE	
Cc1c(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cnn1CC(C)C	161156450	SGLDVLQWBPCBBP-UHFFFAOYSA-N	389.805	4.694	70	10	GJIE	
CC[C@H](C)c1cc(S(=O)(=O)Cl)ccc1OCC(C)=CBr	2234890923	FTRRHKBMHJGHDD-NSHDSACASA-N	381.719	4.805	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)cc1Cl	2319680379	PJDQXFSARMPZLL-LLVKDONJSA-N	391.606	4.751	70	10	GJIE	
O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccoc3)n2)C1	161079191	JEXLDLMGKHLBJD-IRXDYDNUSA-N	394.418	4.730	70	10	GJIE	
Cc1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)cc1OCCC(C)C	160446364	JUZHZQJPOPDKEO-UHFFFAOYSA-N	384.524	4.561	70	10	GJIE	
CC(C)(C)[C@@H](NC(=O)CCc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1	160730112	GULHEDNNEHGZPN-NRFANRHFSA-N	380.463	4.503	70	10	GJIE	
C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@]2(O)CCCC[C@@H]2C1	161137538	PKCJQHZFOFOFNE-VLXJIEOASA-N	396.318	4.731	70	10	GJIE	
O=C(Nc1ccc(CNC(=O)C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1	216788137	GOYBUEPEWUWVDA-UHFFFAOYSA-N	398.384	4.784	70	10	GJIE	
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160876560	LPMXLKSFETWMIZ-YWZLYKJASA-N	397.519	4.857	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCC(F)=C1CCC1	2201561219	JQIJPIQISWWRTB-UHFFFAOYSA-N	387.629	4.547	70	10	GJIE	
CC[C@@H]1C[C@@H]1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2236504346	VRBXPMRLVZRINV-BDAKNGLRSA-N	385.682	4.576	70	10	GJIE	
CCCC[C@@H](CC)OC(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1	2271372473	DAGXMXLVMSWMFB-MRXNPFEDSA-N	397.924	4.590	70	10	GJIE	
CC[C@H]1CCC[C@@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	112694523	MRFOPPFOLBLEJK-CMPLNLGQSA-N	381.719	4.724	70	10	GJIE	
CCCC(CCC)(COc1ccccc1Br)CS(=O)(=O)Cl	115567723	DOHVDXZOVSHEMF-UHFFFAOYSA-N	397.762	4.983	70	10	GJIE	
CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1	159378049	DCDYQZSKEUNDIN-YLJYHZDGSA-N	380.536	4.636	70	10	GJIE	
CCN(C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)[C@H](C)c1cccnc1	161058159	MEJCHJLHXCSURM-QGZVFWFLSA-N	389.503	4.835	70	10	GJIE	
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1csc([C@@H]2CCCO2)n1	161091075	BWCHIQUUIIDQIQ-SFHVURJKSA-N	390.468	4.790	70	10	GJIE	
Cc1cc(C)c(NC(=O)Nc2ccccc2I)c(C)c1	217272839	GTTUGFYQNZMXIB-UHFFFAOYSA-N	380.229	4.860	70	10	GJIE	
C[C@H](N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(I)cc1	218207977	YDEHYPVQMSIACN-IRPKPBBOSA-N	381.301	4.767	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1	2190466385	ZQEXYFPCTSQHST-OAHLLOKOSA-N	397.226	4.887	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C	160807401	ZVHMCJNAKUYUOK-ZDUSSCGKSA-N	380.941	4.999	70	10	GJIE	
Cc1ccc(Br)c(C(=O)N(C)Cc2ccccc2Br)c1	161479953	AMVWISGIKMPAAR-UHFFFAOYSA-N	397.110	4.792	70	10	GJIE	
Cc1cc(NC(=O)NCc2ccn(C3CCCC3)n2)ccc1OCC(F)(F)F	159922942	ZGVBPFWXAAHVKY-UHFFFAOYSA-N	396.413	4.569	70	10	GJIE	
CC(C)c1nc(C2(NC(=O)c3ccc(CCC(F)(F)F)cc3)CCCC2)no1	160509921	HPSQRKOXJRVYDT-UHFFFAOYSA-N	395.425	4.887	70	10	GJIE	
CCCN(CC)CCN[C@H](C)c1ccc(Br)cc1Br	217671366	GGEAHUPUODCODR-GFCCVEGCSA-N	392.179	4.594	70	10	GJIE	
O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CCC[C@@H]1c1ccco1	160648386	OODUBYYXXBPRFT-MRXNPFEDSA-N	388.830	4.686	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)o1	160712089	DDNLMXASIQXAHU-PMACEKPBSA-N	384.476	4.769	70	10	GJIE	
O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cc(-c3cccs3)on2)C1	161088888	MEJWQXZEDUZZPL-HOTGVXAUSA-N	394.418	4.730	70	10	GJIE	
CCOc1ccc(CCNC(=O)N/C=C/c2ccc(Cl)cc2)cc1OCC	218248913	ZESCBSWUUJJDNO-ACCUITESSA-N	388.895	4.650	70	10	GJIE	
F[B-](F)(F)c1cnc(N2CCC[C@@H](OCc3ccccc3)C2)c2sccc12	2129806534	YXSVIKQSXKQDOK-OAHLLOKOSA-N	391.247	4.536	70	10	GJIE	
ClC[C@H](O[C@H](CCl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	82021799	AQTWOCCPBLHBEY-ZXZARUISSA-N	377.737	4.958	70	10	GJIE	
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC[C@H](c2ccc(F)cc2)C1	217289505	UWCOMBHIBYUREC-AWEZNQCLSA-N	385.863	4.577	70	10	GJIE	
CCCC1(COc2ccc(S(=O)(=O)Cl)cc2Br)CCC1	2189625134	ZKXXMRKYWPTCEQ-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
Cc1noc(CCCC(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1	159639811	ZWLQFLPYQFOIOA-ZJSXRUAMSA-N	389.499	4.678	70	10	GJIE	
COc1ccc(I)cc1C(=O)C1C2CC3CC(C2)CC1C3	160112899	BLHZZUUZEVGSJU-UHFFFAOYSA-N	396.268	4.555	70	10	GJIE	
Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2O[C@H](C)c2ccccc2)n[nH]1	160395405	ZLRUKPVGBXZCNC-NVXWUHKLSA-N	378.476	4.611	70	10	GJIE	
C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccccc1C(F)(F)F	161066473	PFKJHQRMZRMZFL-INIZCTEOSA-N	386.417	4.766	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)C)C2=O	217279038	YBLMDBWQYUFUPS-UHFFFAOYSA-N	379.460	4.767	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)CC1CCC1	2360321176	OBXKLDFJGLGIEU-JTQLQIEISA-N	381.719	4.643	70	10	GJIE	
O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccco3)n2)C1	161161660	YZGNQPAQYHTGFA-CVEARBPZSA-N	394.418	4.730	70	10	GJIE	
CC[C@H](C)c1cc(S(=O)(=O)Cl)ccc1OCCOCc1ccccc1	304646447	TUKMWACOPBYXDB-HNNXBMFYSA-N	382.909	4.723	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCCc2ccccc2Br)cc1	217390380	KVZZFCPTYBHPSM-UHFFFAOYSA-N	390.325	4.660	70	10	GJIE	
O=C(CCc1c(Cl)cccc1Cl)NC[C@H]1CCCN1c1ccccc1	217824674	IKRVWDRBNFFAHM-MRXNPFEDSA-N	377.315	4.711	70	10	GJIE	
Cc1ccc(I)c(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1	159969132	KXABGXFNEYHDSU-UHFFFAOYSA-N	390.224	4.642	70	10	GJIE	
CN[C@H](Cc1cc(Br)ccc1F)c1cc2c(s1)CCSC2	160245277	IJWTYXHPLSVJMA-CQSZACIVSA-N	386.355	4.942	70	10	GJIE	
C[C@H](Oc1ccc(S(=O)(=O)Cl)cc1Br)c1ccccc1	312220888	AJXIXBNVKFESGG-JTQLQIEISA-N	375.671	4.517	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1	160205400	WIKTYPHXVMZZFN-YJBOKZPZSA-N	379.464	4.563	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@H](c1ccccc1F)C1CCCC1	159737209	ZRAJKXQXWMUCDP-IBGZPJMESA-N	375.513	4.788	70	10	GJIE	
CC(C)c1cc(S(=O)(=O)Cl)ccc1OCCCOCc1ccccc1	310873662	MIYYGJLVIZOHFM-UHFFFAOYSA-N	382.909	4.723	70	10	GJIE	
C[C@@H]1CC[C@H](COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191429102	VMLYGADGCSZVPL-BDAKNGLRSA-N	385.682	4.576	70	10	GJIE	
O=C(Nc1cccc(CN2CCCCC2=O)c1)N[C@@H]1CCCc2cc(F)ccc21	160740326	CRFUMFJGUHVUKQ-OAQYLSRUSA-N	395.478	4.537	70	10	GJIE	
CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160876427	LPMXLKSFETWMIZ-FOIQADDNSA-N	397.519	4.857	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2368342194	FEAFTWWNROAELE-LJQANCHMSA-N	399.242	4.806	70	10	GJIE	
O=C(Nc1cccc(COCc2ccco2)c1)N1CCC(C2CCOCC2)CC1	160988081	IITVEHQKZPLEIQ-UHFFFAOYSA-N	398.503	4.667	70	10	GJIE	
O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCO[C@H](c2cccs2)C1	161362160	GPSFESWRELHBIY-ZDUSSCGKSA-N	381.284	4.750	70	10	GJIE	
O=C(NCCCOc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1	217299894	XWPIOXHBYLICNG-UHFFFAOYSA-N	386.923	4.773	70	10	GJIE	
Cc1ccc(Br)cc1Oc1ccc(S(=O)(=O)Cl)c(C)c1	228332160	JXENEESOBXSULV-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
O=S(=O)(Cl)C[C@H](COc1ccc(OCc2ccccc2)cc1)C1CCC1	2089764108	NSBNYDJOESSVKR-SFHVURJKSA-N	394.920	4.629	70	10	GJIE	
C[C@H]1CCC[C@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191422342	SHYLYVLUJVLCJF-WPRPVWTQSA-N	385.682	4.718	70	10	GJIE	
C[C@H](Cc1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)S(=O)(=O)F	1952833367	JDIPSJHWCILWRW-MRVPVSSYSA-N	386.272	4.571	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CCC[C@H]1C	2149832648	MLFIDQAMIHKTQO-MWLCHTKSSA-N	381.719	4.500	70	10	GJIE	
Cc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1	160487468	QJYZXAKWQYELJM-OAHLLOKOSA-N	396.516	4.645	70	10	GJIE	
Cc1c(Br)cccc1[C@@H](N)Cc1ccc(F)cc1Br	161392902	QBRCNSQYHMXKLF-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)NCc1cccc(Br)c1	217314981	BJXBGUBWNVTFQX-AWEZNQCLSA-N	391.309	4.717	70	10	GJIE	
COc1ccc(NC(=O)N/C=C/c2ccccc2Br)cc1Cl	217836996	HYFPIKSEDAJJPR-CMDGGOBGSA-N	381.657	4.904	70	10	GJIE	
CCOc1ccc(Br)cc1[C@H](N)c1ccc(C)cc1Br	161010951	KQFAXFYTFJABFW-MRXNPFEDSA-N	399.126	4.967	70	10	GJIE	
CC(=O)Nc1cc(NC(=O)c2c(C)[nH]c3ccc(Cl)cc23)ccc1Cl	161279060	GSKZSMXQMITHRW-UHFFFAOYSA-N	376.243	4.994	70	10	GJIE	
O=C(NCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	217587799	BUGGEEDKJMOHPE-UHFFFAOYSA-N	391.559	4.684	70	10	GJIE	
O=S(=O)(F)c1cc(Cl)c(OCCCOCc2ccccc2)cc1Cl	2016786522	QMAVKLLDZNEIMW-UHFFFAOYSA-N	393.263	4.637	70	10	GJIE	
Cc1ccccc1COc1c(C)cc(Br)cc1S(=O)(=O)Cl	109150588	RWHLUTHESSCQKI-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
C[C@@H]1CCC[C@@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191425113	AAWLRDVRAURTAU-RKDXNWHRSA-N	385.682	4.576	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1(C)CCC1	2197480671	IXYFLCRGGAHLEL-UHFFFAOYSA-N	381.719	4.508	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)c1C	2342486779	YTMYGDBBWOPMCH-ZDUSSCGKSA-N	385.215	4.714	70	10	GJIE	
Cc1nc(-c2ccccc2NC(=O)C2(c3ccccc3)CCOCC2)cs1	218588690	UNUZSXIBCXHJEQ-UHFFFAOYSA-N	378.497	4.805	70	10	GJIE	
C[C@@H]1CCC[C@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2118894492	VEDCMANZCCDEQT-GMSGAONNSA-N	388.110	4.597	70	10	GJIE	
Cc1c([C@H](C)NCCCc2nc(C(C)C)no2)cnn1-c1cccc(Cl)c1	160760496	QUTHYIXYSQGGRQ-AWEZNQCLSA-N	387.915	4.624	70	10	GJIE	
CC1(C)C[C@@H]1CCCOc1ccc(Br)cc1S(=O)(=O)Cl	2144401184	YLSKZSPZZRSSGX-JTQLQIEISA-N	381.719	4.582	70	10	GJIE	
C[C@@H](COCc1ccccc1)Cn1cc(S(=O)(=O)Cl)c2cccc(F)c21	2227540874	JBAHJSIDEPEKST-CQSZACIVSA-N	395.883	4.561	70	10	GJIE	
COCC(C)(C)N(Cc1ccccc1)c1nc2ccc([B-](F)(F)F)cc2s1	2279028533	LYXFFWBMHWTWNV-UHFFFAOYSA-N	393.263	4.782	70	10	GJIE	
CC[C@@H]1CCCC[C@H]1Oc1ccc(Br)cc1S(=O)(=O)Cl	111779802	FZSOBVKGTOEOGB-ZYHUDNBSSA-N	381.719	4.724	70	10	GJIE	
Cc1ccc(OCNC(=O)NCCc2c[nH]c3ccccc23)c(C(C)(C)C)c1	217290210	IJBBPHXOXDWQSG-UHFFFAOYSA-N	379.504	4.652	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1CCCC1	2197482081	RAPDWJCZAYFVAY-UHFFFAOYSA-N	381.719	4.508	70	10	GJIE	
CCCCc1noc([C@H](C)Sc2nnc(-c3cccc(Cl)c3)n2C)n1	159762230	RPWNGZMRVRDPNN-NSHDSACASA-N	377.901	4.714	70	10	GJIE	
CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(-c2ccncc2)cc1F	160241363	HZOLEKZWHRJLHO-UHFFFAOYSA-N	399.416	4.627	70	10	GJIE	
C[C@@H]1CCC[C@@H](COc2ccc(Br)cc2S(=O)(=O)Cl)C1	383734726	JCGRUTNWZSVCKX-GHMZBOCLSA-N	381.719	4.582	70	10	GJIE	
Cc1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2133915715	KTCOGQZTUBXUIK-AWEZNQCLSA-N	385.215	4.796	70	10	GJIE	
C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(OC(F)(F)F)cc1	159903645	QFFKDDFLCMSILK-ZIAGYGMSSA-N	376.382	4.578	70	10	GJIE	
Cc1cc([C@@H](N)Cc2ccc(F)cc2Br)ccc1Br	161418109	KHSPNMJLPXRPJM-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1ccc(OC)c(F)c1)CCC2	160801979	TXHHVDSVLUGUFO-MLGOLLRUSA-N	391.512	4.633	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160803077	HCLRSDOFFWSTKK-JKSUJKDBSA-N	382.895	4.512	70	10	GJIE	
CCN(C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C)[C@@H](C)c1cccnc1	160813449	GFGNAPVGBBTOPL-KRWDZBQOSA-N	377.492	4.808	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)s1	161465138	HJCLZSMEJAXDMP-FQEVSTJZSA-N	397.519	4.759	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)NCCCOc1c(C)cccc1C	217298332	FZMHGXUDEIAOFK-UHFFFAOYSA-N	391.309	4.965	70	10	GJIE	
C=C1CCC(COc2ccc(Br)cc2S(=O)(=O)Cl)CC1	724595030	KYTQAVHBYYRRFF-UHFFFAOYSA-N	379.703	4.502	70	10	GJIE	
Cc1cccc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2194135830	ZQMQKJDMSNUUHN-BFUOFWGJSA-N	397.226	4.796	70	10	GJIE	
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1	159519573	UGMRGYFTMSJQAX-ZDUSSCGKSA-N	399.844	4.624	70	10	GJIE	
CC(C)c1c(C(=O)NCCC2=CCCC2)cnn1-c1ccc(C(F)(F)F)cn1	160143879	IVZHIZYVYOWEID-UHFFFAOYSA-N	392.425	4.640	70	10	GJIE	
CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C1	160553942	UWMVAUKOMJJZOD-FQEVSTJZSA-N	396.535	4.774	70	10	GJIE	
Cc1ccc([C@H](O)[C@H](CN)c2ccc(Cl)cc2Cl)c(Br)c1	161504862	JGBCGGGLNDFFCP-CJNGLKHVSA-N	389.120	4.840	70	10	GJIE	
Cc1c(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1	217288658	QLIAOLMBLNMNIB-IBGZPJMESA-N	377.463	4.730	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)NCOc1c(C)ccc(C)c1C	217295521	UVIVUDVEBMXDFZ-UHFFFAOYSA-N	384.476	4.727	70	10	GJIE	
CC[C@H](C)c1cc(S(=O)(=O)Cl)ccc1OC/C(C)=C/Br	2234892863	FTRRHKBMHJGHDD-UQSGXBNBSA-N	381.719	4.805	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CCC1(C)C	2281066963	VSRSXINDGLCZDR-JTQLQIEISA-N	381.719	4.500	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)c1	2319679927	KZUIFNPRHBBKLF-NSHDSACASA-N	391.606	4.751	70	10	GJIE	
CCCc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1S(=O)(=O)Cl	147485099	SYOXBONKXBYKLR-UHFFFAOYSA-N	388.103	4.713	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1	160207593	WSQVTLZIHVSFGX-BEFAXECRSA-N	393.491	4.872	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)N[C@H](C)Oc1ccc(Cl)cc1	217294819	ZTBHRTKKCIUWKT-AWEZNQCLSA-N	390.867	4.843	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1ccc(OCc2ccccc2)cc1	303081170	FKAFELGMSKTGBD-UHFFFAOYSA-N	382.909	4.773	70	10	GJIE	
O=S(=O)(Cl)c1cc(C(F)(F)F)c(OC(F)(F)F)c(C(F)(F)F)c1	2055422768	QPJCKTUTXIVELM-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
Cc1cccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2342575471	VWOMOJORCKKIAB-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
O=C1O[C@@]2(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C2)c2ccccc21	217584182	KWCXMHPREWYIBH-HSZRJFAPSA-N	389.476	4.717	70	10	GJIE	
O=C(c1ccc(Cl)c(Br)c1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194131110	XLYDKSZOGIZFRQ-ZANVPECISA-N	381.408	4.556	70	10	GJIE	
CC1(C)CC(C)(COc2ccc(Br)cc2S(=O)(=O)Cl)C1	2236584618	WPWBIBUPLWEEST-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
CCCCCCOc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2197481624	OFZQCLLMDPRTMD-UHFFFAOYSA-N	383.735	4.898	70	10	GJIE	
CC(C)[C@H](COc1cc(Cl)c(Cl)cc1Cl)CS(=O)(=O)Cl	115570006	BFWZDIKKXQAMPN-MRVPVSSYSA-N	380.120	4.866	70	10	GJIE	
Cn1cc(C(=O)c2cc(Br)ccc2Br)c2ccccc21	159755061	FCOROXPLNIDCFO-UHFFFAOYSA-N	393.078	4.934	70	10	GJIE	
O=C(NCCc1cccc(Br)c1)Nc1cccc2c(O)cccc12	217475937	ACXNYHMOVUEHJV-UHFFFAOYSA-N	385.261	4.672	70	10	GJIE	
Cc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc(S(=O)(=O)Cl)c1	2095921442	VTLVYNJUDPPZKC-UHFFFAOYSA-N	393.936	4.611	70	10	GJIE	
CCC[C@@H](CC)COc1c(C)cc(Br)cc1S(=O)(=O)Cl	2381650905	UQFHEHUKBMZZPS-LLVKDONJSA-N	383.735	4.890	70	10	GJIE	
CCc1ccc(-c2nc(CC(=O)N3CCO[C@@H](c4cccs4)C3)cs2)cc1	161433136	BSPQUOGKRUMGNE-GOSISDBHSA-N	398.553	4.577	70	10	GJIE	
C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)c1ccccc1-n1cccn1	161437428	OHCINRRAZBUNRE-AWEZNQCLSA-N	388.393	4.860	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)C(F)(F)F)c1	216765818	XRZUXMYCXJDNTC-ZDUSSCGKSA-N	394.393	4.717	70	10	GJIE	
CCc1ccc([C@H](C)NC(=O)NCCc2cccc(Br)c2)cc1	217478307	AZROLZUTEWPJGN-AWEZNQCLSA-N	375.310	4.614	70	10	GJIE	
Cc1cc(Br)c(N[C@H]2C[C@H](C)N(C)C[C@H]2C)c(Br)c1	217944690	PRFLNDVNTUOJHZ-SUNKGSAMSA-N	390.163	4.661	70	10	GJIE	
Clc1cc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c2ncccc2c1	160613639	PYYTUMHJGNFRRU-GOSISDBHSA-N	381.911	4.543	70	10	GJIE	
CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)cc1C	218666735	ZFAUSIHYDLOZGX-UHFFFAOYSA-N	388.514	4.626	70	10	GJIE	
CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(OCC(F)(F)F)c1C	159376891	UPXWNZAOZWBHQK-HNNXBMFYSA-N	388.430	4.749	70	10	GJIE	
Cc1noc(CSc2ccccc2C(=O)N[C@@H]2CCCc3sccc32)n1	160173512	FDWAKRCTRPKBSX-OAHLLOKOSA-N	385.514	4.539	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1	160207256	WSQVTLZIHVSFGX-HNAYVOBHSA-N	393.491	4.872	70	10	GJIE	
CN[C@@H](Cc1ccc(F)cc1Cl)c1cccc(I)c1	160612203	XAVNRMSXXPGZMG-HNNXBMFYSA-N	389.639	4.587	70	10	GJIE	
C[C@@H](NCc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(c1)OCCO2	161413223	OGBJWSQBJRLKGR-GFCCVEGCSA-N	388.439	4.710	70	10	GJIE	
Cc1ccc([C@@H](O)[C@@H](CN)c2ccc(Cl)c(Cl)c2)c(Br)c1	161507359	PDMQHEZOIDTAMG-BLLLJJGKSA-N	389.120	4.840	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)C2CCCC2)c(Br)c1	1981465166	KSMPAZSWIYKKHW-UHFFFAOYSA-N	398.055	4.848	70	10	GJIE	
CCC[C@@H]1C[C@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2200565143	MILZWSRFRLVMJD-BDAKNGLRSA-N	385.682	4.576	70	10	GJIE	
CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)c1	159712554	BAFVCWKYZNAKMO-QGZVFWFLSA-N	375.831	4.637	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)o1	160907160	HZXVEXBOZKJVMS-CBQOVEMMSA-N	382.504	4.999	70	10	GJIE	
Cc1c(Cl)cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1Br	2368441351	WLUUDITYOQRZJX-ZDUSSCGKSA-N	383.424	4.865	70	10	GJIE	
Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)cc1C	109526791	YFLCXUXYVCLZNW-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
COc1ccccc1-c1cccc(NC(=O)NC2CCC(CN(C)C)CC2)c1	160256905	ZUCIQTXUYSKFFN-UHFFFAOYSA-N	381.520	4.604	70	10	GJIE	
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(-c3ccccn3)c2)s1	160273761	WTTOLVHZSQZYOK-HNNXBMFYSA-N	380.517	4.725	70	10	GJIE	
CCC[C@@H](NC(=O)c1cccc(C)c1I)c1cccs1	218029815	CIYUCSVSECEVAW-CYBMUJFWSA-N	399.297	4.932	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC1CCC(C)CC1	113971806	PCMLZQCWXZKGGY-UHFFFAOYSA-N	381.719	4.643	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cccnc2Cl)cc(OCC)c1OCC	217274672	XJSTYAIATFINCU-UHFFFAOYSA-N	379.844	4.575	70	10	GJIE	
COc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)cc1OC	217299221	JDIWWVNABVCUFD-UHFFFAOYSA-N	386.492	4.592	70	10	GJIE	
O=C(N/C=C/c1cccc(Cl)c1)NCCc1cccc(Br)c1	218049983	GBZTZTYYODIKBC-CSKARUKUSA-N	379.685	4.615	70	10	GJIE	
O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161004127	GXIDJFZLFPNQCB-XJKSGUPXSA-N	386.829	4.788	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)NC(=O)NCc1cccc(Br)c1	217292598	RXYGFRLRYSCJKR-CQSZACIVSA-N	391.309	4.797	70	10	GJIE	
C[C@H]1CCCC[C@H]1Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191426982	WNRHAYKHLKWILC-GZMMTYOYSA-N	385.682	4.718	70	10	GJIE	
Cc1cc(OCC2(CS(=O)(=O)Cl)CCCCC2)ccc1Br	161597212	QARZUBUZNVMYOQ-UHFFFAOYSA-N	395.746	4.655	70	10	GJIE	
Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1	217289012	DUEQDLHDZCBQSI-QGZVFWFLSA-N	378.447	4.594	70	10	GJIE	
Cc1ccc([C@@H](CS(=O)(=O)Cl)C2CC2)c(NC(=O)OC(C)(C)C)c1C	1952687560	KBLIZAYHHRLQQF-HNNXBMFYSA-N	387.929	4.713	70	10	GJIE	
C=C(CCN1CCCCN(Cc2ccccc2)CC(F)(F)C1)[B-](F)(F)F	2046338649	CACNCXWFEHIYIU-UHFFFAOYSA-N	375.214	4.553	70	10	GJIE	
Fc1c(Cl)ccc(Oc2ncc([B-](F)(F)F)cc2Br)c1F	2172630398	MUEBVQRVEHSOGZ-UHFFFAOYSA-N	387.318	4.622	70	10	GJIE	
CN(Cc1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1)C(=O)OC(C)(C)C	2190459064	LHDHOXUNJUPAOD-INIZCTEOSA-N	399.242	4.507	70	10	GJIE	
C[C@@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1ccc(-c2ccncc2)cc1	159382245	LCUMAYPUXADVHE-QZTJIDSGSA-N	389.499	4.788	70	10	GJIE	
O=C(NC1CCN(c2ccccc2)CC1)c1ccc(CCC(F)(F)F)cc1	160622188	ARXUPDIEHXNGNT-UHFFFAOYSA-N	376.422	4.580	70	10	GJIE	
Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2-n2cccn2)c(Cl)c1	160854923	RXBKRNCVKFRIFN-IRXDYDNUSA-N	396.922	4.820	70	10	GJIE	
CC[C@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(F)cc1F	160906744	BXHYIPWWRPLYFK-QFIPXVFZSA-N	375.459	4.901	70	10	GJIE	
COc1cc(Cl)c(C)cc1NC(=O)NCCCOc1ccccc1Cl	217300161	ZVOINLJUKADIBT-UHFFFAOYSA-N	383.275	4.901	70	10	GJIE	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)c1cc(Br)ccc1F	217515860	YJZKDOSLYNFVNE-GFCCVEGCSA-N	386.261	4.561	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@@H](c1ccccc1F)C1CCCC1	159737072	ZRAJKXQXWMUCDP-LJQANCHMSA-N	375.513	4.788	70	10	GJIE	
CO[C@@H](C)c1cccc(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1	160967079	ZMZSXKBADCTWBZ-BTYIYWSLSA-N	379.435	4.839	70	10	GJIE	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161458424	ZHDGCGACWORZRX-AUUYWEPGSA-N	397.475	4.858	70	10	GJIE	
O=S(=O)(c1ccc2c(c1)CCCC2)N1CCCC[C@@H](c2ccc(F)cc2)C1	217289568	UGABPNHJXHYZKX-HXUWFJFHSA-N	387.520	4.663	70	10	GJIE	
Cc1ccc(OCCCNC(=O)Nc2ccc(Br)c(C)c2)cc1	217297981	BGGKOOLXPCZAPT-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CCC[C@H]([B-](F)(F)F)C1	2133913957	DFYKNYKDAIPFNC-POAOYLCXSA-N	380.239	4.602	70	10	GJIE	
C[C@H](CCC[C@@H](C)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342474207	KDPAFHZULDPWKJ-HBUWYVDXSA-N	393.279	4.546	70	10	GJIE	
COc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c(OC)c1OC	159383590	YQJVELKJMZGFKN-CJNGLKHVSA-N	388.464	4.619	70	10	GJIE	
CCN(C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)[C@@H](C)c1cccnc1	161058044	MEJCHJLHXCSURM-KRWDZBQOSA-N	389.503	4.835	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1	2190466142	XWJCCANRQJGSDQ-HNNXBMFYSA-N	399.242	4.806	70	10	GJIE	
C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(Br)c(Cl)s2)C1	2319667951	BLHBWMBHIPWGON-SNVBAGLBSA-N	375.426	4.618	70	10	GJIE	
CC(C)COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccsc3)no2)cc1	159678311	SCLFGOOHNZLADD-HNNXBMFYSA-N	399.516	4.643	70	10	GJIE	
CC(C)c1ccc(/C=C/CC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1	160246192	PTXPKOYTBMGXNT-AWUSRGSFSA-N	385.548	4.790	70	10	GJIE	
CC(C)CCCCCOc1ccc(Br)cc1S(=O)(=O)Cl	383172281	SKNVBEPIZORHII-UHFFFAOYSA-N	383.735	4.972	70	10	GJIE	
CC[C@@H](NC(=O)C(C)(C)c1cccc(Br)c1)c1c(C)noc1C	160354350	SWYZZFKEOWZEFO-OAHLLOKOSA-N	379.298	4.599	70	10	GJIE	
CC[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(OC(F)F)cc1	161075304	MQWCMANYKOUWMG-NRFANRHFSA-N	398.453	4.739	70	10	GJIE	
CCCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCOC(C)(C)C2)cc1OCCC	161132523	IXQHRHBQIYHRPA-AEFFLSMTSA-N	392.540	4.582	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCC(C)(C)C1	2155215941	WHASZYLDQHBRAL-NSHDSACASA-N	381.719	4.643	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1O[C@H]1C=CCCCC1	2196210925	YWECUWHEZVZOBU-JTQLQIEISA-N	383.666	4.638	70	10	GJIE	
CN[C@H](c1ccc(OC)c(C)c1)c1cc(Br)ccc1Br	159827879	OSWRECGNPVOSGI-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)s1	159835823	WOXIQZOAEVTJIJ-ZFWWWQNUSA-N	376.522	4.685	70	10	GJIE	
CC(C)(C)c1ccc(C[C@@H](N)c2ccc(I)cc2)cc1	161243403	DVICFJARCVJKKB-QGZVFWFLSA-N	379.285	4.831	70	10	GJIE	
CC(C)(C)C[C@@H](CC(=O)N1CCC[C@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2133911981	FBPLFAZXSHHYHJ-UONOGXRCSA-N	393.279	4.546	70	10	GJIE	
CCn1cc(C2CCN(Cc3csc(COc4ccc(C)cc4)n3)CC2)cn1	160459631	FOAZYUGBTSHRKY-UHFFFAOYSA-N	396.560	4.627	70	10	GJIE	
Cc1cc(-c2noc([C@@H](C)N[C@@H](C)c3ccccc3-n3cccn3)n2)ccc1F	160862489	ZKFYNQSUNQWNNH-JKSUJKDBSA-N	391.450	4.782	70	10	GJIE	
CCS[C@@H](C)c1noc(CSCc2nc(-c3ccc(C)cc3)no2)n1	161368686	INAVCAAOVFLYGU-LBPRGKRZSA-N	376.507	4.676	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1O[C@H]1C=CCCCCC1	379876628	LLFZZAWSRXBORN-LBPRGKRZSA-N	379.703	4.644	70	10	GJIE	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cc(-c3nnco3)ccc2C)o1	160191469	UBFLIQSWVXDVMJ-SCLBCKFNSA-N	380.448	4.952	70	10	GJIE	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccccc1Oc1ccccc1	218150607	QZWRQIMYHFTKRM-QGZVFWFLSA-N	393.512	4.582	70	10	GJIE	
C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1cn2ccsc2n1	218544264	ZGPPEPCRMNRRCE-ZDUSSCGKSA-N	381.432	4.608	70	10	GJIE	
CCC[C@@H](COc1ccc(OCc2ccccc2)cc1)CS(=O)(=O)Cl	303112020	ZLPPPWLMPUNCGT-KRWDZBQOSA-N	382.909	4.629	70	10	GJIE	
CCc1cccc([C@H](CS(=O)(=O)Cl)C2CC2)c1NC(=O)OC(C)(C)C	1952940906	BKWLZFQYNTUYRB-OAHLLOKOSA-N	387.929	4.658	70	10	GJIE	
CC[C@H](C)c1cc(S(=O)(=O)Cl)ccc1OCC/C=C/Br	2170705682	LIQHTXPLGIIWIH-VUQUXZKVSA-N	381.719	4.805	70	10	GJIE	
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)c1ccc(Br)cc1F	217515560	LPCLFDKHCJVQBF-GFCCVEGCSA-N	386.261	4.561	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1	2133915824	LDJBCLJAYBCQFH-LBPRGKRZSA-N	389.178	4.626	70	10	GJIE	
Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)n1	159555780	PXBLUIOYXYHNGI-HNNXBMFYSA-N	379.460	4.571	70	10	GJIE	
CN(C)C(=O)Nc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c(Cl)c1	161168150	RWDYMQFXAHZDAA-UHFFFAOYSA-N	389.883	4.612	70	10	GJIE	
COc1ccc(-c2cnc(CS(=O)(=O)Cc3cccc4ccccc34)o2)cc1	161209998	ZVNCFCLOBZJDPB-UHFFFAOYSA-N	393.464	4.618	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CCC([B-](F)(F)F)CC2)cc1	2239513401	OFKPBELGIIOTGH-UHFFFAOYSA-N	399.242	4.806	70	10	GJIE	
Cc1c(OCc2ccc(Br)cc2)ccc(S(=O)(=O)Cl)c1C	59093321	YJNAENOUOZHXNN-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)N[C@H](C)c1ccccc1	159833579	LSKNYEGSMJFLSB-CVEARBPZSA-N	393.512	4.678	70	10	GJIE	
CC[C@H]1CCC[C@@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1	160232760	DCZNWSUKXVUCIB-VHSXEESVSA-N	399.709	4.863	70	10	GJIE	
CCCN[C@@H](CSc1ccc(Br)cc1)c1c(Cl)cnn1C	160695464	MVPYXRVJQJYTHD-AWEZNQCLSA-N	388.762	4.669	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	2194128053	MXHMQQZMAMCBAJ-YJYMSZOUSA-N	397.226	4.796	70	10	GJIE	
Brc1ccc2[nH]c(CN[C@H](c3ccccc3)c3ccccn3)nc2c1	160331004	WPTJKTPLXAHMFX-HXUWFJFHSA-N	393.288	4.600	70	10	GJIE	
CCN[C@@H](Cc1ccc(C)cn1)c1cc(Br)ccc1Br	160815629	KNGBWSOIIIYQPZ-INIZCTEOSA-N	398.142	4.808	70	10	GJIE	
CCCOc1ccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)cc1Cl	161317429	ZDKPDNJZRLYODZ-UHFFFAOYSA-N	384.863	4.542	70	10	GJIE	
Cc1cccc(C)c1COc1ccc(Br)cc1S(=O)(=O)Cl	214282864	OHEUANDMOZQNHL-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
Brc1cc(CN[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)oc1Br	217576138	KIKMFNPAISFYLS-ZHFVHPGNSA-N	389.131	4.719	70	10	GJIE	
CCCCCCCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	160218713	NQRSQNFOBXMBRS-UHFFFAOYSA-N	387.698	4.865	70	10	GJIE	
Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)c3ccccc3-n3cccn3)cc2)n1	160718903	SMBIVXZCAAWOPF-QGZVFWFLSA-N	398.470	4.520	70	10	GJIE	
CC(F)(F)CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2191426920	VSWJQQINJYRVPL-UHFFFAOYSA-N	395.624	4.575	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCC[C@H](C)C1	112694575	CTMWFIKSMVKFOJ-CABZTGNLSA-N	381.719	4.643	70	10	GJIE	
CCc1csc([C@@H]2CCCN([C@@H](C)c3nc(Cc4ccccc4)no3)C2)n1	160017235	JATTWPNLPXKDAS-DOTOQJQBSA-N	382.533	4.620	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Br)c(Cl)c1	160553895	HFXYXQYSRBFYDL-LLVKDONJSA-N	382.685	4.511	70	10	GJIE	
CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cccc(OC3CCCCC3)c2)C1	159406010	SWQKLWYYALPJPD-LJQANCHMSA-N	396.535	4.590	70	10	GJIE	
CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccc(OC3CCCCC3)c2)C1	159406118	SWQKLWYYALPJPD-IBGZPJMESA-N	396.535	4.590	70	10	GJIE	
N[C@H](Cc1nc2ccccc2o1)c1cc(Br)ccc1Br	160800850	KIKVIBJTVOGDMW-GFCCVEGCSA-N	396.082	4.595	70	10	GJIE	
CCCCC1CCC(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)CC1	217524352	YNVWSVJSOBARNA-UHFFFAOYSA-N	399.501	4.894	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCCOCc2ccccc2)c(Cl)c1	380925799	CFIPPVJMUHXEMJ-UHFFFAOYSA-N	395.691	4.517	70	10	GJIE	
Cc1cc(OCCOCc2ccccc2)c(C(C)(C)C)cc1S(=O)(=O)F	1875866546	XUIPTQRYSLUACA-UHFFFAOYSA-N	380.481	4.546	70	10	GJIE	
CN(CCc1ccccc1)C(=O)c1cc(Br)ccc1Br	160407159	QPXVEIHNFJQPAF-UHFFFAOYSA-N	397.110	4.526	70	10	GJIE	
O[C@@H](Cc1nc2ccccc2o1)c1cc(Br)ccc1Br	161316470	VJLJJJNTLODKMG-ZDUSSCGKSA-N	397.066	4.629	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2ccc(-n3cccc3)cc2)cc1OCC	217303418	FAQLYZCKIRATKN-UHFFFAOYSA-N	393.487	4.639	70	10	GJIE	
O=C(N/C=C/c1ccccc1Br)NC12CC3CC(CC(C3)C1)C2	217865449	JXAMTTBFMSYKHD-AATRIKPKSA-N	375.310	4.688	70	10	GJIE	
Cc1cc(OCCOCc2ccccc2)c(C(C)C)cc1S(=O)(=O)Cl	304563541	HCFAGFGVUYCJKE-UHFFFAOYSA-N	382.909	4.642	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(Cl)cc1C=CS(=O)(=O)Cl	1952271887	ISDSQSDMHVWLPY-UHFFFAOYSA-N	386.684	4.880	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)NC(=O)Nc2cc(Br)ccn2)cc1	217296802	BFHYQCVUPQYCJK-GFCCVEGCSA-N	378.270	4.514	70	10	GJIE	
F[B-](F)(F)c1cnc(Oc2c(Cl)cccc2Cl)c(Br)c1	2115996321	MLXWEFKUSGGOOD-UHFFFAOYSA-N	385.783	4.998	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](N)c1cc(Br)ccc1Br	159862578	QJSHVPAZGFYXKM-INIZCTEOSA-N	399.126	4.967	70	10	GJIE	
CCCc1c(CNC)oc2c(Br)cc(OC)c(Br)c12	161500698	LLTSEHVRCYDZEM-UHFFFAOYSA-N	391.103	4.638	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)ccc1C(=O)N(Cc1ccccc1)CC(C)(C)C	2095920831	LFYOXNZOHMVGEU-UHFFFAOYSA-N	393.936	4.611	70	10	GJIE	
C=CCCCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2123072934	JIWDCCBCSJKAGF-UHFFFAOYSA-N	388.110	4.765	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1	2368344107	WLNYUMLBTFLALP-IBGZPJMESA-N	399.242	4.806	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)N3CC[C@@H](C)C[C@H]3c3ccc(C)o3)c2)n[nH]1	159487436	NHMWRSNQCWJKCW-ACJLOTCBSA-N	379.464	4.687	70	10	GJIE	
CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1	161173724	BYGITSIQXNXXEB-JOYOIKCWSA-N	391.846	4.883	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1OCc1cc(Br)ccc1Cl	2295164938	YHFCMJFFCPWBKI-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
Cc1ccc(C)c(-n2ncc([C@H](C)NCCCc3nc(C(C)C)no3)c2C)c1	160761040	JHMBEFXNHXHREX-KRWDZBQOSA-N	381.524	4.587	70	10	GJIE	
CC(C)c1noc(CCCNC(=O)N2CCC[C@H]2c2cccc3ccccc23)n1	161194997	DLBNTRJQZJUEFT-FQEVSTJZSA-N	392.503	4.826	70	10	GJIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1cc(F)ccc1F	217281442	AZZDYIYUMLUMOA-UHFFFAOYSA-N	399.397	4.538	70	10	GJIE	
CCCCCNC(=O)C1CCN(C(=O)C/C=C/c2ccc(C(C)C)cc2)CC1	159468283	NBIMEIOLZPHDMW-BQYQJAHWSA-N	384.564	4.758	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@H](N[C@@H](CC)c1nccs1)c1ccccc1	161097932	FRUUJMQHKWHHQH-FXAWDEMLSA-N	395.528	4.963	70	10	GJIE	
O=C1CCCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)sc21	216736920	WHBZBJPGSKMTDU-NXEZZACHSA-N	381.284	4.711	70	10	GJIE	
C[C@@H]1CCC[C@H](COc2ccc(S(=O)(=O)Cl)cc2Br)C1	302628689	SDBBVCOMCUGXNP-MNOVXSKESA-N	381.719	4.582	70	10	GJIE	
CC(C)(C)c1nc2cc(NC(=O)c3cc(N4CCCC4=O)ccc3F)ccc2o1	160245716	NAXSBEOUJBRVOF-UHFFFAOYSA-N	395.434	4.644	70	10	GJIE	
CCN[C@@H](Cc1ccc(F)cc1Br)c1ccc(Br)o1	161404294	DNWRIVNVUHVGMW-LBPRGKRZSA-N	391.078	4.837	70	10	GJIE	
Cc1ncc(Oc2ccc(S(=O)(=O)Cl)c(Cl)c2)cc1Br	1927661071	GBWYZXPXRAKBTE-UHFFFAOYSA-N	397.077	4.526	70	10	GJIE	
CCC(CC)(CC)COc1ccc(S(=O)(=O)Cl)cc1Br	2182251332	FYIWXYFUIQZIMN-UHFFFAOYSA-N	383.735	4.972	70	10	GJIE	
C[C@@]1([B-](F)(F)F)CCN(C(=O)CCCc2ccc(Br)s2)C1	2368424436	VONMHLITYSKUIP-CYBMUJFWSA-N	383.062	4.673	70	10	GJIE	
CCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1OCCC	159539768	SNGQXEOPVLOGFX-DLBZAZTESA-N	377.525	4.504	70	10	GJIE	
O=C(Nc1ccccc1N1CCC(CO)CC1)c1cc2cc(Cl)ccc2o1	160275312	OUVBVAVKZMYGGY-UHFFFAOYSA-N	384.863	4.547	70	10	GJIE	
CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1nccs1	161149837	XLABEWUYNZXWEB-VQIMIIECSA-N	379.529	4.802	70	10	GJIE	
O=C(c1cc(-c2cccnc2)on1)N1CCCC[C@H]1CCCc1ccccc1	161162897	CWURDAGODZPZON-FQEVSTJZSA-N	375.472	4.754	70	10	GJIE	
NC[C@@H](c1ccc(Cl)cc1Cl)[C@H](O)c1c(F)cccc1Br	161332281	VFCUVLSKOQPVAA-BONVTDFDSA-N	393.083	4.671	70	10	GJIE	
CCOc1ccc(NC(=O)NCOc2ccc(Cl)cc2Cl)cc1OCC	217297152	NBEVKYFGJWVFJM-UHFFFAOYSA-N	399.274	4.949	70	10	GJIE	
CCOc1ccc(CCNC(=O)Nc2cc(Cl)ccc2Cl)cc1OC	217308117	FDGRSDJZDYYRSU-UHFFFAOYSA-N	383.275	4.765	70	10	GJIE	
CC(C)(CCOc1ccc(S(=O)(=O)Cl)cc1Br)C1CC1	406104635	JUMACHJNGZEGKC-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(CCCC(C)(C)S(=O)(=O)Cl)cc1	1952730750	FNOJFWPLJRHKAF-UHFFFAOYSA-N	375.918	4.704	70	10	GJIE	
C[C@@H](N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Cl)c1)C(C)(C)C	2095894633	BPTNUPVREDUBET-OAHLLOKOSA-N	393.936	4.691	70	10	GJIE	
F[B-](F)(F)COc1c(Br)cc(Br)c2cccnc12	203439775	HAGQAKNGZQDCSU-UHFFFAOYSA-N	383.778	4.525	70	10	GJIE	
Cc1nc(COc2c(Cl)cc(S(=O)(=O)Cl)cc2Cl)sc1C	215891877	GFAFGPFJOAQSOB-UHFFFAOYSA-N	386.709	4.573	70	10	GJIE	
CC[C@@H](C)NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298453	UGEMJQIURRLJBG-CYBMUJFWSA-N	385.346	4.613	70	10	GJIE	
CN[C@@H](c1cc(Br)ccc1Br)[C@H](C)c1ccncc1	160808352	KKUZQQDOICBZDX-MEBBXXQBSA-N	384.115	4.671	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O	217279055	LRPDCMMYAYCEKC-UHFFFAOYSA-N	392.242	4.642	70	10	GJIE	
C=C(Br)CCOc1cc(C)c(S(=O)(=O)Cl)cc1C(C)C	2163423849	RUEWTRRDSIMOMW-UHFFFAOYSA-N	381.719	4.723	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1	2194129300	UNSLFHYGPKBSRS-DJJJIMSYSA-N	397.226	4.796	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2229034941	VQTQJUXZIYMXDS-ZDUSSCGKSA-N	385.215	4.796	70	10	GJIE	
O=S(=O)(Cl)c1c(C2CC2)nn(-c2ccc(Cl)cc2Cl)c1Cl	147485991	PKMNRKVSNZKSHV-UHFFFAOYSA-N	386.087	4.637	70	10	GJIE	
Cn1cc(C(=O)c2cccc(I)c2)c2ccc(Cl)cc21	159636051	QYFQMLPIFUTIJJ-UHFFFAOYSA-N	395.627	4.667	70	10	GJIE	
CN[C@@H](Cc1cc(F)ccc1Br)c1cc2c(s1)CCSC2	161510827	WXIWTAMFXBVNNR-AWEZNQCLSA-N	386.355	4.942	70	10	GJIE	
Cc1cccc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1NC(=O)OC(C)(C)C	2194135831	ZQMQKJDMSNUUHN-DJJJIMSYSA-N	397.226	4.796	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1C=CCCCC1	2196213070	JAVPSGQSNRKZKI-LBPRGKRZSA-N	379.703	4.563	70	10	GJIE	
CCOc1cc(NC(=O)NCc2cccc(Cl)c2)cc(OCC)c1OCC	217275253	DUNAZIMQJUPKIL-UHFFFAOYSA-N	392.883	4.858	70	10	GJIE	
O=C(N(CCc1cccs1)C1CCOCC1)C1(c2cccs2)CCCC1	217291533	WLYZPAIDDQKSHL-UHFFFAOYSA-N	389.586	4.872	70	10	GJIE	
CC(C)(C)C1CC(Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	2182849392	MYSULOCKOZPPHX-UHFFFAOYSA-N	381.719	4.580	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c2ccccn2)c1	159980854	RYDUNQQYWAQAFW-LXBDKUERSA-N	399.494	4.504	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)NC(=O)Nc1ccc(Br)cn1	217292664	ZBVPBSUBWGCSTD-LBPRGKRZSA-N	378.270	4.514	70	10	GJIE	
C[C@H](N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(I)cc1	218207813	YDEHYPVQMSIACN-PHMLKFTMSA-N	381.301	4.767	70	10	GJIE	
CC[C@H](CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)Oc1ccccc1Cl	160448014	NDHXKMPFQKTFPW-WMLDXEAASA-N	390.911	4.815	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2NC(=O)C(F)(F)F)cc1	216778626	YXCXLBDRQPXRPV-ZDUSSCGKSA-N	394.393	4.717	70	10	GJIE	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(Oc2ccccc2)cc1	218150187	QWKLFLNMVNDOOG-KRWDZBQOSA-N	393.512	4.582	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C=CCS(=O)(=O)Cl	1952420816	JVFJPLGICHRZLC-UHFFFAOYSA-N	399.818	4.634	70	10	GJIE	
Cc1c(Cl)cc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1Br	2239529079	KTRCXAUAPGSNSU-UHFFFAOYSA-N	383.424	4.865	70	10	GJIE	
COc1ccc(OC)c([C@@H](C)N[C@H](C)c2cc(Cl)c(OC)cc2OC)c1	160004240	PGWVTYMMXJGCPX-CHWSQXEVSA-N	379.884	4.786	70	10	GJIE	
Cc1cc(Br)c(NC(=O)N2CCC[C@H](C)C2)c(Br)c1	160343597	WPVGREKHCPGBOP-VIFPVBQESA-N	390.119	4.784	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(SC)c(F)c2)cc1OC	161215816	HXUVCGRTCTUAHA-HUUCEWRRSA-N	393.524	4.993	70	10	GJIE	
CN[C@H](c1cc(C)ccc1Br)c1cc(Br)ccc1OC	161435017	LJGAIQKQVFQQRT-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1cc(Cl)cc(Br)c1	698002687	FOQLNHFGFANFIR-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
N[C@H](Cc1cc(Br)ccc1F)c1cc(F)ccc1Br	160380738	ZZVQKZHJVOHZQY-CQSZACIVSA-N	391.053	4.732	70	10	GJIE	
CN(Cc1cnccn1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	217232634	JEYCGDSXYHVUQX-UHFFFAOYSA-N	376.504	4.608	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2C1=O	217279045	AECHUZBJRPFEGT-UHFFFAOYSA-N	392.242	4.642	70	10	GJIE	
O=C(NCOc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1	217296976	OYTWCPDKUQFKGO-UHFFFAOYSA-N	393.314	4.994	70	10	GJIE	
C[C@H](c1cccc(C(F)(F)F)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952631428	HUBKAAUJAKJOHQ-MRVPVSSYSA-N	387.807	4.682	70	10	GJIE	
C[C@@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1ccc(-c2cccnc2)cc1	159443959	LEVXIPZFMJQWCU-QZTJIDSGSA-N	389.499	4.788	70	10	GJIE	
O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1	160346691	MBFASYFWCKLWRL-FRFSOERESA-N	382.410	4.616	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)N1CCC(Cc2ccccc2)CC1	217298099	JNWZYVGVEFMPKP-UHFFFAOYSA-N	380.532	4.737	70	10	GJIE	
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3ccsc3n2)c(C)c1	218647255	VVHUAOCDCCYJOB-UHFFFAOYSA-N	397.525	4.789	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CCC1(C)C	2281066964	VSRSXINDGLCZDR-SNVBAGLBSA-N	381.719	4.500	70	10	GJIE	
F[B-](F)(F)c1cnc(SC[C@@H]2CCCCC2(F)F)c(Br)c1	2283108601	WZIAIHUVYOQDJZ-QMMMGPOBSA-N	389.016	4.816	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342482392	MIKIHRAEJLXKHH-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
CC(C)[C@H](C)[C@@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2365692451	ZMRYURCLGJYQKQ-DTWKUNHWSA-N	387.698	4.820	70	10	GJIE	
CC(C)CN1C(=O)c2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O	217279682	HTGNDQKEJFDMKM-UHFFFAOYSA-N	387.439	4.736	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(OC(F)(F)F)cc1	217286518	OWZYNQHPWFXHFU-UHFFFAOYSA-N	395.362	4.826	70	10	GJIE	
C[C@@H]1CC[C@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)C1	2098990126	AWZFKWPHPZXIPL-APPZFPTMSA-N	388.110	4.597	70	10	GJIE	
O=S(=O)(Cl)C[C@@H](COc1ccc(OCc2ccccc2)cc1)CC1CC1	2112863439	JAEANFKFOVUGCO-GOSISDBHSA-N	394.920	4.629	70	10	GJIE	
Cc1cc(Br)c(C(=O)N2CCC([B-](F)(F)F)CC2)cc1Cl	2239519887	DLYSFLRZPUFXQX-UHFFFAOYSA-N	383.424	4.865	70	10	GJIE	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1	2239523638	SKZPONVACVFXTI-CYBMUJFWSA-N	399.242	4.726	70	10	GJIE	
CC[C@H]1CCCCCN1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1	159512738	SIIMZPUPDCUMDL-SFHVURJKSA-N	384.480	4.788	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cc(-c2ccccc2)on1	217294160	KELQROFKUAZKIZ-UHFFFAOYSA-N	388.448	4.564	70	10	GJIE	
CC(C)(C)c1ccc(NC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1	217605923	KIFIWDSSVKWMPK-QHCPKHFHSA-N	378.472	4.678	70	10	GJIE	
CC(C)(C)c1ccc(C[C@H](N)c2cccc(I)c2)cc1	161251636	UAWHEQNOYHQRIG-KRWDZBQOSA-N	379.285	4.831	70	10	GJIE	
CN[C@@H](c1cc(C)ccc1Br)c1cc(Br)ccc1OC	161434894	LJGAIQKQVFQQRT-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
O[C@@H](c1ccc(OC2CC2)cc1)c1cc(Br)ccc1Br	159919502	LELRQBAOTQDMLV-INIZCTEOSA-N	398.094	4.835	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N1CCCCC[C@@H]1c1ccncc1	160161472	XCPHEUMKNYVSMC-HSZRJFAPSA-N	386.499	4.971	70	10	GJIE	
Clc1cc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c2ncccc2c1	160613784	PYYTUMHJGNFRRU-SFHVURJKSA-N	381.911	4.543	70	10	GJIE	
CCCn1ncc(Br)c1[C@@H](CSc1cccc(Cl)c1)NC	160758610	PMMHTZYCYNKCTJ-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)NC(=O)NCc2ccccc2Br)cc1	217296705	DZBUMGFCIPAJLO-AWEZNQCLSA-N	391.309	4.797	70	10	GJIE	
Cc1ccc2nc(-c3ccc(NC(=O)NCC4CCOCC4)cc3)sc2c1	218714957	FCLOIZTYCFOHOM-UHFFFAOYSA-N	381.501	4.820	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCCOCc2ccccc2)cc1Cl	380946060	OWDYRQICLKFNKK-UHFFFAOYSA-N	395.691	4.517	70	10	GJIE	
C[C@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1ccc(-c2cccnc2)cc1	159443727	LEVXIPZFMJQWCU-MSOLQXFVSA-N	389.499	4.788	70	10	GJIE	
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc(C)c(F)c(C)c2)n1	160508275	GPKNJSCCFZOSQQ-UHFFFAOYSA-N	377.463	4.692	70	10	GJIE	
CC[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1	161173604	BYGITSIQXNXXEB-CABZTGNLSA-N	391.846	4.883	70	10	GJIE	
O=C(Nc1ccccc1S(=O)(=O)F)OCC1c2ccccc2-c2ccccc21	701160655	IATHMUZZVAHLFW-UHFFFAOYSA-N	397.427	4.706	70	10	GJIE	
CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([B-](F)(F)F)CC1	2231048902	OJSYMAANDZMQKE-CQSZACIVSA-N	393.279	4.546	70	10	GJIE	
COCc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccccc3Cl)c2C)o1	161439567	GPQCKYSTAJGUOZ-IBGZPJMESA-N	399.878	4.551	70	10	GJIE	
Cc1ccc(OCNC(=O)Nc2cc(Br)ccn2)c(C(C)(C)C)c1	217290289	VTQONPJVNWZFQN-UHFFFAOYSA-N	392.297	4.608	70	10	GJIE	
Cc1cc(C)c(OCc2ccc(Br)cc2)c(S(=O)(=O)Cl)c1	112351925	XJGSIWARRHKIFV-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CC(C)OC1CCC(NC(=O)C(C)(C)c2cccc(Br)c2)CC1	159521536	BKCBRASCXRIUIV-UHFFFAOYSA-N	382.342	4.579	70	10	GJIE	
O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCC[C@@H]1c1ccco1	161014057	AVFAGXOSISXVLI-LJQANCHMSA-N	376.460	4.787	70	10	GJIE	
CCOc1ccc(NC(=O)N[C@H](C)Oc2ccc(Cl)cc2)cc1OCC	217294904	NDYPYXRRPVARNJ-ZDUSSCGKSA-N	378.856	4.684	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1	2342481975	UTKJDLXSHJNSQI-GOSISDBHSA-N	385.215	4.512	70	10	GJIE	
Cc1ccc(C)c(COc2ccc(Br)cc2S(=O)(=O)Cl)c1	88270667	ODMXULGXQNZCLL-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CC(C)(C)CCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	105046318	KJBZBNIMIOTJSB-UHFFFAOYSA-N	390.126	4.845	70	10	GJIE	
CCC(C)(C)c1ccc(CNC(=O)Nc2ccc(NC(C)=O)c(OC)c2)cc1	160497808	HOSZVCBJWAXPGG-UHFFFAOYSA-N	383.492	4.663	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1=CCCC1	401146564	BVXZVNRAXPGLQF-UHFFFAOYSA-N	386.094	4.519	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(Cl)cc1	88270773	WXCUIJRFQPZOBM-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
C[C@H]1CC[C@H](NC(=O)Nc2ccc(CN3CCCC3=O)cc2)c2ccccc21	160738844	HVNYXWCVZYSQSS-KKSFZXQISA-N	377.488	4.569	70	10	GJIE	
CC(C)c1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160813501	XYLCEAQMOQNYEJ-ZWKOTPCHSA-N	376.504	4.674	70	10	GJIE	
CC[C@@H](N[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1)c1nccs1	161126320	KHXRXRNCFWFGSW-RTBURBONSA-N	381.501	4.572	70	10	GJIE	
O=S(=O)(Cl)C[C@H](COc1cc(Cl)c(Cl)cc1Cl)C1CC1	701867451	HHNVEPPTPSBSEY-QMMMGPOBSA-N	378.104	4.620	70	10	GJIE	
C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)c1ccccc1	1536598941	CZODSEKTWMZVDP-GOSISDBHSA-N	395.883	4.826	70	10	GJIE	
C[C@H](c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1)S(=O)(=O)Cl	1952630934	DUFJCNOMVSFGGR-SSDOTTSWSA-N	388.700	4.970	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC1CCCCC1	2197481623	OFUHMESILZDWNP-UHFFFAOYSA-N	381.719	4.651	70	10	GJIE	
COc1ccc([B-](F)(F)F)c(N(Cc2ccccc2)[C@H](C)c2cccs2)n1	2265930328	PTQCZWZRUDXGDV-CQSZACIVSA-N	391.247	4.974	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC	161228263	MPTIQZNPZUKXMK-QFBILLFUSA-N	385.504	4.673	70	10	GJIE	
Cc1ccc(S(=O)(=O)Cl)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C	2095894759	CDMDLOQECXXXLL-INIZCTEOSA-N	393.936	4.609	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194129583	LHGGJSQGMHHBGX-MURMKNCLSA-N	392.250	4.602	70	10	GJIE	
CCC[C@H]1C[C@@H]1COc1c(C)cc(Br)cc1S(=O)(=O)Cl	2200568325	RARCRDPEMASJFI-WDEREUQCSA-N	381.719	4.500	70	10	GJIE	
CN[C@H](c1ccc(OC)c(Br)c1)c1cc(C)ccc1Br	161434609	ZPNBAFRSDKACCH-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cc(Cl)cc1C(C)(C)S(=O)(=O)F	1952844398	GOCRCSHJJUWKKS-UHFFFAOYSA-N	386.272	4.875	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCC[C@H]1C	2197461505	MRHNMFUKJGECGG-BXKDBHETSA-N	381.719	4.506	70	10	GJIE	
CN[C@H](Cc1ccc(Br)s1)c1c(F)c(F)c(F)c(F)c1F	160656841	AFFKKYWZOALBNL-ZCFIWIBFSA-N	386.183	4.709	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)ccc2O)cc1	217299380	JHHAOFDFPJTFNQ-UHFFFAOYSA-N	376.884	4.934	70	10	GJIE	
C[C@H]1CC[C@H](COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191429104	VMLYGADGCSZVPL-IUCAKERBSA-N	385.682	4.576	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)NCOc1ccc(CCC)cc1	217293799	JVUAFSCKTDKNQU-UHFFFAOYSA-N	384.476	4.754	70	10	GJIE	
F[B-](F)(F)c1cnc(N(Cc2ccccc2)CC(F)(F)F)c2sccc12	2052601692	BPYKEYRLKHVAJV-UHFFFAOYSA-N	389.153	4.920	70	10	GJIE	
Cc1cccc([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2ccccn2)c1	159792971	WMNYZJKBSWMXBU-HMFYCAOWSA-N	378.422	4.678	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1	217266410	NIXUZPOSAOAVKP-UHFFFAOYSA-N	393.237	4.937	70	10	GJIE	
CCCC[C@H](CC)COc1ccc(S(=O)(=O)Cl)cc1Br	109432766	YQDRBKFTBHKABK-NSHDSACASA-N	383.735	4.972	70	10	GJIE	
Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1	161457291	NHLVZZLFHXFZAG-KDOFPFPSSA-N	383.448	4.550	70	10	GJIE	
O=S(=O)(Cl)c1cccc(Oc2ccc(Br)cc2Cl)c1	382397108	UTMNFFZWYMFEJG-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)cc1Cl)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1	2116127637	AMYVILYIHVUZSP-IAGOWNOFSA-N	397.657	4.610	70	10	GJIE	
Cc1cc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2-n2cccn2)c(Cl)c1	160854800	RXBKRNCVKFRIFN-DLBZAZTESA-N	396.922	4.820	70	10	GJIE	
C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1cc(Cl)cc(Cl)c1	161226021	KFJYDHZWHMZARH-HNNXBMFYSA-N	393.358	4.801	70	10	GJIE	
CC(C)(C)c1noc(CCC(=O)N2CCCC[C@H]2CCCc2ccccc2)n1	161341771	NXRVIEHDQYJFBL-IBGZPJMESA-N	383.536	4.704	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)CSCc1ccc(C(=O)OC)s1	159898744	ZGNIBWKLDZZCIN-UHFFFAOYSA-N	377.531	4.531	70	10	GJIE	
C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[C@]2(O)CCCC[C@@H]2C1	160495757	UVWAQZNILYGOPV-BBEGDGIKSA-N	396.318	4.731	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccccc1	59080099	YGUMMQRUIZQQMU-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1C	159666657	LDXIXSDQLQRFPQ-KBXCAEBGSA-N	391.437	4.514	70	10	GJIE	
CNC(=O)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)c(Cl)c1	160232965	NZFSCRVRTQDAPY-UHFFFAOYSA-N	378.859	4.543	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)ccc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C	2095895195	FOINJRYZGFZHBD-MRXNPFEDSA-N	393.936	4.609	70	10	GJIE	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)Cn2ccc(=O)c3ccccc32)cc1	160412948	WIHNELIVRFPHGJ-QFIPXVFZSA-N	388.511	4.879	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1Cl	217279450	OVCBYTOSLFUHHJ-UHFFFAOYSA-N	385.851	4.544	70	10	GJIE	
CC1(CCCOc2c(Cl)cc(Br)cc2S(=O)(=O)F)CC1	2191426865	VEGILRQVPBSXMB-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
F[B-](F)(F)c1cnc(SCC2CC(C(F)(F)F)C2)c(Br)c1	2287325860	ASWNBIQVPYMZGP-UHFFFAOYSA-N	392.979	4.579	70	10	GJIE	
O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1c(F)cccc1F	217281267	FDZHWDZHDPDTLA-UHFFFAOYSA-N	399.397	4.538	70	10	GJIE	
COc1ccc(/C=C/C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1OC	217288901	GPZVYPXTPHUWMW-KRSRXSRCSA-N	383.463	4.652	70	10	GJIE	
C[C@H](c1ccc(C(F)(F)F)cc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952633599	UKDRBZCLCYFHSD-MRVPVSSYSA-N	387.807	4.682	70	10	GJIE	
C[C@H]1CC[C@@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)C1	2098990128	AWZFKWPHPZXIPL-IONNQARKSA-N	388.110	4.597	70	10	GJIE	
CC[C@@H]1CCC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)C1	112694501	JMURTRMACOIMNR-MNOVXSKESA-N	381.719	4.724	70	10	GJIE	
O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N1CCC[C@H]1c1ccco1	160988436	SGJZNXOXBCGCNG-INIZCTEOSA-N	390.365	4.853	70	10	GJIE	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1	161273660	JCDRLKKYYCQHSE-HNAYVOBHSA-N	396.491	4.513	70	10	GJIE	
CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133915515	XCBBEFYRJNOQBS-OAHLLOKOSA-N	393.279	4.692	70	10	GJIE	
O=C(c1cccc(Br)c1Cl)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194129914	MQNXULLCFGEBFS-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
F[B-](F)(F)[C@@H]1CCN(Cc2ccc(Br)cc2Br)C1	2303136146	OZUHZJAZCQIIPX-SECBINFHSA-N	385.838	4.635	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCC[C@@H](C)C1	112694580	CTMWFIKSMVKFOJ-SKDRFNHKSA-N	381.719	4.643	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)CCC(=O)c2ccc(F)c(F)c2)c2ccccn2)c1	159893056	WYFSXIQKGJBTFR-HSZRJFAPSA-N	394.421	4.537	70	10	GJIE	
Cc1cccc([C@H](NC(=O)c2cnc3onc(C(C)C)c3c2)c2ccccn2)c1	160127551	OANDVRFQBWCZNK-NRFANRHFSA-N	386.455	4.569	70	10	GJIE	
Cc1cc(Br)cc(C)c1NC(=O)N1CCC(C2CCOCC2)CC1	160596678	ZUEOVDSRNTZAOL-UHFFFAOYSA-N	395.341	4.736	70	10	GJIE	
CC(C)c1noc(CCCNC(=O)N2CCC[C@@H]2c2cccc3ccccc23)n1	161194894	DLBNTRJQZJUEFT-HXUWFJFHSA-N	392.503	4.826	70	10	GJIE	
C[C@@H](COc1c(Cl)cc(Br)cc1S(=O)(=O)F)C1CCC1	2191424932	YJOVWPNMRHPPTE-QMMMGPOBSA-N	385.682	4.576	70	10	GJIE	
Cc1cc(Br)c(NC(=O)N2CCC(C)CC2)c(Br)c1	160343984	REJMWHMSONAFPL-UHFFFAOYSA-N	390.119	4.784	70	10	GJIE	
C[C@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@@H](c2ccccc2)O1	161169198	YYMWTRCESYKWBZ-KXBFYZLASA-N	377.406	4.784	70	10	GJIE	
CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133912919	MOFWPXXTNOGPIA-KGLIPLIRSA-N	393.279	4.546	70	10	GJIE	
C=CCCCCCCOc1ccc(Br)cc1S(=O)(=O)Cl	2206897112	LHKPHTQEGHEKCR-UHFFFAOYSA-N	381.719	4.892	70	10	GJIE	
CN[C@@H](c1ccc(OC)cc1C)c1cc(Br)ccc1Br	159817995	ZWZOAGQMSATEJV-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
CC[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2	217313413	XCLMLMLKGFXXMX-FQEVSTJZSA-N	382.504	4.533	70	10	GJIE	
Cc1cc(OCCOCc2ccccc2)c(C(C)(C)C)cc1S(=O)(=O)Cl	311386815	ZKQVOHBRUCOBJW-UHFFFAOYSA-N	396.936	4.816	70	10	GJIE	
C=CCCC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)c1ccccc1	1131369127	UIRPSUOOGCHIFS-SFHVURJKSA-N	375.465	4.732	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)cccc1C(C)(C)CS(=O)(=O)Cl	1952633863	WXBCSRLNWMATOF-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)c(OCCC=CBr)c(Cl)c1	2051141516	YXPRBVWDIAQPSC-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
O=C(C1CC2(CC(OCc3ccccc3)C2)C1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194129575	LHGGJSQGMHHBGX-BMXNQAFVSA-N	392.250	4.602	70	10	GJIE	
Cc1nc(-c2cccc(NC(=O)N3CC[C@H](C)C[C@@H]3c3ccc(C)o3)c2)n[nH]1	159487858	NHMWRSNQCWJKCW-SCLBCKFNSA-N	379.464	4.687	70	10	GJIE	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)o1	160113555	XSXMNEDRKZCOCS-RXVVDRJESA-N	397.519	4.740	70	10	GJIE	
C[C@H](CCCCc1ccc(NC(=O)OC(C)(C)C)cc1)S(=O)(=O)Cl	1952730711	FFVWGSJTNBPYDU-CYBMUJFWSA-N	375.918	4.704	70	10	GJIE	
O=C(c1ccccc1S(=O)(=O)Cl)N(Cc1ccccc1)C1CCCCC1	2095912138	DAIRMSGGLDHHBS-UHFFFAOYSA-N	391.920	4.589	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)CCC(C)C	2146474948	ALYVYZZCQAYZDI-NSHDSACASA-N	383.735	4.889	70	10	GJIE	
COc1ccc(N(C)C(=O)c2cccc(OCc3cscn3)c2)cc1Cl	159888421	LKFGALZUWSQELJ-UHFFFAOYSA-N	388.876	4.661	70	10	GJIE	
C[C@@H](NC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)Oc1ccc(Cl)cc1	217294654	XIVMZLATFCHSLM-WCJKSNMJSA-N	376.928	4.969	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCCC[C@H]1C	704998844	BALHRVKWKUQGSC-BXKDBHETSA-N	381.719	4.643	70	10	GJIE	
C[C@@H](c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952628876	RQUXUDRTZASDEM-QMMMGPOBSA-N	387.807	4.682	70	10	GJIE	
Cc1cc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2194129569	VRRXTDALZRRCLM-AUUYWEPGSA-N	397.226	4.796	70	10	GJIE	
CCCn1ncc(Cl)c1[C@@H](CSc1cccc(Br)c1)NC	160782852	WRWVAQOWFILOEN-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1cccc(C(F)(F)F)c1	217293197	JFIKTUHTQONMNW-UHFFFAOYSA-N	394.374	4.913	70	10	GJIE	
O=S(=O)(F)c1ccc(OCCOCc2ccccc2)c(-c2ccccc2)c1	2191432347	NRVOCKXWVGSGOB-UHFFFAOYSA-N	386.444	4.607	70	10	GJIE	
ClC[C@@H](O[C@H](CCl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	82021800	AQTWOCCPBLHBEY-QWWZWVQMSA-N	377.737	4.958	70	10	GJIE	
CC(C)(C)c1ccc(C[C@H](N)c2ccccc2I)cc1	161283018	GACWQVFVUKOWAH-KRWDZBQOSA-N	379.285	4.831	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)Nc1cc(Cl)ccc1OC	217283082	PXJGQNAYZBTWGB-UHFFFAOYSA-N	376.840	4.950	70	10	GJIE	
O=S(=O)(c1ccc2ccccc2c1)N1CCCC[C@H](c2ccc(F)cc2)C1	217289407	CNZUTEPYLGRMCT-FQEVSTJZSA-N	383.488	4.937	70	10	GJIE	
CCCc1ccc(OCNC(=O)Nc2ccc(C)cc2Br)cc1	217294222	TUVUOZBJRJYDIL-UHFFFAOYSA-N	377.282	4.868	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	1879742319	CMDFIYYYYSAIIF-KGFZYKRKSA-N	387.437	4.618	70	10	GJIE	
CC(C)[C@@H](C)[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2365692450	ZMRYURCLGJYQKQ-BDAKNGLRSA-N	387.698	4.820	70	10	GJIE	
COc1ccc([C@H](C)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1NC(C)=O	160826074	PTMPZANZNQQHSG-SJORKVTESA-N	399.535	4.713	70	10	GJIE	
C[C@@H]1Cc2cc([C@@H](O)c3cc(Br)ccc3Br)ccc2O1	161035470	GUJIRYYWALBDMK-JDNHERCYSA-N	398.094	4.617	70	10	GJIE	
COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(SC)c(F)c2)cc1OC	161215547	HXUVCGRTCTUAHA-LSDHHAIUSA-N	393.524	4.993	70	10	GJIE	
Cc1cc(OCNC(=O)NCc2cccc(Br)c2)cc(C)c1Cl	217290846	ZOVSFYYOKMVWJJ-UHFFFAOYSA-N	397.700	4.555	70	10	GJIE	
O=C(CSCc1ccccc1)NCc1ccc(C(=O)c2ccccc2)s1	217294152	OUJBCHYDRICSFN-UHFFFAOYSA-N	381.522	4.529	70	10	GJIE	
Cn1cc(C(=O)c2ccc(I)cc2)c2ccc(Cl)cc21	159626895	CIHPFTOPFBCWMS-UHFFFAOYSA-N	395.627	4.667	70	10	GJIE	
CCc1cccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1	160302643	XBAIYOAEURLWMA-UHFFFAOYSA-N	382.847	4.929	70	10	GJIE	
CCOc1c(Br)cc(Br)cc1CNCCCC1CC1	161397661	VVBMYJNWJVPRNX-UHFFFAOYSA-N	391.147	4.890	70	10	GJIE	
O=C(CCc1cccc(Cl)c1)NCc1ccc(C(=O)c2ccccc2)s1	217294811	ZYXBGKDDOJALCB-UHFFFAOYSA-N	383.900	4.882	70	10	GJIE	
CCOc1ccc(CC(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1	218533643	ULPGUHOUCVIXJB-UHFFFAOYSA-N	377.469	4.643	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CC[C@@](C)([B-](F)(F)F)C1	2342482394	MIKIHRAEJLXKHH-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccccc1Br	88270449	MPUBHCXNHXTZIX-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC[C@@H]1CCCC[C@H]1Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	160227146	QBQQMMNXRLYGBM-BXKDBHETSA-N	399.709	4.863	70	10	GJIE	
O=C(c1cc(Br)ccc1Br)N(Cc1ccco1)C1CC1	160383348	PUDPTLYZZSNRSV-UHFFFAOYSA-N	399.082	4.609	70	10	GJIE	
Cc1ccn(-c2ccccc2NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n1	161339126	LROUJBRYWSEPED-UHFFFAOYSA-N	394.450	4.557	70	10	GJIE	
F[B-](F)(F)c1cnc2c(N(Cc3ccccc3)Cc3ccccc3)ccnc2c1	1956965509	KXPLBOPGCLNJNO-UHFFFAOYSA-N	392.213	4.891	70	10	GJIE	
Cc1ncc([B-](F)(F)F)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1	2052601119	GDVWDDNESNUCJB-ZDUSSCGKSA-N	376.236	4.669	70	10	GJIE	
O=S(=O)(Cl)C[C@H](COc1c(Cl)cc(Cl)cc1Cl)C1CC1	701866990	ANVRTTLPWXERCJ-QMMMGPOBSA-N	378.104	4.620	70	10	GJIE	
CC(C)(C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	1961724553	TWRHSWWELSKYGE-UHFFFAOYSA-N	386.044	4.704	70	10	GJIE	
O=S(=O)(Cl)c1cc(OCc2ccccc2Cl)cc(C(F)(F)F)c1	103604262	MBGAICBZUBIKNG-UHFFFAOYSA-N	385.190	4.865	70	10	GJIE	
CCOc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1Br	109526757	PEKIRWIYSIPKMI-UHFFFAOYSA-N	391.670	4.568	70	10	GJIE	
Cc1cc(Br)c(NC(=O)N2CCC[C@@H](C)C2)c(Br)c1	160343719	WPVGREKHCPGBOP-SECBINFHSA-N	390.119	4.784	70	10	GJIE	
Cc1ccc(Br)cc1[C@H](N)Cc1ccc(F)cc1Br	161430663	HFJWACQELBENOH-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1cc(Br)cc(CO)c1OCc1ccccc1Br	160847413	MZJSJYVGKFUQNG-UHFFFAOYSA-N	386.083	4.591	70	10	GJIE	
CC[C@H](C)NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298454	UGEMJQIURRLJBG-ZDUSSCGKSA-N	385.346	4.613	70	10	GJIE	
Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(c3ccn[nH]3)CC2)c1	160542868	MRRJONTZMZKSKJ-HSZRJFAPSA-N	388.515	4.586	70	10	GJIE	
Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c(OCCN(C)C)c1	160681352	DAPFECPFVBSIGO-PKOBYXMFSA-N	385.508	4.534	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(C(C)(C)CS(=O)(=O)Cl)ccc1Cl	1952621425	BONRLUADRUDYJJ-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
Cc1cc(C[C@H](C)NC(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)n[nH]1	159470536	GRBGZXSVNHQYNZ-WMZOPIPTSA-N	392.503	4.919	70	10	GJIE	
CN[C@H](Cc1ccc(F)cc1Cl)c1cccc(I)c1	160612321	XAVNRMSXXPGZMG-OAHLLOKOSA-N	389.639	4.587	70	10	GJIE	
Cc1nc2ccc(NC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc2nc1C	217301958	LCVFODXSGHCDMY-SCUMNGBJSA-N	378.520	4.973	70	10	GJIE	
CCCCOc1ccc(NC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1	217606491	RKEJMPYJIXCJCA-QHCPKHFHSA-N	394.471	4.559	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1	2190466384	ZQEXYFPCTSQHST-HNNXBMFYSA-N	397.226	4.887	70	10	GJIE	
COc1ccc(OC)c([C@@H](C)NCc2nc(-c3c(F)cccc3F)cs2)c1	161417708	CHBQKHUEBMTBOF-GFCCVEGCSA-N	390.455	4.956	70	10	GJIE	
CCc1nnc(-c2ccc(NC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)cc2)o1	161447744	BFDAHUJZBZXQQV-WMLDXEAASA-N	380.448	4.897	70	10	GJIE	
CC1(C)C[C@H]1CCCOc1ccc(Br)cc1S(=O)(=O)Cl	2144401185	YLSKZSPZZRSSGX-SNVBAGLBSA-N	381.719	4.582	70	10	GJIE	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NC2CCN(c3ccccc3)CC2)C1	160901309	XMUQIDGBFRMGBT-OFNKIYASSA-N	386.580	4.927	70	10	GJIE	
C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCOCC1	161111389	ZBTQROHOZOOHOB-OAHLLOKOSA-N	380.513	4.888	70	10	GJIE	
C[C@H](CCOc1ccc(OCc2ccccc2)cc1)CCS(=O)(=O)Cl	303148938	USCMBRMMCFTSFA-MRXNPFEDSA-N	382.909	4.629	70	10	GJIE	
CC(C)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160813617	XYLCEAQMOQNYEJ-ROUUACIJSA-N	376.504	4.674	70	10	GJIE	
COc1ccc(Br)c(NCc2ccc(Br)c(F)c2)c1	161325692	WPXIVEZEZMNOFN-UHFFFAOYSA-N	389.062	4.971	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1	217283481	QGHOJQJMEALIDN-PKOBYXMFSA-N	379.504	4.602	70	10	GJIE	
CC[C@@H](C)N(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br	1961709806	CSRKLOMYUAAUHY-GFCCVEGCSA-N	386.044	4.704	70	10	GJIE	
O=S(=O)(Cl)c1cc(OC(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F	2055422707	MWWADZUECGTAFD-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
C[C@H](C(=O)N1CCC([B-](F)(F)F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1	2239521771	XZEMAKGOQARLCS-ZDUSSCGKSA-N	399.242	4.977	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1F	2342483547	USBDABCAZFCOJQ-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
CN[C@@H](CSc1cccc(Br)c1)c1c(Cl)cnn1C(C)C	160781767	MWODVVYZQDZWAG-AWEZNQCLSA-N	388.762	4.933	70	10	GJIE	
COc1ccc([C@@H](O)c2cc(Br)ccc2Br)cc1C	161036373	RIVJIJSDDGUGDP-OAHLLOKOSA-N	386.083	4.610	70	10	GJIE	
CCS[C@H](C)c1noc(CSCc2nc(-c3ccc(C)cc3)no2)n1	161368823	INAVCAAOVFLYGU-GFCCVEGCSA-N	376.507	4.676	70	10	GJIE	
C[C@H](C(=O)N1CC[C@@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2342479148	DNBOPDVYDHCJAW-GXTWGEPZSA-N	385.215	4.587	70	10	GJIE	
CC[C@H]1CCCC[C@@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	111779790	AMUXFNNXJSYLEX-GWCFXTLKSA-N	381.719	4.724	70	10	GJIE	
Cc1nc(COc2cc(Cl)c(S(=O)(=O)Cl)cc2Cl)sc1C	215823006	BDZDKKDUWKVDRZ-UHFFFAOYSA-N	386.709	4.573	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)N2CCCCC2)c(Br)c1	217298540	CGWZDJOFKCHWEY-UHFFFAOYSA-N	397.357	4.711	70	10	GJIE	
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1cccnc1	160831487	HKGGEKODGITHII-LBPRGKRZSA-N	390.274	4.516	70	10	GJIE	
Cc1cc(O[C@H](c2ccc(Br)cc2)[C@@H](C)N)ccc1Br	161485925	DMEMPNJWWFSGJW-BZNIZROVSA-N	399.126	4.987	70	10	GJIE	
CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccccc2Cl)cc1	217299604	YEJVNVODEFYBRU-UHFFFAOYSA-N	388.939	4.948	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)Nc2cccc(-c3noc(C)n3)c2)c2ccccn2)c1	160259176	LZUIMFNDOTUIDE-OAQYLSRUSA-N	399.454	4.660	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1cc(Cl)ccc1Br	708172740	XNGVQVXPZDNIRB-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
C[C@H](CC(=O)N1CCC(CN2CCCC2)CC1)c1cccc(C(F)(F)F)c1	160086357	GZXUTMZVCNTWLD-MRXNPFEDSA-N	382.470	4.533	70	10	GJIE	
CNC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(Cl)c1	160293591	ASJJYUQTSKOCCQ-UHFFFAOYSA-N	392.886	4.737	70	10	GJIE	
Cc1ccc(Br)c([C@@H](N)Cc2cc(Br)ccc2F)c1	160421637	QWMBIDRFNWEBGI-HNNXBMFYSA-N	387.090	4.902	70	10	GJIE	
CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342575952	CARMODLBTYODQB-UGSOOPFHSA-N	393.279	4.546	70	10	GJIE	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCO[C@@H](c2cccs2)C1	161414601	OAQOISPECRJFMJ-OAHLLOKOSA-N	388.489	4.533	70	10	GJIE	
Cc1cc(O[C@H](c2ccccc2Br)[C@H](C)N)ccc1Br	161495896	KDIUZYRXVIGXMT-ZBEGNZNMSA-N	399.126	4.987	70	10	GJIE	
CC(C)[C@@H](C)[C@@H](C)Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	2365690992	QAWIGHXOJUKDEY-RKDXNWHRSA-N	387.698	4.575	70	10	GJIE	
CC[C@@H](COc1ccc2ccccc2c1Br)CS(=O)(=O)Cl	115562277	BZIBHSJJSXTZJZ-NSHDSACASA-N	391.714	4.576	70	10	GJIE	
Fc1ccc(Br)c(OCCNc2cccc(Br)c2)c1	160608045	XBJNDZUVVORPFU-UHFFFAOYSA-N	389.062	4.842	70	10	GJIE	
CCCCCOc1cc(-c2nc(C)c(S(=O)(=O)Cl)s2)ccc1OC	103859892	CLEGAOUTKXKAAO-UHFFFAOYSA-N	389.926	4.624	70	10	GJIE	
Cc1ccccc1[C@@H](CC(C)C)NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F	159756415	RYLZZYGOSKUTDV-QGZVFWFLSA-N	396.457	4.676	70	10	GJIE	
O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	161046807	BTAWDLIPZRHYRK-UHFFFAOYSA-N	392.286	4.561	70	10	GJIE	
C[C@H](NCc1nc2cc(Br)ccc2[nH]1)c1cccc(OC(F)F)c1	161447248	ILFYWKIEIPXUAM-JTQLQIEISA-N	396.235	4.778	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC1C[C@H](C)C[C@@H](C)C1	113948790	QGJYXHAKECQBND-NXEZZACHSA-N	395.746	4.889	70	10	GJIE	
C[C@H]1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)[C@H](c2ccco2)C1	159930890	DLTCGQHUSCSMIM-HKUYNNGSSA-N	394.475	4.560	70	10	GJIE	
C=C(Br)CCOc1ccc(S(=O)(=O)Cl)cc1[C@@H](C)CC	2163423250	LVJNRLDMCJPRDR-JTQLQIEISA-N	381.719	4.805	70	10	GJIE	
C[C@@H](CCC[C@@H](C)C(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231059199	CYJHYFQZBSVMQR-KGLIPLIRSA-N	393.279	4.546	70	10	GJIE	
Cc1cc(N2CCCC2)ccc1NC(=O)NCc1cccc(-c2ccccn2)c1	159898316	JQQBGNYCPFIAMV-UHFFFAOYSA-N	386.499	4.979	70	10	GJIE	
Fc1ccc(-c2nc(CN3CCCC[C@H]3c3nnc4n3CCCC4)cs2)cc1	160596934	FXYNCWIPCDFPDO-SFHVURJKSA-N	397.523	4.604	70	10	GJIE	
C[C@H](NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(-n2ccnc2)cc1	161085517	YKBLGYCSAGVCTI-BHAIHPKMSA-N	386.543	4.719	70	10	GJIE	
O=C(c1ccc(S(=O)(=O)Cl)cc1)N(Cc1ccccc1)C1CCCCC1	2095913806	ZWWCJVMPLCODHW-UHFFFAOYSA-N	391.920	4.589	70	10	GJIE	
O[C@H](c1cccc(OC2CC2)c1)c1cc(Br)ccc1Br	159952831	HVZBUEOGHLZZLQ-MRXNPFEDSA-N	398.094	4.835	70	10	GJIE	
CC(C)[C@H](NC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccc(C(F)(F)F)cc1	160445921	VBDMIISSQSISRR-SFHVURJKSA-N	394.441	4.715	70	10	GJIE	
CCCCOc1ccc(C(=O)N(CCc2cccs2)C2CCOCC2)cc1	217291322	AVXWZWSBKXXXRM-UHFFFAOYSA-N	387.545	4.791	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)cc1Cl)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1	2116127638	AMYVILYIHVUZSP-IRXDYDNUSA-N	397.657	4.610	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(C)c1	217268398	NGXWFNQWMGKBFG-UHFFFAOYSA-N	387.480	4.511	70	10	GJIE	
C=C(Br)CCOc1cc(C(C)C)c(S(=O)(=O)Cl)cc1C	2163423577	PFDKZDKUEAJSRE-UHFFFAOYSA-N	381.719	4.723	70	10	GJIE	
O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC(C2CCOCC2)CC1	160274072	NOIHRWSGOMVIGS-UHFFFAOYSA-N	399.466	4.684	70	10	GJIE	
CCCCOc1ccc(-c2nc(C)c(S(=O)(=O)Cl)s2)cc1OCC	103859644	ASUVCVQZEWPVBN-UHFFFAOYSA-N	389.926	4.624	70	10	GJIE	
C[C@H]1CC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C[C@H](C)C1	160221374	BOLDTUONXZNTSJ-RKDXNWHRSA-N	399.709	4.719	70	10	GJIE	
CC(C)CN(CC(C)C)C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281373	DVGVELQIIXASHJ-UHFFFAOYSA-N	399.535	4.761	70	10	GJIE	
C[C@H](CC(=O)N(C[C@H]1CCCO1)c1ccncc1)c1cccc(C(F)(F)F)c1	160008059	KHDPQGYOHRCNQV-DNVCBOLYSA-N	392.421	4.806	70	10	GJIE	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccc(-c2ccccc2)cc1	160516626	APPHJYZHDAVRSR-CQSZACIVSA-N	388.393	4.995	70	10	GJIE	
O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281221	RZWHSCFMPZAIGX-UHFFFAOYSA-N	397.862	4.913	70	10	GJIE	
COc1ccc(Br)c(C(=O)N2CCCC[C@H](c3ccccc3)C2)c1	217287186	WPSAFNIEEWNDCT-INIZCTEOSA-N	388.305	4.868	70	10	GJIE	
CC[C@H](C)[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	319974292	IUESDTCZNMHURU-YUMQZZPRSA-N	390.126	4.843	70	10	GJIE	
C[C@H](c1cc(Cl)cc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952630070	JPDZQRWMUIAUMQ-SSDOTTSWSA-N	388.700	4.970	70	10	GJIE	
O=S(=O)(Cl)c1ccc(C(F)(F)F)c(C(F)(F)F)c1OC(F)(F)F	2055422536	UUPMTUWMQAGOKC-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
CC1(COc2ccc(S(=O)(=O)Cl)cc2Br)CCCCC1	2150825180	UTFPSFZUDUZCQL-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
CCC1CCC(Oc2ccc(Br)cc2S(=O)(=O)Cl)CC1	113971790	CPVIXVIDHXWCPX-UHFFFAOYSA-N	381.719	4.724	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1CC[C@H](C)C1	2157874854	BJRSJYFNEKJTKV-ONGXEEELSA-N	381.719	4.500	70	10	GJIE	
O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1	161021013	CPXSKLOHQRDTHB-RBUKOAKNSA-N	390.405	4.534	70	10	GJIE	
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CCSc3ccccc3Cl)cc2)n1	161208419	RABHENZFUMQKEF-UHFFFAOYSA-N	399.903	4.520	70	10	GJIE	
Cc1noc(-c2sccc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1	217285796	MQWIFKLUZMHAKV-UHFFFAOYSA-N	375.453	4.955	70	10	GJIE	
O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1	217752655	LBNHDSUKGJLAAA-UHFFFAOYSA-N	377.415	4.821	70	10	GJIE	
CN(Cc1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1)C(=O)OC(C)(C)C	2239523961	VYEBFDIDOVSJRY-UHFFFAOYSA-N	399.242	4.507	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)CC1CCC1	2360321177	OBXKLDFJGLGIEU-SNVBAGLBSA-N	381.719	4.643	70	10	GJIE	
O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ncc(-c3cccs3)o2)C1	161118484	USRWLUOXBQRDGO-CABCVRRESA-N	394.418	4.730	70	10	GJIE	
CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133912918	MOFWPXXTNOGPIA-KBPBESRZSA-N	393.279	4.546	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CCC[C@@H]1C	2197461507	MRHNMFUKJGECGG-JOYOIKCWSA-N	381.719	4.506	70	10	GJIE	
CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)cc1	216766262	WZMWURQTSLQHLI-CYBMUJFWSA-N	394.393	4.717	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cc(C)ccc2OC)cc(OCC)c1OCC	217274577	RBYGXEGYFKKVOQ-UHFFFAOYSA-N	388.464	4.844	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(C(F)(F)F)cc1	217286285	HACIWQXRXXASDK-UHFFFAOYSA-N	379.363	4.947	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCCCCCC1CC1	2145294691	TUQNVKWRBDWNND-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2190462051	HAUKKKDGVTWXHQ-OAHLLOKOSA-N	399.242	4.806	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342473046	VUYJZQUBZAHABM-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
CC(C)c1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)nn1C(C)(C)C	159422273	DYQHRTFYQDULSF-HKUYNNGSSA-N	383.536	4.659	70	10	GJIE	
C[C@H](N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnn2)cc1	159903504	QFFKDDFLCMSILK-UONOGXRCSA-N	376.382	4.578	70	10	GJIE	
O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCO[C@H](c2cccs2)C1	161238555	NRPAOOGRRFEWBC-HNNXBMFYSA-N	390.917	4.739	70	10	GJIE	
CCOc1ccc(OCNC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1	217307516	OLRHLOXGSOZJTC-UHFFFAOYSA-N	377.444	4.987	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2194125882	DBTJAICQYMHLBS-IFXJQAMLSA-N	397.226	4.796	70	10	GJIE	
CC(F)(F)CCCCOc1ccc(S(=O)(=O)Cl)cc1Br	2201703526	SRGFOFBVYBLWOG-UHFFFAOYSA-N	391.661	4.581	70	10	GJIE	
C[C@H]1C[C@H]1CCCCOc1ccc(S(=O)(=O)Cl)cc1Br	2280448732	XZZMTSKMOIWBEG-WDEREUQCSA-N	381.719	4.582	70	10	GJIE	
CC1(C)CC[C@@H](COc2ccc(Br)cc2S(=O)(=O)Cl)C1	2367469071	IMOKLKXIUAICBI-SNVBAGLBSA-N	381.719	4.582	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1	1879742318	CMDFIYYYYSAIIF-KBUNVGBDSA-N	387.437	4.618	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC([B-](F)(F)F)CC2)c1	2231052623	HZSRYRMEUQXNDA-UHFFFAOYSA-N	389.178	4.626	70	10	GJIE	
CCCCCOc1cc(OC)ccc1-c1nc(C)c(S(=O)(=O)Cl)s1	103874639	ASTOUBRJFBIANA-UHFFFAOYSA-N	389.926	4.624	70	10	GJIE	
CCCCN(Cc1ccccc1Cl)C(=O)Nc1ccn(CC(F)(F)F)n1	160714593	NWSZIVXVJXGRBL-UHFFFAOYSA-N	388.821	4.933	70	10	GJIE	
C[C@H]1CC[C@@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@@H]1C	113962177	UDPUUGDEGNBOOV-JBLDHEPKSA-N	381.719	4.580	70	10	GJIE	
Clc1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c2ncccc12	160611772	AMEFEHPMIQCXOE-SFHVURJKSA-N	381.911	4.543	70	10	GJIE	
COc1cc(NC(=O)N2CCCC[C@H](c3ccccc3)C2)cc(OC)c1OC	217288132	QGDFZUXBVXILLC-KRWDZBQOSA-N	384.476	4.514	70	10	GJIE	
CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([B-](F)(F)F)CC1	2231048901	OJSYMAANDZMQKE-AWEZNQCLSA-N	393.279	4.546	70	10	GJIE	
CC(=O)N1CCCc2cc(NC(=O)NCc3ccc(Cl)cc3Cl)ccc21	160835367	JYSYUMHSWXAFES-UHFFFAOYSA-N	392.286	4.614	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161456123	ZENZTXCSZZXEQI-IBGZPJMESA-N	397.475	4.866	70	10	GJIE	
Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC([B-](F)(F)F)CC1	2231054939	TXPWQPUAPCHGIF-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	161044847	BDMPJRFXRSCKPT-PVAVHDDUSA-N	397.437	4.687	70	10	GJIE	
NC[C@@H](c1c(Cl)cccc1Cl)[C@H](O)c1c(F)cccc1Br	161327931	ANQIRBCVVYSZPP-AYVTZFPOSA-N	393.083	4.671	70	10	GJIE	
Cc1ccc(C)c(OCC(=O)Nc2ccccc2-c2cn3ccsc3n2)c1	218547331	LJHBROVDMIDALM-UHFFFAOYSA-N	377.469	4.697	70	10	GJIE	
CC(C)(C)C[C@@H](CC(=O)N1CCC[C@@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2133911982	FBPLFAZXSHHYHJ-ZIAGYGMSSA-N	393.279	4.546	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)CC1CC1	2360320264	FCAJYVXFGAKQSH-VIFPVBQESA-N	381.719	4.506	70	10	GJIE	
CCN[C@@H](CSc1ccccc1Cl)c1c(Br)cnn1CC	160751203	OYWZLIJRLJBCRE-ZDUSSCGKSA-N	388.762	4.762	70	10	GJIE	
CN[C@@H](CSc1cccc(Cl)c1)c1c(Br)cnn1C(C)C	160757954	OHHCDDUCHSDLIA-AWEZNQCLSA-N	388.762	4.933	70	10	GJIE	
CCOc1cc(NC(=O)NCc2ccccc2Cl)cc(OCC)c1OCC	217274388	MFGZZTASVPUHKW-UHFFFAOYSA-N	392.883	4.858	70	10	GJIE	
CC(C)C[C@H](C)Oc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	302601940	WICJKHJCWDDSTL-QMMMGPOBSA-N	390.126	4.843	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H](C)C1CCC1	398802654	IUGUAAKBLQHWRY-SNVBAGLBSA-N	381.719	4.500	70	10	GJIE	
Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1	159637157	YOJWBIUWMFADPN-CZUORRHYSA-N	395.425	4.579	70	10	GJIE	
O=C(c1ccccc1)C1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)CC1	160241559	WHPXYDVMTBWEJN-UHFFFAOYSA-N	399.494	4.553	70	10	GJIE	
O=c1ccccn1Cc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1	161054655	RBUQGCBQSKGBJZ-OAQYLSRUSA-N	394.902	4.554	70	10	GJIE	
O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ncc(-c3cccs3)o2)C1	161118236	USRWLUOXBQRDGO-GJZGRUSLSA-N	394.418	4.730	70	10	GJIE	
CC1(C)CC[C@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191429019	USPNDEDXVWFIHW-VIFPVBQESA-N	385.682	4.718	70	10	GJIE	
C[C@@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1)c1cccnc1	160694762	LLBNPRJQNGNRSB-MRXNPFEDSA-N	399.416	4.828	70	10	GJIE	
CC(C)CNCc1oc2c(I)cccc2c1CC(C)C	161427553	JRZLQAIUJINPSW-UHFFFAOYSA-N	385.289	4.982	70	10	GJIE	
CC(C)c1n[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1	161445196	DOKXLJXQAKSHEU-GJZGRUSLSA-N	382.414	4.616	70	10	GJIE	
COCCCCN(Cc1ccccc1)c1ncc([B-](F)(F)F)c2ccsc12	2116132078	IWPOZYSCXNZRRY-UHFFFAOYSA-N	393.263	4.784	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)c1	2319679926	KZUIFNPRHBBKLF-LLVKDONJSA-N	391.606	4.751	70	10	GJIE	
C/C(=C/C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1Cl	216990762	MYTQTVWELWRTNE-PFONDFGASA-N	392.927	4.601	70	10	GJIE	
CC[C@H](NC(=O)NCCC(=O)c1ccc(C)cc1)c1ccc2c(c1)CCCC2	217281719	UIQIPMKYJGDNSH-QFIPXVFZSA-N	378.516	4.897	70	10	GJIE	
COc1ccccc1-c1cc(C(=O)N2CCCC[C@@H](c3ccccc3)C2)n(C)n1	217288027	HKDLZOXFSDHIBB-LJQANCHMSA-N	389.499	4.506	70	10	GJIE	
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)o1	160876670	LPMXLKSFETWMIZ-MGPUTAFESA-N	397.519	4.857	70	10	GJIE	
Cc1nc(C)c([C@H](C)N(C)Cc2nc3cc(Br)ccc3[nH]2)s1	159544708	NSNULSKYNDBOSL-JTQLQIEISA-N	379.327	4.592	70	10	GJIE	
O=C(c1ccco1)c1ccc(CNC(=O)C2(c3cccs3)CCCC2)s1	217292632	PZLOVDARWUTCNH-UHFFFAOYSA-N	385.510	4.762	70	10	GJIE	
COc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2)cc1	217299319	LSKYDJVMTGSSRE-QGZVFWFLSA-N	384.520	4.822	70	10	GJIE	
Brc1cc(CN[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)oc1Br	217576056	KIKMFNPAISFYLS-YSUWEYJASA-N	389.131	4.719	70	10	GJIE	
C[C@H]1CCC[C@H](COc2ccc(Br)cc2S(=O)(=O)Cl)C1	383734731	JCGRUTNWZSVCKX-QWRGUYRKSA-N	381.719	4.582	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCC1CC(C)(C)C1	723569669	VBCIWUFIYYSQKO-UHFFFAOYSA-N	381.719	4.500	70	10	GJIE	
COc1cc(Br)ccc1[C@H](N)c1cc(C)c(Br)cc1C	160647595	YTOBDWLSPVMSSJ-INIZCTEOSA-N	399.126	4.885	70	10	GJIE	
CSc1ccc([C@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1F	161059021	YVLAVSRUTOMUAL-INIZCTEOSA-N	382.504	4.608	70	10	GJIE	
COc1ccc([C@@H](C)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(OC)c1	161096107	CURDMUCETMHFHT-LBFURVHYSA-N	380.532	4.550	70	10	GJIE	
Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1	161457010	NHLVZZLFHXFZAG-KBXCAEBGSA-N	383.448	4.550	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(Cl)c1C(C)(C)CS(=O)(=O)Cl	1952632986	PMIDMMGDDKYSBJ-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
Cc1nc(-c2cccc(OCc3ccccc3F)c2)sc1S(=O)(=O)Cl	103862111	QFXDDJLEAUSGLD-UHFFFAOYSA-N	397.880	4.764	70	10	GJIE	
Cc1cc(OCc2cccc(Br)c2)cc(C)c1S(=O)(=O)Cl	112360054	HTSRGGJFJBMFHW-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CCc1ccc(Cl)c(CC)c1NC(=O)NCc1cn(C)nc1C(F)(F)F	159822887	OIVPLGAKAYJOIP-UHFFFAOYSA-N	388.821	4.539	70	10	GJIE	
Cc1cc(F)c([C@@H](N)c2cc(Br)ccc2Br)cc1F	159885058	OMNHACABPSSJPO-AWEZNQCLSA-N	391.053	4.846	70	10	GJIE	
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1ccncc1	160781126	IRHVYKAXWLRBMS-LBPRGKRZSA-N	390.274	4.516	70	10	GJIE	
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn(C(C)(C)C)c1	161363126	PHOOOZUBLFEZQF-UHFFFAOYSA-N	396.457	4.506	70	10	GJIE	
COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)oc2c1	161408122	OYTGAJINLQEDKQ-CQSZACIVSA-N	389.455	4.501	70	10	GJIE	
Cc1cc(I)ccc1NC(=O)NCCC1CCCCC1	217305114	YSFQFNUREJFVEV-UHFFFAOYSA-N	386.277	4.692	70	10	GJIE	
Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)cc1F	226417369	HMPJFDUESSBCQA-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
C[C@@H]1CC[C@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)[C@H](C)C1	2152486251	JTVKYRXDRUWKJF-BREBYQMCSA-N	381.719	4.580	70	10	GJIE	
CC(C)[C@@H](CCCC(=O)N1CC[C@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342484298	BDRMGSISSMTOLH-KDOFPFPSSA-N	393.279	4.546	70	10	GJIE	
Cc1cc(Oc2ccc(F)cc2Br)ccc1S(=O)(=O)Cl	59261401	CCNFTQPYTFCBBT-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
Cc1nc2ccc(NC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2nc1C	217301957	LCVFODXSGHCDMY-LRYXAPPNSA-N	378.520	4.973	70	10	GJIE	
FC(F)(F)c1ccc(Br)c(NC(=S)NCc2ccccc2)c1	218189826	YEVAVPPKNXFQTI-UHFFFAOYSA-N	389.240	4.955	70	10	GJIE	
O=S(=O)(Cl)c1cccc(Oc2ccc(Br)c(Cl)c2)c1	313501912	ACWBOGQNYMCWPQ-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC(C)c1cc(S(=O)(=O)F)ccc1OC[C@@H](C)COCc1ccccc1	1875866181	WANRSIOUMRXBGD-INIZCTEOSA-N	380.481	4.700	70	10	GJIE	
Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161462219	IQZYIJBZXCIMEV-GOSISDBHSA-N	383.448	4.612	70	10	GJIE	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccccc1I)C2	217437960	LLZKPOYFTONYCN-YLVFBTJISA-N	384.257	4.663	70	10	GJIE	
O=C(N/C=C/c1cccc(Br)c1)NC12CC3CC(CC(C3)C1)C2	218082250	SBLRMMVUUZPGPO-SNAWJCMRSA-N	375.310	4.688	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(C)(C)CS(=O)(=O)Cl)cc1Cl	1952625092	GEQPGDIQOVJIGP-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCCCC1CCC1	2191423442	GWCYQERQRBSVCV-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
O=C(c1ccc(Br)cc1Cl)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194129564	LEHKDSWEAMTQKG-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
CCCC1(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)CC1	2195194480	VBARXLDRCNBZHC-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
CC(C)=C(CN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21)[B-](F)(F)F	2340128982	DFPXUJQLNPZSOH-JKBKZWBZSA-N	377.283	4.552	70	10	GJIE	
CC[C@H](NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1)c1nccs1	160149094	DXXIXLCEMKVBJI-HKUYNNGSSA-N	380.517	4.581	70	10	GJIE	
Cc1cc(Oc2ccc(S(=O)(=O)Cl)c(C)c2)ccc1Br	161503010	BUKAMBYGWIXJFA-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CCC1(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)CCC1	312517279	NYSKEFGVYZOTJI-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C1CCC(F)(F)CC1	160677803	HGZWUSUXNNUWKP-CQSZACIVSA-N	378.463	4.631	70	10	GJIE	
C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1	160901447	AGUITAGCOLNCSH-IEGUWTFLSA-N	392.547	4.545	70	10	GJIE	
CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1nccs1	161149611	XLABEWUYNZXWEB-QFBILLFUSA-N	379.529	4.802	70	10	GJIE	
O=C(c1csc(-c2ccccc2Cl)n1)N1CCO[C@H](c2cccs2)C1	161429945	OZWYAINVOPMQBQ-HNNXBMFYSA-N	390.917	4.739	70	10	GJIE	
CC(C)c1ccc(O[C@@H](C)NC(=O)NCc2ccc(Br)cc2)cc1	217296728	KUCNQJHWGYDIHP-AWEZNQCLSA-N	391.309	4.797	70	10	GJIE	
Cc1cccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3Br)o2)n1	160206035	FQPHQRFXOZPZSL-KRWDZBQOSA-N	399.292	4.540	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1Cl	217280271	ZDHAFXULNYZSDD-UHFFFAOYSA-N	385.851	4.687	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1C[C@H]2CC[C@H]1C2	250967052	ZPIVWVANTYGZQB-SRVKXCTJSA-N	393.730	4.500	70	10	GJIE	
F[B-](F)(F)c1cnc(OCc2ccc(Cl)cc2Cl)c(Br)c1	2239767268	OWDZOSZIKYPHPL-UHFFFAOYSA-N	399.810	4.784	70	10	GJIE	
CCC(CC)CCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	2363464897	APALEFAIQGIBDK-UHFFFAOYSA-N	387.698	4.721	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)cc(Cl)c1O[C@@H]1C=CCCC1	123458043	RUEVKYWZFSBYKP-SECBINFHSA-N	386.094	4.518	70	10	GJIE	
C[C@H]1CCC[C@H](OCCCCCC(=O)NC2CCN(c3ccccc3)CC2)C1	160901446	XMUQIDGBFRMGBT-REWPJTCUSA-N	386.580	4.927	70	10	GJIE	
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3oc4c(C)ccc(C)c4c3C)cc2)n1	161148591	DUIBBTLZOPJTNU-UHFFFAOYSA-N	387.439	4.669	70	10	GJIE	
O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cccc(Br)c1	217286255	FYGBDZOTZHWOIR-UHFFFAOYSA-N	390.262	4.690	70	10	GJIE	
CCOc1ccc(NC(=O)NCCCOc2ccccc2Cl)cc1OCC	217299989	QGRZRSQPDYLHNH-UHFFFAOYSA-N	392.883	4.728	70	10	GJIE	
C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C1	252471060	GNULAJFGJTXTIS-IAZYJMLFSA-N	381.719	4.580	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(Cl)ccc(Cl)c1C=CS(=O)(=O)Cl	1952291471	MRKOUWJGUGMPKS-UHFFFAOYSA-N	386.684	4.880	70	10	GJIE	
CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1	59082304	GQSRQOZMNOGHKF-UHFFFAOYSA-N	396.734	4.676	70	10	GJIE	
O=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(Br)cc1	88270394	RCJSNHUNVRUONQ-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CCN[C@@H](Cc1ccc(CC)s1)c1ccc(I)cc1	161134702	GBFWAVDOYBIGTR-INIZCTEOSA-N	385.314	4.808	70	10	GJIE	
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCCN1c1ccccc1	217818603	YOWHIGYADVTBQV-QGZVFWFLSA-N	395.890	4.702	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1O[C@@H]1C=CCCCC1	2196210926	YWECUWHEZVZOBU-SNVBAGLBSA-N	383.666	4.638	70	10	GJIE	
Cc1cc(C(=O)Nc2ccccc2I)c(Cl)cc1F	161156766	AREDHJYEFGSOEP-UHFFFAOYSA-N	389.595	4.644	70	10	GJIE	
O=C(N/C=C/c1cccc(Cl)c1)NCCc1ccc(Br)cc1	218050300	XAQLIJPCDZXKIL-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
F[B-](F)(F)c1ccc2nc(N(Cc3ccccc3)CC(F)(F)F)sc2c1	2264342556	AQLOJGSFZRGMFR-UHFFFAOYSA-N	389.153	4.920	70	10	GJIE	
C[C@H](NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)c1ccc(-c2cccnc2)cc1	159443599	LEVXIPZFMJQWCU-ROUUACIJSA-N	389.499	4.788	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	160565869	HHOKLFFRQAAJDY-HNNXBMFYSA-N	380.875	4.811	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O	217279539	PCYNLCVDIYQAPB-UHFFFAOYSA-N	393.487	4.707	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccccc2Br)c(Cl)c1	59061530	CDVARNUKLKSIFV-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cc(Cl)ccc2O)cc(OCC)c1OCC	217274655	VGVRZDGTLNJDLG-UHFFFAOYSA-N	394.855	4.886	70	10	GJIE	
CCOc1cc(NC(=O)Nc2cc(Cl)ccn2)cc(OCC)c1OCC	217275318	KHYLHTVFUYDIAQ-UHFFFAOYSA-N	379.844	4.575	70	10	GJIE	
O=S(=O)(Cl)c1cc(Br)ccc1OCC1CCC=CCC1	2145552736	ZUDJZVVZDQDYGQ-UHFFFAOYSA-N	379.703	4.502	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1	2190465903	VVNVBLAQYPPVTR-OAHLLOKOSA-N	397.226	4.887	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2283509291	HUIQRKMHSCSQLK-BFUOFWGJSA-N	397.226	4.796	70	10	GJIE	
C[C@H]1C[C@@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)CC[C@H]1C	113962167	UDPUUGDEGNBOOV-SCVCMEIPSA-N	381.719	4.580	70	10	GJIE	
CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(CCC(F)(F)F)cc1	160259670	WCKFJJFUIPILOL-UHFFFAOYSA-N	382.451	4.789	70	10	GJIE	
CC[C@H](NC(=O)C(C)(C)c1cccc(Br)c1)c1c(C)noc1C	160354230	SWYZZFKEOWZEFO-HNNXBMFYSA-N	379.298	4.599	70	10	GJIE	
O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCO[C@@H](c2cccs2)C1	161238683	NRPAOOGRRFEWBC-OAHLLOKOSA-N	390.917	4.739	70	10	GJIE	
CCN(Cc1ccccc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21)C(C)=O	159439796	MBRSKXJRXVWHMP-KSFYIVLOSA-N	379.504	4.815	70	10	GJIE	
Cc1cc(O[C@@H](c2cccc(Br)c2)[C@H](C)N)ccc1Br	161485080	UIMUGTOMKFCVMF-MEDUHNTESA-N	399.126	4.987	70	10	GJIE	
C[C@H]1CCC[C@H](COc2ccc(S(=O)(=O)Cl)cc2Br)C1	302628691	SDBBVCOMCUGXNP-QWRGUYRKSA-N	381.719	4.582	70	10	GJIE	
CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1	217538891	QUPUFJKVUMHQTF-UHFFFAOYSA-N	378.472	4.678	70	10	GJIE	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2ccc(F)cc2)cc1	218130882	HTFLWZFHKWTJQX-INIZCTEOSA-N	395.503	4.596	70	10	GJIE	
CCN(C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1	160951013	FKPVMSXOUGMKMQ-AAIMPIBUSA-N	396.531	4.578	70	10	GJIE	
CN[C@H](Cc1ccc(F)cc1Br)c1cc2c(s1)CCSC2	161339140	PVLDITCRMMXLBR-CQSZACIVSA-N	386.355	4.942	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)Nc1ccc(Br)o1	217279968	GFXBBPBVPSBNOP-UHFFFAOYSA-N	381.226	4.643	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCCC[C@H]1C	704998871	BALHRVKWKUQGSC-SKDRFNHKSA-N	381.719	4.643	70	10	GJIE	
O=C(c1cc(Cl)cc(Br)c1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194123690	KXIKGBDTHPNPQU-TVQRCGJNSA-N	381.408	4.556	70	10	GJIE	
N[C@H](Cc1ccc(F)cc1Br)c1cc(F)ccc1Br	161411963	MENWKOUAFWXKKG-CQSZACIVSA-N	391.053	4.732	70	10	GJIE	
Cc1cccc(C)c1COc1ccc(S(=O)(=O)Cl)cc1Br	214282779	AJTNLDGMFLSKAI-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](N)c1cc(Br)ccc1Br	159862433	QJSHVPAZGFYXKM-MRXNPFEDSA-N	399.126	4.967	70	10	GJIE	
Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)n[nH]1	160395167	ZLRUKPVGBXZCNC-WBVHZDCISA-N	378.476	4.611	70	10	GJIE	
Nc1noc(-c2cc(Br)ccc2Br)c1-c1ccncc1	161314675	GQTCYXFKSHLGSJ-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
COc1cc(C)ccc1O[C@H](C)C(=O)Nc1ccccc1-c1csc(C)n1	218584996	DQDXTMRDDHLPKV-CQSZACIVSA-N	382.485	4.842	70	10	GJIE	
C[C@H]1C[C@H](C)CC[C@H]1Oc1ccc(S(=O)(=O)Cl)cc1Br	2152486252	JTVKYRXDRUWKJF-GBIKHYSHSA-N	381.719	4.580	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCC[C@@H]1C[C@@H]1C	2182720448	UZHLPUQQMVYNGA-GXSJLCMTSA-N	381.719	4.500	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCC1CCCCC1	2191421362	IBIHVVYDHBPILE-UHFFFAOYSA-N	385.682	4.720	70	10	GJIE	
CC[C@@H](NC(=O)C[C@@H](C)c1ccc(Br)cc1)c1c(C)noc1C	160425070	NSFBYMYYMGRHAL-BDJLRTHQSA-N	379.298	4.815	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160803193	HCLRSDOFFWSTKK-HOTGVXAUSA-N	382.895	4.512	70	10	GJIE	
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1C	218647157	BJLGPLIRRWXGEK-UHFFFAOYSA-N	397.525	4.789	70	10	GJIE	
O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(S(=O)(=O)Cl)c1	1858161119	GDNXXPUKZXREIF-UHFFFAOYSA-N	398.189	4.539	70	10	GJIE	
F[B-](F)(F)c1cnc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1	2115996388	NMHPGLINFIMCCW-UHFFFAOYSA-N	385.783	4.998	70	10	GJIE	
Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)c(C)c1	217289388	MRDFJVOQBUJEQA-LJQANCHMSA-N	375.509	4.709	70	10	GJIE	
CCCCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	218755065	BHFCTYSQLPIAFZ-UHFFFAOYSA-N	381.520	4.652	70	10	GJIE	
CC(=CBr)COc1cc(C(C)C)c(S(=O)(=O)Cl)cc1C	2234893531	PAYCGUWXHQAPSP-UHFFFAOYSA-N	381.719	4.723	70	10	GJIE	
COc1ccccc1[C@@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)c1ccco1	160528144	PNFJQBXEKZVDCG-DENIHFKCSA-N	393.487	4.653	70	10	GJIE	
CN[C@H](c1ccc(C)cc1Br)c1cc(Br)ccc1OC	161011840	VAVNYSFDAGAUJA-MRXNPFEDSA-N	399.126	4.837	70	10	GJIE	
Cc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)n(-c2ccc(F)cc2)n1	217372115	FBFRZVDLIWILIA-UHFFFAOYSA-N	386.430	4.943	70	10	GJIE	
O=C(N/C=C/c1ccccc1Cl)NCCc1ccc(Br)cc1	217831421	UUQYMULQOQWYGU-ZRDIBKRKSA-N	379.685	4.615	70	10	GJIE	
C[C@H](Oc1ccc(S(=O)(=O)Cl)cc1Br)C1CCCCC1	719705026	XRJKCKIPLXHZGD-JTQLQIEISA-N	381.719	4.724	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1F	2342481082	RBJTWZKRBGWVBC-QGZVFWFLSA-N	389.178	4.626	70	10	GJIE	
CC(C)c1ccc(/C=C/CC(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1	160781013	HTCIJKRUFGKFRV-HWKANZROSA-N	378.394	4.576	70	10	GJIE	
Cc1cc(Cl)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O	217280454	MLPQZCMIKFHUFB-UHFFFAOYSA-N	385.851	4.687	70	10	GJIE	
C[C@H](NC(=O)[C@@H](C)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1	159833193	LSKNYEGSMJFLSB-JKSUJKDBSA-N	393.512	4.678	70	10	GJIE	
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(NC(=O)C(F)(F)F)cc1	216753478	PIEFSTVDTJXSKL-UHFFFAOYSA-N	380.410	4.732	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(N(C)C)cc2)cc(OCC)c1OCC	217274905	IVGVRUMXKXLTBH-UHFFFAOYSA-N	387.480	4.593	70	10	GJIE	
CCN(Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)C(C)=O	159440085	MBRSKXJRXVWHMP-OPAMFIHVSA-N	379.504	4.815	70	10	GJIE	
O=C(Nc1cccc(CN2CCCCC2=O)c1)N[C@H]1CCCc2cc(F)ccc21	160740468	CRFUMFJGUHVUKQ-NRFANRHFSA-N	395.478	4.537	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1cccc(Br)c1Cl	2101741011	CJZCXJLRFHZWRS-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
C[C@H]1CC[C@@H](COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191429103	VMLYGADGCSZVPL-DTWKUNHWSA-N	385.682	4.576	70	10	GJIE	
O=c1ccc2c([nH]1)CCC[C@H]2Nc1c(Cl)cc(Br)cc1Cl	160967981	LTGAEWULUWELFV-CYBMUJFWSA-N	388.092	4.934	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@@H](N[C@H](CC)c1nccs1)c1ccccc1	161097843	FRUUJMQHKWHHQH-XLIONFOSSA-N	395.528	4.963	70	10	GJIE	
C[C@@H]1CC[C@H](Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@H]1C	251913197	UDPUUGDEGNBOOV-FOGDFJRCSA-N	381.719	4.580	70	10	GJIE	
Cc1c(I)cc(C#C[Si](C)(C)C)cc1C[B-](F)(F)F	1887520838	HOGQXXVZTHJXIK-UHFFFAOYSA-N	395.067	4.758	70	10	GJIE	
C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Cl)cc1)C(C)(C)C	2095896002	ODYDLRQERNXWTK-OAHLLOKOSA-N	393.936	4.691	70	10	GJIE	
Cc1c(C(=O)Nc2cc(F)ccc2OC(F)F)cnn1-c1ccccc1Cl	159422579	URNQYDUGGCSJBC-UHFFFAOYSA-N	395.768	4.827	70	10	GJIE	
CC[C@@H](NC(=O)C[C@H](C)c1ccc(Br)cc1)c1c(C)noc1C	160425318	NSFBYMYYMGRHAL-MEDUHNTESA-N	379.298	4.815	70	10	GJIE	
CCN(C(=O)NCCCc1nc(C(C)C)no1)[C@H](C)c1cc2ccccc2o1	161194117	VCJIPWSRUANXRS-OAHLLOKOSA-N	384.480	4.665	70	10	GJIE	
C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)c1nc(C(C)(C)C)no1	159758182	BMBGJXHAVJMMAF-SNVBAGLBSA-N	377.901	4.669	70	10	GJIE	
Fc1ccc(Br)c(OCCNc2ccc(Br)cc2)c1	160597577	MPFVMUWFABWBMZ-UHFFFAOYSA-N	389.062	4.842	70	10	GJIE	
Cc1cc(NC(=O)NCCCOc2ccccc2C)ccc1Br	217300495	DMPLHAMLIOAPSM-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1Cl)c1ccccc1	1288363990	DPDYZAVHLYYQOI-SFHVURJKSA-N	395.883	4.826	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCCCCC1CC1	2235467071	XATNIFLGUHDCLY-UHFFFAOYSA-N	381.719	4.644	70	10	GJIE	
CC(C)COc1ccc([C@@H](C)NC(=O)CCCc2nc(C(C)(C)C)no2)cc1	159627775	KUQKVEVTFCSWDL-MRXNPFEDSA-N	387.524	4.602	70	10	GJIE	
Cc1cc(C)c(NC[C@H](O)c2cccc(Br)c2)c(Br)c1	159800459	LGOFTASIBGAAEW-HNNXBMFYSA-N	399.126	4.974	70	10	GJIE	
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2csc(-c3ccco3)n2)C1	161161742	YZGNQPAQYHTGFA-HZPDHXFCSA-N	394.418	4.730	70	10	GJIE	
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1	216755531	KBHFRUAPPVKGJV-CYBMUJFWSA-N	394.393	4.717	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)NCCCOc1c(C)cccc1C	217298156	IUWLEEYRLJZICV-UHFFFAOYSA-N	398.503	4.851	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCc1cccc(Br)c1	217314980	BJXBGUBWNVTFQX-CQSZACIVSA-N	391.309	4.717	70	10	GJIE	
O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CCc2ncncc2C1	218054261	YGEHGGPYKWYEOE-UHFFFAOYSA-N	384.266	4.649	70	10	GJIE	
CCN[C@@H](CSc1cccc(Br)c1)c1c(Cl)cnn1CC	160784516	DHOYWIMYCSPLHP-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
Cc1nc2cc(NC(=O)NCc3cccc(COCC(F)(F)F)c3)ccc2o1	161102989	CHSJLCRTGHRNEW-UHFFFAOYSA-N	393.365	4.537	70	10	GJIE	
O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCO[C@H](c2cccs2)C1	161471056	GNTRJYUZWXNOER-OAGGEKHMSA-N	382.312	4.759	70	10	GJIE	
Cc1cc(OCCC=CBr)c(C(C)C)cc1S(=O)(=O)Cl	2170708746	RWBGEVULYYVQCW-UHFFFAOYSA-N	381.719	4.723	70	10	GJIE	
Cc1ccc2cccc(S(=O)(=O)N3CCCC[C@@H](c4ccccc4)C3)c2n1	217288374	UEKHIBWKALCNRM-HXUWFJFHSA-N	380.513	4.502	70	10	GJIE	
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1c2ccccc2CCC1(C)C	160290011	WNUBUYBADQOVHE-HXUWFJFHSA-N	379.504	4.532	70	10	GJIE	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	160640527	HCMMBKIYOSRGDF-RDTXWAMCSA-N	383.492	4.531	70	10	GJIE	
COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1	161064507	FTFKGRRQJBZAOT-CRAIPNDOSA-N	384.476	4.735	70	10	GJIE	
CCCCc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1	217279053	FGVSCRNJPVQMLX-UHFFFAOYSA-N	379.460	4.678	70	10	GJIE	
COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Oc2ccccc2C(C)C)cc1OC	217291941	YZHJZQUMISBKSN-HZPDHXFCSA-N	386.492	4.612	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H]1C[C@H]2CC[C@H]1C2	250967050	ZPIVWVANTYGZQB-SDDRHHMPSA-N	393.730	4.500	70	10	GJIE	
Cc1cc(F)c([C@H](N)c2cc(Br)ccc2Br)cc1F	159884940	OMNHACABPSSJPO-CQSZACIVSA-N	391.053	4.846	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	160012017	VSMNCELOYNYORX-LAUBAEHRSA-N	394.515	4.801	70	10	GJIE	
Brc1ccc2ncnc(N[C@@H]3CCO[C@H](c4ccccc4)C3)c2c1	160542925	RWCULDNCUXSMHV-QAPCUYQASA-N	384.277	4.725	70	10	GJIE	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F	160900414	WTIIFMVDUMRDFV-CYBMUJFWSA-N	395.425	4.572	70	10	GJIE	
CC(C)(C)c1noc(CCC(=O)N2CCCC[C@@H]2CCCc2ccccc2)n1	161341682	NXRVIEHDQYJFBL-LJQANCHMSA-N	383.536	4.704	70	10	GJIE	
CC(C)C(COc1ccc(Br)cc1S(=O)(=O)Cl)C(C)C	2189279437	OSKLXTOYODCBOA-UHFFFAOYSA-N	383.735	4.684	70	10	GJIE	
O=C(NCc1cccc(-c2ccccn2)c1)N(Cc1ccc(O)cc1)CC1CC1	160193889	KWWUZYXNTWZKJR-UHFFFAOYSA-N	387.483	4.576	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCc2ccc(Br)cc2)cc1	217315513	YFNRRAMZUGOYDR-UHFFFAOYSA-N	376.298	4.617	70	10	GJIE	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cccc(S(=O)(=O)F)c1	1529492412	PMTHTALIHBGFMJ-CSKARUKUSA-N	388.247	4.694	70	10	GJIE	
CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC([B-](F)(F)F)CC1	2231060734	YSZLCVSOHZALAB-AWEZNQCLSA-N	393.279	4.548	70	10	GJIE	
F[B-](F)(F)c1ccc2nc(N(Cc3ccccc3)C[C@@H]3CCCO3)sc2c1	2279021174	VGQBJRWDPCCZFG-INIZCTEOSA-N	391.247	4.536	70	10	GJIE	
Cc1ccc([C@H](N)Cc2cc(Br)ccc2F)c(Br)c1	160387077	BRZPPGSZCBWXQO-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3sc4ccc(F)cc4c3C)cc2)n1	161152668	RRZWAFLCDJOHSJ-UHFFFAOYSA-N	393.443	4.660	70	10	GJIE	
CC(C)c1ccc(OCC(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1	217286330	PIJBUZKOLLCEPN-UHFFFAOYSA-N	383.473	4.816	70	10	GJIE	
O=C(NCc1ccn(C2CCCC2)n1)Nc1cccc(Oc2ccccn2)c1	160208264	NAUUYPNZXJUFBJ-UHFFFAOYSA-N	377.448	4.507	70	10	GJIE	
CC(C)c1noc(CCCN[C@@H]2CCSc3ccc(Br)cc32)n1	160803401	QYGHQTAQEYANHU-CQSZACIVSA-N	396.354	4.715	70	10	GJIE	
NC[C@H](c1c(Cl)cccc1Cl)[C@H](O)c1c(F)cccc1Br	161328177	ANQIRBCVVYSZPP-GLEZIHRCSA-N	393.083	4.671	70	10	GJIE	
Cc1cc(Cl)ccc1NC(=O)Nc1ccccc1I	217272924	LDMLRKCDIGEZEW-UHFFFAOYSA-N	386.620	4.897	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc(I)cc2C)cc1C	217310723	QEJXCRXVOFNTDA-UHFFFAOYSA-N	380.229	4.860	70	10	GJIE	
Cc1ccc([C@@H](C)NCc2cc(Br)c(O)c(Br)c2)o1	218419757	NJBHUVCMMBSDIB-SECBINFHSA-N	389.087	4.669	70	10	GJIE	
C[C@@H](c1c(Cl)ccc(Cl)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952644383	HGIOHZGPAPVHAF-ZETCQYMHSA-N	388.700	4.970	70	10	GJIE	
Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2283509293	HUIQRKMHSCSQLK-ORAYPTAESA-N	397.226	4.796	70	10	GJIE	
CCN(CCc1nccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	160899845	OKTOFYKOKQOSEK-UHFFFAOYSA-N	377.819	4.912	70	10	GJIE	
O=C(CCSCCOc1ccc(F)cc1)Nc1ccccc1C(F)(F)F	161024550	PBKXPHRLLNTYSD-UHFFFAOYSA-N	387.398	4.985	70	10	GJIE	
C[C@@H]1CCC[C@H](COc2ccc(Br)cc2S(=O)(=O)Cl)C1	383734729	JCGRUTNWZSVCKX-MNOVXSKESA-N	381.719	4.582	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C(C)(C)CS(=O)(=O)Cl	1952631949	SJMFRMKKYQNWDN-UHFFFAOYSA-N	382.309	4.533	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2190462046	HAUKKKDGVTWXHQ-HNNXBMFYSA-N	399.242	4.806	70	10	GJIE	
C[C@H]1C[C@H]1CCCCOc1ccc(Br)cc1S(=O)(=O)Cl	2280430752	DXIFJDXMIYPKNN-WDEREUQCSA-N	381.719	4.582	70	10	GJIE	
Cc1ccc(Oc2ccc(NC(=O)CCc3cc4ccccc4[nH]c3=O)cn2)cc1	160786137	HYVIAZHUWKYUJF-UHFFFAOYSA-N	399.450	4.595	70	10	GJIE	
CNCc1oc2c(Br)cc(OC)c(Br)c2c1C1CC1	161499163	APMKXRUWYIIWBD-UHFFFAOYSA-N	389.087	4.563	70	10	GJIE	
Cc1cc(OCCCCCCS(=O)(=O)Cl)cc(C)c1Br	235759825	TYKAOVPRHHYJRS-UHFFFAOYSA-N	383.735	4.574	70	10	GJIE	
F[B-](F)(F)c1cnc2c(N(Cc3ccccc3)CC3CCCC3)ccnc2c1	2172772885	TZXWJORUYUTEKB-UHFFFAOYSA-N	384.234	4.881	70	10	GJIE	
CC1(C)CC(COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191426927	VWNSOQGTZAESOU-UHFFFAOYSA-N	385.682	4.576	70	10	GJIE	
CCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2Br)cc1	217266355	GLPWJRYXVCYCHL-UHFFFAOYSA-N	379.210	4.628	70	10	GJIE	
Cc1ncc([B-](F)(F)F)c(N(Cc2ccccc2)[C@H](C)c2cccs2)n1	2052601118	GDVWDDNESNUCJB-CYBMUJFWSA-N	376.236	4.669	70	10	GJIE	
COc1ccc([C@H](C)N(C)C(=O)NCc2cccc(-c3ccccn3)c2)cc1	160362507	FDIGJDCTSRRNOQ-KRWDZBQOSA-N	375.472	4.660	70	10	GJIE	
Cc1ncc(CS(=O)(=O)Cc2cnc(-c3ccc(C(C)C)cc3)s2)s1	160427084	IFCIBMOPVPILKM-UHFFFAOYSA-N	392.571	4.813	70	10	GJIE	
CCOc1ccc(NC(=O)Nc2ccc(I)cc2C)cc1	217281531	QEQWYYQUKHOSSM-UHFFFAOYSA-N	396.228	4.642	70	10	GJIE	
CC(C)(C)CCCOc1cc(F)c(S(=O)(=O)Cl)cc1Br	302256348	DBSQZYCPOCFERO-UHFFFAOYSA-N	387.698	4.721	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1F	2342483546	USBDABCAZFCOJQ-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(Br)c(F)cc2Cl)C1	2368344056	VWPCRBPCWDITJX-GFCCVEGCSA-N	387.387	4.695	70	10	GJIE	
CCCN[C@H](c1ccc(Br)s1)c1c(Cl)cnn1CCC	159872966	LCOIBSKOXNOXFQ-CYBMUJFWSA-N	376.751	4.860	70	10	GJIE	
COc1ccc([C@@H](C)NC(=O)N[C@H](C)Oc2ccc(C(C)C)cc2)cc1OC	217296000	VXDPQMJOOLLJFQ-CVEARBPZSA-N	386.492	4.612	70	10	GJIE	
O=C(Nc1ccc(I)cc1Cl)[C@H]1C[C@@H]1c1ccccc1	218740614	SNWUWNWHPZWAAB-OLZOCXBDSA-N	397.643	4.687	70	10	GJIE	
O=S(=O)(Cl)c1ccc(O[C@@H]2C=CCCCCC2)c(Br)c1	383517793	GZRYPTXXFKCKLY-LLVKDONJSA-N	379.703	4.644	70	10	GJIE	
O=S(=O)(F)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1883108359	HSZQHFVJWMVFAU-UHFFFAOYSA-N	386.444	4.644	70	10	GJIE	
CC(C)Sc1ccccc1NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F	161027315	MOCGRKXWJSVMJK-UHFFFAOYSA-N	386.443	4.603	70	10	GJIE	
CCOc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(OCC)c1OCC	217275315	IDTFGMADBCGOAM-UHFFFAOYSA-N	379.844	4.575	70	10	GJIE	
O=C(NCCc1ccc(Br)cc1)Nc1cccc2c(O)cccc12	217538820	YCLUZDMRELCHSC-UHFFFAOYSA-N	385.261	4.672	70	10	GJIE	
C[C@@H](N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccc(I)cc1	218207899	YDEHYPVQMSIACN-HHQUHPMLSA-N	381.301	4.767	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)CC(C)C	2197483553	ZZQQZNDNCDBSCY-SNVBAGLBSA-N	383.735	4.752	70	10	GJIE	
CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC([B-](F)(F)F)CC1	2231060735	YSZLCVSOHZALAB-CQSZACIVSA-N	393.279	4.548	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1	2342482549	NKMNVGOEHAJQBK-KRWDZBQOSA-N	389.178	4.626	70	10	GJIE	
CCCN[C@H](CSc1ccc(Cl)cc1)c1c(Br)cnn1C	160769398	ZNIOOESJZORFIM-CQSZACIVSA-N	388.762	4.669	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	160824161	VBENDHORPCJVIB-QFIPXVFZSA-N	380.875	4.500	70	10	GJIE	
C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCCc1cccc(F)c1	159758885	FHRWRYCNDPIJMN-CQSZACIVSA-N	382.401	4.784	70	10	GJIE	
CC[C@@H](NC(=O)Cc1c(Cl)cccc1OC)c1nc(C(F)(F)F)cs1	160461440	JEIOEHHFFZQUMO-LLVKDONJSA-N	392.830	4.634	70	10	GJIE	
O=C(c1cc(Br)ccc1Br)[C@@H]1CCOc2ccccc21	160763414	FUOJYYNQACPSAW-GFCCVEGCSA-N	396.078	4.961	70	10	GJIE	
CCN[C@H](Cc1ncccc1C)c1cc(Br)ccc1Br	160813681	RPKAROCUBLAREB-MRXNPFEDSA-N	398.142	4.808	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(C(C)(C)S(=O)(=O)Cl)ccc(Cl)c1F	1952737641	OEPMJQPAOANAJY-UHFFFAOYSA-N	386.272	4.630	70	10	GJIE	
COCCCCN(Cc1ccccc1)c1ccnc2ccc([B-](F)(F)F)cc12	2285388771	IVVIQWYLNUHVNK-UHFFFAOYSA-N	387.234	4.722	70	10	GJIE	
CCN[C@H](Cc1ccc(F)cc1Br)c1ccc(Br)o1	161404417	DNWRIVNVUHVGMW-GFCCVEGCSA-N	391.078	4.837	70	10	GJIE	
Cc1cccc(C)c1OCCCC(=O)Nc1ccccc1NC(=O)C(F)(F)F	216778859	RBEQNWJEHMIWAX-UHFFFAOYSA-N	394.393	4.602	70	10	GJIE	
CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1	160627694	YOCMRGHQYLHHTD-OAHLLOKOSA-N	385.817	4.595	70	10	GJIE	
CCCCc1ccc(NC(=O)N[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1	217283543	UNLCAHIQPNBBAQ-DYESRHJHSA-N	379.504	4.513	70	10	GJIE	
O=C(c1ccc(Cl)c(Br)c1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194131109	XLYDKSZOGIZFRQ-TVQRCGJNSA-N	381.408	4.556	70	10	GJIE	
O=S(=O)(Cl)c1c(C2CC2)nn(-c2ccc(Cl)c(Cl)c2)c1Cl	147481158	IJXSCNVXNXCWEC-UHFFFAOYSA-N	386.087	4.637	70	10	GJIE	
Cn1nccc1CNC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	160097253	SSUVGNGPHNGVOX-UHFFFAOYSA-N	390.365	4.553	70	10	GJIE	
Cc1ccc([C@@H](O)[C@H](CN)c2c(Cl)cccc2Cl)c(Br)c1	161499884	LSXMOVMGRCFYDQ-BDJLRTHQSA-N	389.120	4.840	70	10	GJIE	
Brc1cc(CN[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)oc1Br	217575914	KIKMFNPAISFYLS-QTSITOFLSA-N	389.131	4.719	70	10	GJIE	
O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc2noc(-c3ccccc3)c2c1	217836568	CAKNGPPWLLHUFP-OAQYLSRUSA-N	397.478	4.894	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]([B-](F)(F)F)C2)c(Cl)c1	2319672681	UZLWIWDLZKUJSB-JTQLQIEISA-N	391.606	4.751	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1	159446652	FJONGKUYZLLPPS-INIZCTEOSA-N	380.517	4.540	70	10	GJIE	
C[C@@H](Cc1cc2ccccc2cc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952728815	QBJUXMOQQDXNOC-LBPRGKRZSA-N	383.897	4.686	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C2(C(=O)N3CC[C@H]([B-](F)(F)F)C3)CC2)cc1	2368341922	BSHCFEWAWLLNEX-AWEZNQCLSA-N	397.226	4.515	70	10	GJIE	
O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	217281222	DSNUREAFYAHDHN-UHFFFAOYSA-N	397.862	4.913	70	10	GJIE	
CCCCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br	217298451	VVACHPZDTYCPJU-UHFFFAOYSA-N	385.346	4.615	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2237313650	QOLPKXMJXHZCBN-BFUOFWGJSA-N	397.226	4.796	70	10	GJIE	
CC[C@H](NC(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1)c1nccs1	159877221	LKFZXONCARRITH-WMZOPIPTSA-N	386.565	4.557	70	10	GJIE	
CC(C)c1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c2cnn(C(C)C)c2n1	160396023	IZWSMVYOGADSNF-QGZVFWFLSA-N	398.551	4.747	70	10	GJIE	
COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)cc1C	218664204	OBGFGNQZJFNIRL-UHFFFAOYSA-N	388.514	4.545	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CC[C@H](C)[C@@H](C)C1	221040202	UMCUKICPHXMOLG-KWBADKCTSA-N	395.746	4.889	70	10	GJIE	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(=O)(=O)F)cc1	1584352466	FICLHBPSHGZOKG-KTKRTIGZSA-N	388.247	4.694	70	10	GJIE	
O=C(c1ccc(Br)c(Cl)c1)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194135145	RQPBDOVGUBPKQB-TVQRCGJNSA-N	381.408	4.556	70	10	GJIE	
CC[C@H](C)OC(=O)c1c(Cl)c(Cl)cc(S(=O)(=O)Cl)c1Cl	115808081	IUTHCIVQIUTNEJ-YFKPBYRVSA-N	380.076	4.530	70	10	GJIE	
Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1cccc(-c3ccccn3)c1)CCC2	160237238	QAMISRCTBVTFIR-FQEVSTJZSA-N	392.528	4.733	70	10	GJIE	
COc1cc(C)c(Br)cc1[C@H](N)c1cc(C)ccc1Br	161467240	XHVHEMCQLASCTJ-MRXNPFEDSA-N	399.126	4.885	70	10	GJIE	
C/C1=C\CCCCc2cc(OS(=O)(=O)C(F)(F)F)ccc2OCCC1	203766008	VKZOYGFXOITYRZ-AWNIVKPZSA-N	378.412	4.747	70	10	GJIE	
C/C(=C/Cl)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	385491297	LAZSMYALLZCKHV-XQRVVYSFSA-N	394.501	4.551	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1C(F)(F)F	2055422598	IUVCAUOUEYWAEW-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
C[C@H]1Cc2cc([C@@H](N)c3cc(Br)ccc3Br)ccc2O1	159813050	PMSLSRLMGQTEAY-XXFAHNHDSA-N	397.110	4.583	70	10	GJIE	
COc1c(C)cc([C@H](N)c2cc(Br)ccc2Br)cc1C	159902802	YGJPUSMQJXKJCW-HNNXBMFYSA-N	399.126	4.885	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2C)o1	161461556	CCUIGPKFFJKASV-LJQANCHMSA-N	397.475	4.866	70	10	GJIE	
CCCc1ccc(S(=O)(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1	217289564	WHGIASYEZLYPEU-IBGZPJMESA-N	375.509	4.737	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCCC2=CCCCC2)c(Br)c1	385037458	MPIZSJUXAJZPIC-UHFFFAOYSA-N	379.703	4.646	70	10	GJIE	
C[C@H](c1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)S(=O)(=O)Cl	1952628248	NHRUOYAOXRURFC-MRVPVSSYSA-N	387.807	4.682	70	10	GJIE	
O=S(=O)(Cl)c1c(C(F)(F)F)ccc(C(F)(F)F)c1OC(F)(F)F	2055422378	DHSOMLYBJUVJCY-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
F[B-](F)(F)c1cnc(Oc2cccc(Cl)c2Cl)c(Br)c1	2115994744	BHEXNGNFEHZTLA-UHFFFAOYSA-N	385.783	4.998	70	10	GJIE	
O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@@H](c2cccs2)C1	161386530	CABJPDAFULWYFD-MRXNPFEDSA-N	391.583	4.831	70	10	GJIE	
CCCCOC(=O)c1ccccc1NC(=O)Nc1ccc2nc(C)c(C)nc2c1	217302002	PQUVWDXTFSRPEM-UHFFFAOYSA-N	392.459	4.848	70	10	GJIE	
O=C(N/C=C/c1cccc(Br)c1)NCCc1ccc(Cl)cc1	218092463	FJOUKLMFJILQCW-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
O=S(=O)(Cl)CC1(COCCCOCc2ccccc2)CCCCCC1	2056771758	HXCCTJSOBZLXEX-UHFFFAOYSA-N	388.957	4.519	70	10	GJIE	
CC(C)COc1ccc([C@@H](C)NC(=O)Cc2csc(-c3cccnc3)n2)cc1	159851484	RVTSGGBDFKBTLX-MRXNPFEDSA-N	395.528	4.660	70	10	GJIE	
CN[C@@H](c1ccc(OC)c(Br)c1)c1ccc(C)cc1Br	161011567	SOZKCHLNLWHMTG-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
O=S(=O)(c1ccc2ccccc2c1)N1CCCC[C@@H](c2ccc(F)cc2)C1	217289408	CNZUTEPYLGRMCT-HXUWFJFHSA-N	383.488	4.937	70	10	GJIE	
Cc1nc(-c2cccc(OCCc3ccccc3)c2)sc1S(=O)(=O)Cl	103876417	NIOOWQCLXWJXLX-UHFFFAOYSA-N	393.917	4.668	70	10	GJIE	
Cc1cc(Br)ccc1Oc1ccc(S(=O)(=O)Cl)c(C)c1	109150210	ORARRSRPFACNNQ-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
N[C@H](Cc1cc(Br)ccc1F)c1cccc(F)c1Br	160390360	XTVVZZQKSWKVTB-CYBMUJFWSA-N	391.053	4.732	70	10	GJIE	
NN[C@H](c1cc(Br)c(Br)s1)C1CCCCCC1	160531846	PNXYRQRHFVPQBZ-NSHDSACASA-N	382.165	4.748	70	10	GJIE	
Nc1onc(-c2cc(Br)ccc2Br)c1-c1cccnc1	160788433	MHXIAPHVBOKEIE-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161003855	GXIDJFZLFPNQCB-BBRMVZONSA-N	386.829	4.788	70	10	GJIE	
CCCOc1ccc(Cl)cc1NC(=O)CCc1cc2ccccc2[nH]c1=O	161140936	RIPKKWMBOAVCNK-UHFFFAOYSA-N	384.863	4.542	70	10	GJIE	
COc1ccc(NCc2ccc(Br)c(F)c2)cc1Br	161325828	CHDRQYYFEVYTLG-UHFFFAOYSA-N	389.062	4.971	70	10	GJIE	
CC[C@@H](NC(=O)NCCC(=O)c1ccc(C)cc1)c1ccc2c(c1)CCCC2	217281718	UIQIPMKYJGDNSH-JOCHJYFZSA-N	378.516	4.897	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1Oc1cc(Cl)cc(Br)c1	2102558947	OAWFQZBBLSVPOZ-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cc(Br)ccc2Cl)cc1	2166789439	TZFNHLFBDQDENO-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2)c(Cl)c1	104925697	VQOWFMUYSIBIBL-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CCCN[C@@H](CSc1ccccc1Cl)c1c(Br)cnn1C	160752791	XKZVWXJWWKJITA-ZDUSSCGKSA-N	388.762	4.669	70	10	GJIE	
CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccccc3C(C)(C)C)cc2C1=O	217279297	CBPNMEZEXQDGFN-UHFFFAOYSA-N	379.460	4.633	70	10	GJIE	
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CCCN1c1ccccc1	217818526	YOWHIGYADVTBQV-KRWDZBQOSA-N	395.890	4.702	70	10	GJIE	
Cc1cc(OCC=CBr)c(C(C)(C)C)cc1S(=O)(=O)Cl	1925460468	XPUYLZUIRYKARX-UHFFFAOYSA-N	381.719	4.507	70	10	GJIE	
Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(OCCC(C)C)cc2)o1	159617640	YZWCROQOHXFMJT-INIZCTEOSA-N	393.487	4.961	70	10	GJIE	
Cc1cc(F)ccc1C[C@H](O)c1cc(Br)ccc1Br	159886961	XNOPJOFSRCHISN-HNNXBMFYSA-N	388.074	4.935	70	10	GJIE	
CC[C@@H](NC(=O)N1CCO[C@H](c2ccsc2)C1)c1ccccc1OC(F)F	160371171	PSLCSEGOCUITKC-WBVHZDCISA-N	396.459	4.584	70	10	GJIE	
CCN[C@H](CSc1cccc(Br)c1)c1c(Cl)cnn1CC	160784634	DHOYWIMYCSPLHP-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)c1ccccc1	1461757182	WCRQOFANQKPHJX-MRXNPFEDSA-N	379.428	4.563	70	10	GJIE	
Cc1cc(S(=O)(=O)F)c(C(C)C)cc1OCCCOCc1ccccc1	1875872980	AHKKRIYUTFCPTD-UHFFFAOYSA-N	380.481	4.762	70	10	GJIE	
CCCOc1ccc([C@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1OCCC	159539895	SNGQXEOPVLOGFX-IRXDYDNUSA-N	377.525	4.504	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C	160807266	ZVHMCJNAKUYUOK-CYBMUJFWSA-N	380.941	4.999	70	10	GJIE	
CC(C)c1ccccc1O[C@@H](C)NC(=O)NCc1cccc(Br)c1	217292596	RXYGFRLRYSCJKR-AWEZNQCLSA-N	391.309	4.797	70	10	GJIE	
CN(c1ncc([B-](F)(F)F)c2ccsc12)[C@H]1CC[C@@H]1OCc1ccccc1	2116127389	QPLIYSAIZKYMMY-IRXDYDNUSA-N	391.247	4.535	70	10	GJIE	
CCOc1ccc(NC(=O)Nc2cc(OCC)c(OCC)c(OCC)c2)cc1	217274558	GSYPNAWLTQZDLK-UHFFFAOYSA-N	388.464	4.925	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC([B-](F)(F)F)CC1	2239516321	SYHSLVPPKRBAMQ-UHFFFAOYSA-N	399.242	4.806	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2342479239	FDUVVWLVIRRJOM-GOSISDBHSA-N	385.215	4.796	70	10	GJIE	
C[C@@H](CC1CCC1)Oc1c(Cl)cc(Br)cc1S(=O)(=O)F	2360319667	ZWAMVRIWYZGZTA-QMMMGPOBSA-N	385.682	4.718	70	10	GJIE	
C[C@H](CC(=O)N1CC[C@@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2368347736	GCSCPPLSHYQUGM-UKRRQHHQSA-N	399.242	4.977	70	10	GJIE	
CCOc1ccc(Br)cc1[C@@H](N)c1ccc(C)cc1Br	161011072	KQFAXFYTFJABFW-INIZCTEOSA-N	399.126	4.967	70	10	GJIE	
Cc1cc(NC(=O)NCCCOc2c(C)cccc2C)ccc1Br	217298333	VSFZCIDLUAMOAS-UHFFFAOYSA-N	391.309	4.965	70	10	GJIE	
O=C(c1cc(Br)c(Cl)s1)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	1879742320	CMDFIYYYYSAIIF-KSBSHMNSSA-N	387.437	4.618	70	10	GJIE	
CC1(C)CC[C@H]1COc1c(Cl)cc(Br)cc1S(=O)(=O)F	2281088391	ORCQULPOORCYCA-QMMMGPOBSA-N	385.682	4.576	70	10	GJIE	
CN(Cc1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1)C(=O)OC(C)(C)C	2368443278	XLBJQCDUFBUEHM-IBGZPJMESA-N	399.242	4.507	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Br	160442033	MUVKEKSGOHDVMO-UONOGXRCSA-N	391.309	4.526	70	10	GJIE	
O=S(=O)(Cl)CCCCCCOc1ccc(Cl)cc1Br	112356486	JVLYJISUZAPOCB-UHFFFAOYSA-N	390.126	4.610	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2	217298111	SKXKHEBHAUQXFJ-SHUWCMERSA-N	384.564	4.976	70	10	GJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[SiH2]O[C@H]1CC=C[C@@H]1COCc1ccccc1	888086117	FSJRVBPZCFYJRB-FUBOCBINSA-N	388.624	4.641	70	10	GJIE	
CC(C)=C(CN1CCCCN(Cc2ccccc2)CC(F)(F)C1)[B-](F)(F)F	2340324788	FLSCLFQEOSGBTD-UHFFFAOYSA-N	389.241	4.943	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCCC[C@@H]1C	704998863	BALHRVKWKUQGSC-CABZTGNLSA-N	381.719	4.643	70	10	GJIE	
Cc1nc2cc(NC(=O)N(Cc3ccccc3)CC3CCOCC3)ccc2o1	159421987	XGZYVXLUJIWBCP-UHFFFAOYSA-N	379.460	4.597	70	10	GJIE	
CC[C@@H](C)c1cc(S(=O)(=O)F)ccc1OCCCOCc1ccccc1	1875865851	XBQVRTWFIMFZQW-MRXNPFEDSA-N	380.481	4.844	70	10	GJIE	
C[C@]1([B-](F)(F)F)CCN(C(=O)CCCc2ccc(Br)s2)C1	2368424437	VONMHLITYSKUIP-ZDUSSCGKSA-N	383.062	4.673	70	10	GJIE	
CCCC(CCC)(COc1cccc(Br)c1)CS(=O)(=O)Cl	115567656	HVZFIRMSMOSJFA-UHFFFAOYSA-N	397.762	4.983	70	10	GJIE	
CC(C)COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccsc3)no2)cc1	159678182	SCLFGOOHNZLADD-OAHLLOKOSA-N	399.516	4.643	70	10	GJIE	
NC[C@H](c1ccc(Cl)cc1Cl)[C@@H](O)c1c(F)cccc1Br	161332390	VFCUVLSKOQPVAA-MEBBXXQBSA-N	393.083	4.671	70	10	GJIE	
Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(C)c1	217281214	YGUAZLFZSOYGJY-UHFFFAOYSA-N	391.471	4.876	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CC[C@@H](C)[C@@H](C)C1	221040074	UMCUKICPHXMOLG-NRUUGDAUSA-N	395.746	4.889	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1C=CCCCC1	2196213069	JAVPSGQSNRKZKI-GFCCVEGCSA-N	379.703	4.563	70	10	GJIE	
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)/C=C\c1ccco1	100474028	OKCXQYHUUSZDIP-HNENSFHCSA-N	396.426	4.658	70	10	GJIE	
CC(C)c1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1S(=O)(=O)Cl	147485321	XYDGSYAOBXFRAP-UHFFFAOYSA-N	388.103	4.883	70	10	GJIE	
O=C(N[C@@H](c1ccccc1)c1ccco1)N[C@@H]1CCO[C@H](c2ccccc2)C1	159518013	QACIKZLRUMIWEL-HJNYFJLDSA-N	376.456	4.589	70	10	GJIE	
CCN[C@H](C)c1nnc(-c2cc(C(F)(F)F)ccc2Br)s1	159900975	XFUIEUPCPCVAMS-SSDOTTSWSA-N	380.233	4.657	70	10	GJIE	
Cc1ccc(-c2noc([C@@H](C)N[C@@H](C)c3ccccc3-n3cccn3)n2)cc1F	160847377	AHZKHLVWVOHODR-JKSUJKDBSA-N	391.450	4.782	70	10	GJIE	
CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133913866	QNMZROXCCZZUTN-CABCVRRESA-N	393.279	4.548	70	10	GJIE	
C[C@H]1CCC[C@@H](Oc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191422341	SHYLYVLUJVLCJF-WCBMZHEXSA-N	385.682	4.718	70	10	GJIE	
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(OC)c(OC)c2OC)o1	159381126	JRMUKNXXYACTHI-INIZCTEOSA-N	388.464	4.627	70	10	GJIE	
O=C(Nc1ccccc1N1CCC(CO)CC1)c1ccc(-c2ccc(F)cc2)o1	160305723	FIJHZGCAIPVVMV-UHFFFAOYSA-N	394.446	4.547	70	10	GJIE	
Cc1nc(C)c([B-](F)(F)F)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1	2116132225	LVNRZRDIQLISPB-AWEZNQCLSA-N	390.263	4.977	70	10	GJIE	
CC[C@H](COc1ccc2cc(Br)ccc2c1)CS(=O)(=O)Cl	115561823	YMBWTARYYCBSKK-LLVKDONJSA-N	391.714	4.576	70	10	GJIE	
COCc1nc(-c2cc(Br)cs2)sc1CNC(C)(C)C	159385910	OOVUFCSYBUQKQI-UHFFFAOYSA-N	375.357	4.669	70	10	GJIE	
Nc1ccc2c(c1)CCC[C@@H]2Nc1ncc(Br)cc1Br	159515433	PTDAXKYYGZBKJP-AWEZNQCLSA-N	397.114	4.678	70	10	GJIE	
Fc1ccc(Oc2ccccc2CNCc2nnc3ccccn23)c(Cl)c1	159782897	WENMYSOIAVSFBS-UHFFFAOYSA-N	382.826	4.604	70	10	GJIE	
O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CC[C@]2(O)CCCC[C@H]2C1	160912018	OPKWDNYNXRGKSR-FDDCHVKYSA-N	398.478	4.564	70	10	GJIE	
CC[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1	161085981	GWPSSHYLJOYLLA-ZANVPECISA-N	391.846	4.883	70	10	GJIE	
CCN[C@H](Cc1ccc(CC)s1)c1cccc(I)c1	161208180	ZLCNPPORXCMCAL-MRXNPFEDSA-N	385.314	4.808	70	10	GJIE	
CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)Cc2ccccc2Cl)c1	159980963	FFTFUPJRYVLVKI-UHFFFAOYSA-N	379.287	4.703	70	10	GJIE	
C[C@H]1C[C@@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)CC[C@H]1C	160229931	FJBUICGNRSXANK-UTLUCORTSA-N	399.709	4.719	70	10	GJIE	
O=C(NCCc1cccc(Br)c1)NCC12CC3CC(CC(C3)C1)C2	217276548	KQOKGLDPKFSBSY-UHFFFAOYSA-N	391.353	4.507	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)Oc1ccc(Cl)cc1	217294725	AGRMXZZAPRJYIA-LSDHHAIUSA-N	376.884	4.832	70	10	GJIE	
O=C(c1cc(Br)ccc1Cl)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1	2194120488	KUFFFDCNKRPOGA-AMIZOPFISA-N	381.408	4.556	70	10	GJIE	
O=C(c1cccc(Br)c1Cl)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2194129916	MQNXULLCFGEBFS-SDBXPKJASA-N	381.408	4.556	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H]1CCC[C@H]1C	2197461508	MRHNMFUKJGECGG-SKDRFNHKSA-N	381.719	4.506	70	10	GJIE	
COc1ccccc1[C@H](CC(C)C)NC(=O)N(CCc1nccs1)C(C)C	159393886	SJWWNQYFZJKWOE-SFHVURJKSA-N	389.565	4.902	70	10	GJIE	
C[C@H](NCc1nc2cc(Br)ccc2[nH]1)c1ccc(OC(F)F)cc1	161449141	BDUJCCJKOSKFAL-JTQLQIEISA-N	396.235	4.778	70	10	GJIE	
C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1Br	160542138	RJTYKYBPOJONGR-LLVKDONJSA-N	397.110	4.573	70	10	GJIE	
O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1	161004254	GXIDJFZLFPNQCB-CZUORRHYSA-N	386.829	4.788	70	10	GJIE	
CCCN[C@H](C1=CCCCO1)c1cc(Br)ccc1Br	160279651	CEBOAVNFPRWXEY-HNNXBMFYSA-N	389.131	4.947	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1	2237313651	QOLPKXMJXHZCBN-DJJJIMSYSA-N	397.226	4.796	70	10	GJIE	
CCOc1ccc(NC(=O)N[C@@H](C)Oc2ccc(Cl)cc2)cc1OCC	217294903	NDYPYXRRPVARNJ-CYBMUJFWSA-N	378.856	4.684	70	10	GJIE	
CC(C)(C)OC(=O)N[C@H](c1ccccc1)C1(CS(=O)(=O)F)CCCCC1	757555741	PMUQUKYWBABEBJ-MRXNPFEDSA-N	385.501	4.502	70	10	GJIE	
O=S(=O)(Cl)c1ccccc1Oc1ccc(Br)c(Cl)c1	2102559022	PBXSGMPRNXPPIB-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CC[C@H]1C[C@@H]1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2236504348	VRBXPMRLVZRINV-IUCAKERBSA-N	385.682	4.576	70	10	GJIE	
C[C@H](NCc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(c1)CCC(=O)N2	161481855	SVZCHNIQDRXQAQ-LBPRGKRZSA-N	399.466	4.824	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H](C)[C@@H](C)CC	2197493544	FIZZWSQANNMEHQ-UWVGGRQHSA-N	383.735	4.752	70	10	GJIE	
O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCO[C@@H](c2cccs2)C1	161362284	GPSFESWRELHBIY-CYBMUJFWSA-N	381.284	4.750	70	10	GJIE	
CC1(C)CCC(Oc2ccc(S(=O)(=O)Cl)cc2Br)CC1	306065193	ACLRPJCJBOVNKZ-UHFFFAOYSA-N	381.719	4.724	70	10	GJIE	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NC2CCN(c3ccccc3)CC2)C1	160901701	XMUQIDGBFRMGBT-NZQKXSOJSA-N	386.580	4.927	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)N(CCc1nccs1)C(C)C	161097906	JPNLCIIUUWNIQJ-UHFFFAOYSA-N	382.327	4.699	70	10	GJIE	
COc1cc(NC(=O)N2CCCC[C@@H](c3ccccc3)C2)cc(OC)c1OC	217288134	QGDFZUXBVXILLC-QGZVFWFLSA-N	384.476	4.514	70	10	GJIE	
Cc1ccc2cccc(S(=O)(=O)N3CCCC[C@H](c4ccccc4)C3)c2n1	217288373	UEKHIBWKALCNRM-FQEVSTJZSA-N	380.513	4.502	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1	2194131543	BMDIXFKNHWSNON-LIRRHRJNSA-N	397.226	4.512	70	10	GJIE	
CC(=CBr)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl	2219373028	BCKDDHHUBDEPAY-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
CC[C@H]1C[C@H]1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2236504347	VRBXPMRLVZRINV-DTWKUNHWSA-N	385.682	4.576	70	10	GJIE	
Nc1ccc(C(=O)c2cc(C(F)(F)F)ccc2Br)c(Cl)c1	159888533	NMNPTGJBHBQWFW-UHFFFAOYSA-N	378.575	4.935	70	10	GJIE	
Nc1ccc(-c2noc(-c3cc(Br)ccc3Br)n2)cc1	160904606	LQDUAOQYVFAKTP-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
COc1ccc([C@H](C)NCc2ccc(Cn3ccccc3=O)cc2)c2ccccc12	161056138	JLYYNWOEJIBIER-IBGZPJMESA-N	398.506	4.909	70	10	GJIE	
Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(Cn2ccccc2=O)cc1	161072123	PHQFDTHIZZSEDL-MRXNPFEDSA-N	395.572	4.810	70	10	GJIE	
CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)c1	159994416	PARCDQHVFJEYMZ-IAGOWNOFSA-N	397.519	4.801	70	10	GJIE	
CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)s1	160418741	XMJAQBIOPKJSGR-FQEVSTJZSA-N	384.545	4.875	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccc(C(F)(F)F)cc1	217293199	JGKCONTXCDEQRN-UHFFFAOYSA-N	394.374	4.913	70	10	GJIE	
O=C1OC2(CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)c2ccccc21	217518824	GOLDXZJDZDECRM-UHFFFAOYSA-N	389.476	4.717	70	10	GJIE	
O=C(c1c(Cl)cccc1Br)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1	2194131596	BWKFZFQKPPUALB-ISVAXAHUSA-N	381.408	4.556	70	10	GJIE	
COc1cc(OC)c(Nc2ncc(Cl)cc2Br)cc1Cl	159710697	ZGHNWZPBDZAUMD-UHFFFAOYSA-N	378.053	4.912	70	10	GJIE	
O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCC1=CCCC1	160191891	KXHVAAFVKODJCL-UHFFFAOYSA-N	388.467	4.844	70	10	GJIE	
CCn1cnnc1-c1ccccc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1	160205270	WIKTYPHXVMZZFN-CRAIPNDOSA-N	379.464	4.563	70	10	GJIE	
CC(C)C1(COc2ccc(S(=O)(=O)Cl)cc2Br)CCC1	2191974879	UTJQOUIPCVLYMO-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
C[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(OC(F)(F)F)cc1	159903374	QFFKDDFLCMSILK-KGLIPLIRSA-N	376.382	4.578	70	10	GJIE	
CCS[C@H](C)c1noc(CN(C)C(=O)N[C@H](C)c2ccc(Cl)s2)n1	159944990	HOAWEYGQQPBVHT-NXEZZACHSA-N	388.946	4.501	70	10	GJIE	
CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1)CCC2	160629973	WMHGDMXEOVUZGD-BZNIZROVSA-N	379.476	4.764	70	10	GJIE	
Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccccc3-n3cccn3)o2)cc1C	160794481	KKBBRQPBJWMANG-ROUUACIJSA-N	387.487	4.951	70	10	GJIE	
Cc1cc(-c2noc([C@H](C)N[C@H](C)c3ccccc3-n3cccn3)n2)ccc1F	160862812	ZKFYNQSUNQWNNH-CVEARBPZSA-N	391.450	4.782	70	10	GJIE	
Cc1ccc(OCCCNC(=O)Nc2ccc(Br)cc2C)cc1	217297980	YWKUDBJCSMNTAM-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
CCc1cc(Br)ccc1Oc1ccc(S(=O)(=O)Cl)cc1	2197474384	QKVWXPOZEQJTLO-UHFFFAOYSA-N	375.671	4.731	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1	2342573343	SEJSDVHEAJFIRX-GOSISDBHSA-N	385.215	4.512	70	10	GJIE	
Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1	160666518	GPVLLOHTCURTNZ-HSZRJFAPSA-N	390.527	4.519	70	10	GJIE	
CCN[C@H](Cc1ccc(CC)s1)c1ccc(I)cc1	161134821	GBFWAVDOYBIGTR-MRXNPFEDSA-N	385.314	4.808	70	10	GJIE	
Cc1cc(Br)c(C)c(Oc2ccccc2S(=O)(=O)Cl)c1	2158780491	IBTFOEXUDPTEEU-UHFFFAOYSA-N	375.671	4.786	70	10	GJIE	
CCOc1ccc(CCNC(=O)N/C=C/c2cccc(Cl)c2)cc1OCC	218037708	UGZWTLSLQSGLOI-ZRDIBKRKSA-N	388.895	4.650	70	10	GJIE	
CC[C@@H](C)c1cc(S(=O)(=O)Cl)ccc1OCC/C=C/Br	2170705681	LIQHTXPLGIIWIH-SOZJPDODSA-N	381.719	4.805	70	10	GJIE	
F[B-](F)(F)c1cnc(SCC2(C(F)(F)F)CCC2)c(Br)c1	2290345338	ZAFFMQOQKGLLHM-UHFFFAOYSA-N	392.979	4.723	70	10	GJIE	
CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(OC)c(OC)c2OC)o1	159381268	JRMUKNXXYACTHI-MRXNPFEDSA-N	388.464	4.627	70	10	GJIE	
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ncc(-c3ccccc3)o2)C1	161052274	VDEYZSQZBWYKIY-ZWKOTPCHSA-N	388.389	4.668	70	10	GJIE	
C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161453790	DZJBSNWEXDGKMS-CQSZACIVSA-N	396.393	4.514	70	10	GJIE	
CN(Cc1cccc(Br)c1)c1cc(C(F)(F)F)nc(Cl)n1	161489172	WSGOWWDAQCQTQT-UHFFFAOYSA-N	380.595	4.548	70	10	GJIE	
O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(-c2ncon2)cc1	160511352	VGEHFEXFUVUGAS-UHFFFAOYSA-N	396.406	4.721	70	10	GJIE	
C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1S(=O)(=O)Cl)C(C)(C)C	2095896578	VEVXKOKRDMVJBE-OAHLLOKOSA-N	393.936	4.691	70	10	GJIE	
CCc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1	109526890	HGIKHUJLAUNHAP-UHFFFAOYSA-N	375.671	4.731	70	10	GJIE	
Cc1cccc([C@@H](NC(=O)c2cccc(CN3CCCC3)c2)c2ccccn2)c1	159982873	IOPNGODVRUVQHG-XMMPIXPASA-N	385.511	4.505	70	10	GJIE	
CC[C@@H](NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1)c1nccs1	160149225	DXXIXLCEMKVBJI-MJGOQNOKSA-N	380.517	4.581	70	10	GJIE	
C[C@H]1CC[C@@H](NC(=O)Nc2ccc(CN3CCCC3=O)cc2)c2ccccc21	160739079	HVNYXWCVZYSQSS-HRAATJIYSA-N	377.488	4.569	70	10	GJIE	
Cc1nc(-c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cs1	218663633	HJXFHEQYIVYXPR-UHFFFAOYSA-N	398.431	4.938	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133913160	ANTQTRPMGHWBDY-NSHDSACASA-N	389.178	4.626	70	10	GJIE	
C[C@H](c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952628875	RQUXUDRTZASDEM-MRVPVSSYSA-N	387.807	4.682	70	10	GJIE	
NC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1c(F)cccc1Br	161334538	FGPTVICZKMIFFN-BJOHPYRUSA-N	393.083	4.671	70	10	GJIE	
C/C=C/CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	2123146508	BXVZYCVAPHLVLL-NSCUHMNNSA-N	388.110	4.765	70	10	GJIE	
F[B-](F)(F)[C@H]1CCN(Cc2cc(Br)ccc2Br)C1	2303102083	QNPGOYLWBZHSIL-VIFPVBQESA-N	385.838	4.635	70	10	GJIE	
CCCN[C@@H](c1cc(Br)cs1)c1c(Cl)cnn1CCC	159896089	PPDPYJGNOZECFY-ZDUSSCGKSA-N	376.751	4.860	70	10	GJIE	
CCN(CC)c1ccc(NC(=O)NCCCOc2ccccc2Cl)cc1	217300115	XHXLYJOHFROKLO-UHFFFAOYSA-N	375.900	4.777	70	10	GJIE	
O=S(=O)(Cl)C[C@H](COc1cccc(OCc2ccccc2)c1)C1CCC1	2089764363	QMAZXSVCJNMOTJ-SFHVURJKSA-N	394.920	4.629	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H](C)C(C)C	2197462486	YSPSXTPIDYFFTQ-JTQLQIEISA-N	383.735	4.610	70	10	GJIE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1	2368352183	VIMTWXACUZANHJ-DJJJIMSYSA-N	399.242	4.726	70	10	GJIE	
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(N2CCC(C)CC2)c1	159732229	DNIAIMBKOWWXFM-OAQYLSRUSA-N	395.551	4.642	70	10	GJIE	
CCn1cc(C2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)cn1	160578461	JTNQLJLGROIIQO-UHFFFAOYSA-N	396.535	4.774	70	10	GJIE	
CC=CCCCOc1c(CC)cc(Br)cc1S(=O)(=O)Cl	2197462113	UBSNNTFIPSLZJE-UHFFFAOYSA-N	381.719	4.674	70	10	GJIE	
COc1ccc2c(CC(=O)N[C@@H](c3cccc(C)c3)c3ccccn3)coc2c1	159713193	VIECYEJUUNOQOR-DEOSSOPVSA-N	386.451	4.593	70	10	GJIE	
Cc1cccc([C@H](NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c2ccccn2)c1	159890804	MJCDABPCZKUQOR-JUXOCIIHSA-N	378.422	4.678	70	10	GJIE	
COc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(-c3ccccn3)c2)cc1	160362624	FDIGJDCTSRRNOQ-QGZVFWFLSA-N	375.472	4.660	70	10	GJIE	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[SiH2]O[C@@H]1CC=C[C@@H]1COCc1ccccc1	888086120	FSJRVBPZCFYJRB-OKKOYFSCSA-N	388.624	4.641	70	10	GJIE	
O=S(=O)(Cl)c1c(OC(F)(F)F)ccc(C(F)(F)F)c1C(F)(F)F	2055422351	BDKKZZSIURWENR-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C(C)C)cc1OCCC=CBr	2170702206	AEXAJLLATYGMRG-UHFFFAOYSA-N	381.719	4.723	70	10	GJIE	
C[C@H]1CC(Oc2ccc(Br)cc2S(=O)(=O)Cl)C[C@H](C)C1	113948756	GNULAJFGJTXTIS-NXEZZACHSA-N	381.719	4.580	70	10	GJIE	
CCOc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1Br	160442423	MUVKEKSGOHDVMO-KGLIPLIRSA-N	391.309	4.526	70	10	GJIE	
Cc1cc(N2CCCC2)ccc1NC(=O)NCCOCc1ccc(Cl)cc1	161154213	KGSMGUOIMZAPOU-UHFFFAOYSA-N	387.911	4.587	70	10	GJIE	
COc1ccc(Cl)cc1NC(=O)NCOc1ccc(Cl)cc1Cl	217296919	XOCYKPUZINZFNQ-UHFFFAOYSA-N	375.639	4.813	70	10	GJIE	
C[C@H](NC(=O)NCc1ccccc1Br)C12CC3CC(CC(C3)C1)C2	217314239	SBMXZCCUOXKWKX-IVKJLDKCSA-N	391.353	4.853	70	10	GJIE	
CCC[C@@H](CC)COc1cc(F)c(S(=O)(=O)Cl)cc1Br	2381649134	IRUPBEAABJCTCN-SECBINFHSA-N	387.698	4.721	70	10	GJIE	
COc1cccc(Oc2ccc(-c3nc(C)c(S(=O)(=O)Cl)s3)cc2)c1	103862787	UFSLWNXPIUSXCL-UHFFFAOYSA-N	395.889	4.847	70	10	GJIE	
CC(C)COC1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1	159474218	IPBQKOWMYMWZCS-UHFFFAOYSA-N	393.325	4.741	70	10	GJIE	
N[C@H](c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Br	159854333	QWIFVBBHYRYZCO-MRXNPFEDSA-N	397.110	4.585	70	10	GJIE	
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ncc(-c3cccs3)o2)C1	161118358	USRWLUOXBQRDGO-LSDHHAIUSA-N	394.418	4.730	70	10	GJIE	
COc1c(Cl)cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)cc1Cl	217079227	WELDEEGATRDNKP-DNVCBOLYSA-N	390.314	4.524	70	10	GJIE	
O=C(NCOc1ccc(Cl)cc1Cl)Nc1ccccc1Br	217297437	AOFXANBHFCQDTF-UHFFFAOYSA-N	390.064	4.914	70	10	GJIE	
Cc1nc(-c2ccccc2NS(=O)(=O)c2cccc(Cl)c2C)cs1	218665602	NTOVGEUIYIJDSL-UHFFFAOYSA-N	378.906	4.881	70	10	GJIE	
Cc1ncnc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c1[B-](F)(F)F	2052604858	VELMXTJUEQKFLM-AWEZNQCLSA-N	376.236	4.669	70	10	GJIE	
C[C@@H]1CC[C@@H](COc2c(Cl)cc(Br)cc2S(=O)(=O)F)C1	2191429105	VMLYGADGCSZVPL-RKDXNWHRSA-N	385.682	4.576	70	10	GJIE	
CCc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CC[C@@H](C)C1	2197493779	HZXHBFZWYCAWTK-BXKDBHETSA-N	381.719	4.506	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@H](CC(C)C)c1ccccc1OC	159394247	KIAIPZGOSAMJQQ-QGZVFWFLSA-N	375.538	4.513	70	10	GJIE	
CC(C)N(CCc1nccs1)C(=O)Nc1ccc(Br)cc1F	160798354	VOHUZAXEIYWXEW-UHFFFAOYSA-N	386.290	4.530	70	10	GJIE	
CC[C@H](NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1nccs1	160995976	OMLWFHDYWJMZTL-AWEZNQCLSA-N	395.410	4.620	70	10	GJIE	
CN[C@@H](Cc1ccc(Br)cc1)c1c(F)cccc1Br	161036361	XPLPMJLWYFANEF-AWEZNQCLSA-N	387.090	4.854	70	10	GJIE	
C[C@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@H](c2ccccc2)O1	161168960	YYMWTRCESYKWBZ-HNAYVOBHSA-N	377.406	4.784	70	10	GJIE	
CCCCc1ccc(NC(=O)N[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1	217283541	UNLCAHIQPNBBAQ-LAUBAEHRSA-N	379.504	4.513	70	10	GJIE	
Cc1noc(-c2sccc2NC(=O)C(c2ccccc2)c2ccccc2)n1	217285746	NKNKEXGNYKBMCV-UHFFFAOYSA-N	375.453	4.877	70	10	GJIE	
Cc1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1NC(=O)OC(C)(C)C	2231050856	YGAWMRKSPLWQHP-UHFFFAOYSA-N	385.215	4.796	70	10	GJIE	
Cc1nc(-c2ccccc2OCc2ccc(F)cc2)sc1S(=O)(=O)Cl	103835079	HPTJZRIMTNKPTD-UHFFFAOYSA-N	397.880	4.764	70	10	GJIE	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CCCc1ccc(Br)s1	160423766	OXHUHVYLLPAGDP-ZDUSSCGKSA-N	396.350	4.629	70	10	GJIE	
Cc1cc(C)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)C)C3=O)c(Cl)c1	217279341	VIEXSPFGDCDSTJ-UHFFFAOYSA-N	385.851	4.605	70	10	GJIE	
CCN(CCCOCc1ccccc1)c1ncc([B-](F)(F)F)c2ccsc12	2116127293	KSDARQOOTTVKGI-UHFFFAOYSA-N	393.263	4.784	70	10	GJIE	
CCN(CCc1nccs1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C	159823619	GJTICTGPOPTQTC-KRWDZBQOSA-N	381.492	4.783	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCCCCC(F)F	2238529150	VIAZKGYRXGRXRQ-UHFFFAOYSA-N	395.624	4.575	70	10	GJIE	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1	2368352184	VIMTWXACUZANHJ-ORAYPTAESA-N	399.242	4.726	70	10	GJIE	
CCc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1N	159574482	VWHPMONJGVXFFK-UHFFFAOYSA-N	398.098	4.609	70	10	GJIE	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCC2=CCCC2)cc1	160301558	WNXOKCMMPZPRHY-UHFFFAOYSA-N	394.540	4.956	70	10	GJIE	
O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCN1c1ccccc1	217824935	VGBIIARRCSXQKC-KRWDZBQOSA-N	377.315	4.711	70	10	GJIE	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	161045090	BDMPJRFXRSCKPT-HYVNUMGLSA-N	397.437	4.687	70	10	GJIE	
Cc1cc(Br)c(NCC2(CO)CCCCC2)c(Br)c1	161361550	VCXGNUBVKIQBLI-UHFFFAOYSA-N	391.147	4.875	70	10	GJIE	
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H](c2ccccc2)C1	217288468	XPBSISHZLXAPBW-MRXNPFEDSA-N	383.435	4.664	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)NCc1cccc2ccccc12	217293192	DBVVXJAPACDSDN-UHFFFAOYSA-N	390.464	4.725	70	10	GJIE	
O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)c2ccccc2)s1	217294807	BGKUJYVUYRJBRA-UHFFFAOYSA-N	387.863	4.631	70	10	GJIE	
CC(C)=C(CN1C[C@]23CCC[C@@]2(C1)CN(Cc1ccccc1)C3)[B-](F)(F)F	2340315753	SQPKHZONTVEYOU-OYRHEFFESA-N	377.283	4.698	70	10	GJIE	
Cc1cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2342481374	HWOKVIFTBVONKV-SFHVURJKSA-N	385.215	4.796	70	10	GJIE	
N[C@@H](Cc1cc(Br)ccc1F)c1cccc(F)c1Br	160390486	XTVVZZQKSWKVTB-ZDUSSCGKSA-N	391.053	4.732	70	10	GJIE	
CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C1	160553815	UWMVAUKOMJJZOD-HXUWFJFHSA-N	396.535	4.774	70	10	GJIE	
Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccccc3-n3cccn3)o2)cc1C	160794728	KKBBRQPBJWMANG-MSOLQXFVSA-N	387.487	4.951	70	10	GJIE	
Cc1cccc(N2CCN(C(=O)N[C@H](C)Oc3ccccc3C(C)C)CC2)c1C	217292413	AMNCZAXKVXEJFP-FQEVSTJZSA-N	395.547	4.683	70	10	GJIE	
CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc(Br)cc1Br	217774858	BGMQDVKIOLBTPT-NEPJUHHUSA-N	392.179	4.593	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H]1CCC[C@H]1C	2149832647	MLFIDQAMIHKTQO-KOLCDFICSA-N	381.719	4.500	70	10	GJIE	
CN[C@H](Cc1cc(F)ccc1Br)c1cc2c(s1)CCSC2	161510920	WXIWTAMFXBVNNR-CQSZACIVSA-N	386.355	4.942	70	10	GJIE	
CC(C)c1cc(Br)ccc1OCC(C)(C)CS(=O)(=O)Cl	163449394	WWCVGYCKDVMGHF-UHFFFAOYSA-N	383.735	4.546	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2194125881	DBTJAICQYMHLBS-AUUYWEPGSA-N	397.226	4.796	70	10	GJIE	
Cc1ccc(C)c(COc2ccc(S(=O)(=O)Cl)cc2Br)c1	105046603	DBYXZODHWNKMLY-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@@H]1CC[C@@H](C)[C@H](C)C1	113962223	UMCUKICPHXMOLG-GIPNMCIBSA-N	395.746	4.889	70	10	GJIE	
COc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(Br)c1	217315072	GWZDEPBKCHMBND-UHFFFAOYSA-N	383.673	4.741	70	10	GJIE	
O=C(N/C=C/c1ccc(Br)cc1)NCCc1ccc(Cl)cc1	218290558	BZIUSVUHQUTKGY-PKNBQFBNSA-N	379.685	4.615	70	10	GJIE	
Cn1cc(-c2ncc(C(=O)N3CCCC[C@H]3CCCc3ccccc3)s2)cn1	161349241	SZWJLJIGICIVOS-IBGZPJMESA-N	394.544	4.561	70	10	GJIE	
C[C@@H](c1cccc(C(F)(F)F)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl	1952631429	HUBKAAUJAKJOHQ-QMMMGPOBSA-N	387.807	4.682	70	10	GJIE	
O=S(=O)(F)c1cc(Br)cc(Cl)c1OCC1=CCCCC1	2281253500	YETJTYZQMONCRE-UHFFFAOYSA-N	383.666	4.640	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2368342193	FEAFTWWNROAELE-IBGZPJMESA-N	399.242	4.806	70	10	GJIE	
CCN(CCc1nccs1)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	159985940	VMYPKXRJDZTMBZ-SWLSCSKDSA-N	398.359	4.828	70	10	GJIE	
CC(C)C(=O)Nc1cccc(NC(=O)NCc2cccc(-c3ccccn3)c2)c1	160123210	QYYJYYYGFSCTJW-UHFFFAOYSA-N	388.471	4.665	70	10	GJIE	
CCCn1ncc(Cl)c1[C@H](CSc1cccc(Br)c1)NC	160782988	WRWVAQOWFILOEN-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
COCc1ccc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1	161346642	VCOKCRVRQHWSAI-UHFFFAOYSA-N	394.437	4.701	70	10	GJIE	
F[B-](F)(F)c1cnc(Sc2nc3ccccc3s2)c(Br)c1	2172771635	CMVQZGXWGKGYBY-UHFFFAOYSA-N	390.038	4.659	70	10	GJIE	
CN[C@H](Cc1ccc(OC(F)(F)F)cc1)c1sccc1Br	161448411	HLMVXUPDFUSCHX-GFCCVEGCSA-N	380.229	4.912	70	10	GJIE	
Cc1cc(O[C@@H](c2ccc(Br)cc2)[C@@H](C)N)ccc1Br	161485809	DMEMPNJWWFSGJW-BDJLRTHQSA-N	399.126	4.987	70	10	GJIE	
COc1ccc(/C=C/C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1OC	217288903	GPZVYPXTPHUWMW-HBAHQKBISA-N	383.463	4.652	70	10	GJIE	
O=[N+]([O-])c1ccc(/C=C/c2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	105318078	HHUCVMKZWXIUGX-SNAWJCMRSA-N	376.192	4.730	70	10	GJIE	
C[C@@H]1Cc2cc([C@@H](N)c3cc(Br)ccc3Br)ccc2O1	159812889	PMSLSRLMGQTEAY-JDNHERCYSA-N	397.110	4.583	70	10	GJIE	
CC[C@@H]1CCC[C@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1	160232379	DCZNWSUKXVUCIB-ZJUUUORDSA-N	399.709	4.863	70	10	GJIE	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160811493	QOBZDKFIJUCFNB-RBUKOAKNSA-N	390.531	4.982	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C=CS(=O)(=O)Cl)c(C(F)(F)F)c1	1952292981	MNWCYOHUUNWGDO-UHFFFAOYSA-N	385.791	4.592	70	10	GJIE	
CC(C)[C@@H](CCCC(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231060444	UQXPVFPGEZGDEG-OAHLLOKOSA-N	393.279	4.546	70	10	GJIE	
Cc1c(Cl)cccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1	160803290	HCLRSDOFFWSTKK-HZPDHXFCSA-N	382.895	4.512	70	10	GJIE	
CN[C@@H](c1ccc(OC)c(Br)c1)c1cc(C)ccc1Br	161434753	ZPNBAFRSDKACCH-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(N3CCOC3=O)ccc2C)o1	161456853	HFTCDEVTYOQRAQ-SFHVURJKSA-N	383.448	4.612	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)NCCCOc1ccccc1C	217300494	MBTYQLXAUDKATB-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
CCOc1ccc(OCNC(=O)NC(c2ccccc2)c2ccccc2)cc1	217307370	OHLQUQXXSPQIFQ-UHFFFAOYSA-N	376.456	4.510	70	10	GJIE	
Cc1cc(C)c(NC(=O)c2ccc(Br)cc2N)c(Br)c1	159707165	CPWZGQSJDALHPY-UHFFFAOYSA-N	398.098	4.663	70	10	GJIE	
CCc1nnc(-c2ccc(NC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)cc2)o1	161448118	BFDAHUJZBZXQQV-PBHICJAKSA-N	380.448	4.897	70	10	GJIE	
Cc1cccc(C)c1OCCCNC(=O)Nc1ccc(Br)cc1	217298049	QACIPZYIATXOCS-UHFFFAOYSA-N	377.282	4.657	70	10	GJIE	
Cc1cc(OCCCOCc2ccccc2)c(C(C)C)cc1S(=O)(=O)F	1875862879	GKAIHMXMZHKGEC-UHFFFAOYSA-N	380.481	4.762	70	10	GJIE	
C[C@H](CCC[C@@H](C)C(=O)N1CCC[C@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2133911737	CCLZHSKHBIYJDT-KFWWJZLASA-N	393.279	4.546	70	10	GJIE	
COc1cccc(C(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)c1O	161473978	BIDLFJODSISIOQ-AWEZNQCLSA-N	382.485	4.666	70	10	GJIE	
Nc1ccc(-c2noc(-c3ccc(Br)cc3Br)n2)cc1	218734626	NTCWRBVVTLTWSN-UHFFFAOYSA-N	395.054	4.511	70	10	GJIE	
CCCN[C@@H](c1ccc(Br)s1)c1c(Cl)cnn1CCC	159872832	LCOIBSKOXNOXFQ-ZDUSSCGKSA-N	376.751	4.860	70	10	GJIE	
CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C	160305831	NFFFYERREODSER-GOSISDBHSA-N	389.540	4.793	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC	161228515	MPTIQZNPZUKXMK-LPHOPBHVSA-N	385.504	4.673	70	10	GJIE	
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC[C@H](c2ccccc2)C1	217288470	XPBSISHZLXAPBW-INIZCTEOSA-N	383.435	4.664	70	10	GJIE	
CC[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1	161086353	GWPSSHYLJOYLLA-NOZJJQNGSA-N	391.846	4.883	70	10	GJIE	
Cc1nc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc(C2CC2)n1	159977316	SHQASEVNJBBFJO-UHFFFAOYSA-N	392.406	4.852	70	10	GJIE	
Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)n[nH]1	160395290	ZLRUKPVGBXZCNC-RDJZCZTQSA-N	378.476	4.611	70	10	GJIE	
CC(C)C[C@@H](COc1ccc(OCc2ccccc2)cc1)CS(=O)(=O)Cl	2353836463	ZSGWXDNOCLOEQH-SFHVURJKSA-N	396.936	4.875	70	10	GJIE	
CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nccs1	159929003	ULHPBFASYQBBSS-SNVBAGLBSA-N	385.725	4.533	70	10	GJIE	
CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)c1	159994518	PARCDQHVFJEYMZ-DLBZAZTESA-N	397.519	4.801	70	10	GJIE	
C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	160951640	NKMBBAGCLQWZIZ-MRVWCRGKSA-N	397.418	4.528	70	10	GJIE	
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H](C)Sc3ccccc3Cl)cc2)n1	161161286	KUFSYXVDRSOBRV-CYBMUJFWSA-N	399.903	4.518	70	10	GJIE	
O=C(Cc1cccc2ccccc12)NCc1ccc(C(=O)c2ccco2)s1	217292597	SCUMJWUZNOYDLQ-UHFFFAOYSA-N	375.449	4.584	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1	2133911940	DQRCJOXMYMJUSF-CQSZACIVSA-N	385.215	4.512	70	10	GJIE	
C[C@H]1C[C@H](Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)CC[C@H]1C	160230189	FJBUICGNRSXANK-KXUCPTDWSA-N	399.709	4.719	70	10	GJIE	
CC[C@H](CC(=O)NC1(c2noc(C(C)C)n2)CCCC1)c1ccc(OC)cc1	160512038	YUXQVTDKOGSDRN-MRXNPFEDSA-N	385.508	4.671	70	10	GJIE	
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ncc(-c3ccccc3)o2)C1	161052136	VDEYZSQZBWYKIY-QZTJIDSGSA-N	388.389	4.668	70	10	GJIE	
CCCNC(=O)c1ccc(NC(=O)c2[nH]c3ccc(C)cc3c2C)cc1Cl	161185508	REDXTOMSMQKRSX-UHFFFAOYSA-N	383.879	4.830	70	10	GJIE	
Nc1ccc(C(=O)c2cc(C(F)(F)F)ccc2Br)cc1Cl	159888074	ZWLJQYHDMBBVJM-UHFFFAOYSA-N	378.575	4.935	70	10	GJIE	
O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1	109526783	QAHZSUDXHXXVAF-UHFFFAOYSA-N	382.062	4.822	70	10	GJIE	
CCc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)C2)n1	160802425	SJHMLQIYCQLXKB-RLLQIKCJSA-N	399.560	4.515	70	10	GJIE	
CCOc1ccc(Br)cc1[C@@H](N)c1cc(C)ccc1Br	161434203	HYTUTGAHOFDCLL-INIZCTEOSA-N	399.126	4.967	70	10	GJIE	
COc1cc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl	217276446	MFVJADDGFYTGOZ-UHFFFAOYSA-N	378.900	4.695	70	10	GJIE	
O=C(CCc1c(Cl)cccc1Cl)NC[C@@H]1CCCN1c1ccccc1	217824751	IKRVWDRBNFFAHM-INIZCTEOSA-N	377.315	4.711	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133913159	ANTQTRPMGHWBDY-LLVKDONJSA-N	389.178	4.626	70	10	GJIE	
O=[N+]([O-])c1ccc(/C=C/c2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1	105318060	WTISAWHUCVRRRK-HNQUOIGGSA-N	376.192	4.730	70	10	GJIE	
Cc1cc(OCc2ccccc2Br)cc(C)c1S(=O)(=O)Cl	112360128	UDGCRAOTWZKQAN-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1Cl	161055730	CKCUGOXFEYPZCU-LBPRGKRZSA-N	390.871	4.501	70	10	GJIE	
Cc1c(OCc2ccccc2Br)ccc(S(=O)(=O)Cl)c1C	59147926	PUAHFKMMPXKJLR-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
COc1cccc(Cl)c1CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	160824270	VBENDHORPCJVIB-JOCHJYFZSA-N	380.875	4.500	70	10	GJIE	
Cc1ccc(N[C@H](C)c2ccc(I)cc2)cc1N(C)C	161195518	NUPOAENOTQAXDB-CYBMUJFWSA-N	380.273	4.839	70	10	GJIE	
CCCCc1noc([C@@H](C)Sc2nnc(-c3cccc(Cl)c3)n2C)n1	159762149	RPWNGZMRVRDPNN-LLVKDONJSA-N	377.901	4.714	70	10	GJIE	
N[C@@H](Cc1ccc(F)cc1Br)c1cc(F)ccc1Br	161411822	MENWKOUAFWXKKG-AWEZNQCLSA-N	391.053	4.732	70	10	GJIE	
Cc1cc(Oc2c(F)cccc2Br)ccc1S(=O)(=O)Cl	707048580	XPJYPLYNBIGERK-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
Cc1ccc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C	2194125883	DBTJAICQYMHLBS-KUHUBIRLSA-N	397.226	4.796	70	10	GJIE	
C[C@@H]1[C@@H](Oc2ccc(S(=O)(=O)Cl)cc2Br)CCC[C@H]1C	2201127854	FBKMNYVOKZIMGV-NRUUGDAUSA-N	381.719	4.580	70	10	GJIE	
CC(C)[C@@H](CCCC(=O)N1CC[C@@](C)([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2342484300	BDRMGSISSMTOLH-RDTXWAMCSA-N	393.279	4.546	70	10	GJIE	
O=C(CCc1ccc(-c2ccccc2F)o1)N1CCO[C@@H](c2cccs2)C1	161356568	CGQCFZPHTNJBPD-LJQANCHMSA-N	385.460	4.680	70	10	GJIE	
CC(C)(CCOc1ccc(Br)cc1S(=O)(=O)Cl)C1CC1	406087707	ATWFVIHHWMCSBB-UHFFFAOYSA-N	381.719	4.582	70	10	GJIE	
CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1	159652856	YGMZIIGOMVAEOA-ZDUSSCGKSA-N	382.382	4.957	70	10	GJIE	
CCOc1ccc(C)cc1[C@H](C)NC(=O)NCCCOc1c(C)cccc1C	217298131	SLXFDHWWIXPWDY-IBGZPJMESA-N	384.520	4.840	70	10	GJIE	
O=S(=O)(Cl)c1c(C(F)(F)F)cc(OC(F)(F)F)cc1C(F)(F)F	2055422331	NLQFUQITRZRWKZ-UHFFFAOYSA-N	396.614	4.550	70	10	GJIE	
CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC([B-](F)(F)F)CC2)c1	2231046513	BTCBODOYLXQXAL-UHFFFAOYSA-N	385.215	4.512	70	10	GJIE	
CN(c1nc2ccc([B-](F)(F)F)cc2s1)C1CC(OCc2ccccc2)C1	2279015055	CVNSUBBAYACICB-UHFFFAOYSA-N	391.247	4.535	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CC[C@H](CS(=O)(=O)Cl)C2CC2)c1	1952693592	WIKKFCQAGIVSOQ-OAHLLOKOSA-N	387.929	4.561	70	10	GJIE	
CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1	2190466106	XNIXDOUIHAWTHP-HNNXBMFYSA-N	399.242	4.806	70	10	GJIE	
CC(C)[C@H](C)[C@@H](C)Oc1cc(F)c(S(=O)(=O)Cl)cc1Br	2365690990	QAWIGHXOJUKDEY-DTWKUNHWSA-N	387.698	4.575	70	10	GJIE	
CCN[C@H](CSc1ccc(Br)cc1)c1c(Cl)cnn1CC	160694789	SJXOINQRIKEXJV-CQSZACIVSA-N	388.762	4.762	70	10	GJIE	
CN[C@@H](c1ccc(C)cc1Br)c1cc(Br)ccc1OC	161011704	VAVNYSFDAGAUJA-INIZCTEOSA-N	399.126	4.837	70	10	GJIE	
O=C(Nc1ccccc1CNC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1	216807663	CRSRFGPLQHPKOL-UHFFFAOYSA-N	398.384	4.784	70	10	GJIE	
O=C(N/C=C/c1cccc(Br)c1)NCCc1ccccc1Cl	218090769	OWRSMBYKODYCOK-CSKARUKUSA-N	379.685	4.615	70	10	GJIE	
C=C(Br)CCOc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl	2044982679	VPZXDMJBFXMZCX-UHFFFAOYSA-N	394.501	4.598	70	10	GJIE	
C[C@H](C(=O)N1CCC[C@@H]([B-](F)(F)F)C1)c1ccc(NC(=O)OC(C)(C)C)cc1	2190465242	RJZDCXKGJPWASO-DZGCQCFKSA-N	399.242	4.977	70	10	GJIE	
Cc1cc(OCc2ccc(Br)cc2)cc(C)c1S(=O)(=O)Cl	112360104	FMFMRPFXJPNTJK-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CCCN[C@@H](CSc1cccc(Br)c1)c1c(Cl)cnn1C	160785292	WFNJDYHQKSTEDC-AWEZNQCLSA-N	388.762	4.669	70	10	GJIE	
CCOc1ccc(OCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1	217307495	SCOKXBRGEQBXCR-UHFFFAOYSA-N	390.483	4.834	70	10	GJIE	
Cc1cc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)ccc1NC(=O)OC(C)(C)C	2194129572	VRRXTDALZRRCLM-IFXJQAMLSA-N	397.226	4.796	70	10	GJIE	
CC[C@@H]1C[C@H]1CCOc1c(Cl)cc(Br)cc1S(=O)(=O)F	2236504349	VRBXPMRLVZRINV-RKDXNWHRSA-N	385.682	4.576	70	10	GJIE	
CC(C)=C(Br)COc1ccc(S(=O)(=O)Cl)cc1C(C)C	2365872680	IWHHBMJUEFQTNW-UHFFFAOYSA-N	381.719	4.805	70	10	GJIE	
CCCCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl	59080082	GEFRYKAOEQBCQH-UHFFFAOYSA-N	376.099	4.599	70	10	GJIE	
COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cc(Cl)c(OC)cc2OC)c1	160003975	PGWVTYMMXJGCPX-OLZOCXBDSA-N	379.884	4.786	70	10	GJIE	
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NCc1ccncc1	160781251	IRHVYKAXWLRBMS-GFCCVEGCSA-N	390.274	4.516	70	10	GJIE	
Cc1cc([C@H](N)Cc2ccc(OC(F)(F)F)cc2)sc1Br	161471884	HOOUPPLMSGOPAY-LLVKDONJSA-N	380.229	4.960	70	10	GJIE	
Cc1cc(Br)ccc1NC(=O)N[C@H](C)Oc1ccc(Cl)cc1	217295253	CVKZLMSIXCMOMD-NSHDSACASA-N	383.673	4.957	70	10	GJIE	
CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1)CCC2	160629861	WMHGDMXEOVUZGD-BDJLRTHQSA-N	379.476	4.764	70	10	GJIE	
F[B-](F)(F)c1cnc(SCc2ccccc2Cl)c(Br)c1	2116126230	NCLYXTTVEQXGPV-UHFFFAOYSA-N	381.433	4.844	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2ccc(Cl)c(Br)c2)cc1	2166787093	RCSLCOIJARXSBX-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
CC(C)=C(CN1C[C@@]23CCC[C@@]2(C1)CN(Cc1ccccc1)C3)[B-](F)(F)F	2340315755	SQPKHZONTVEYOU-SFTDATJTSA-N	377.283	4.698	70	10	GJIE	
Cc1cnc(CCN(C)C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)s1	161465264	HJCLZSMEJAXDMP-HXUWFJFHSA-N	397.519	4.759	70	10	GJIE	
C[C@H](CC(=O)Nc1nc2c(s1)C(=O)CCC2)c1ccc(C(F)(F)F)cc1	216722939	JEOWRPVSZFBYLO-SNVBAGLBSA-N	382.407	4.813	70	10	GJIE	
O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(C(F)(F)F)cc1	217292606	CTQJJGSVOSDKLP-UHFFFAOYSA-N	379.359	4.521	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC[C@@H]([B-](F)(F)F)C1	2133917833	YRXDCVQCXKPUIU-LLVKDONJSA-N	389.178	4.626	70	10	GJIE	
F[B-](F)(F)c1ccc2nc(N3CCC[C@H](OCc4ccccc4)C3)sc2c1	2279028406	JYWJPRLMWPWXPP-INIZCTEOSA-N	391.247	4.536	70	10	GJIE	
CC(C)CNC[C@@H](Cc1ccc(I)cc1)C1CCCC1	160016857	NLJRVHIRAUASJB-QGZVFWFLSA-N	385.333	4.886	70	10	GJIE	
CC(C)c1cc(Br)ccc1Oc1ccc(S(=O)(=O)Cl)cn1	160175472	PXYULWPBOHBDAW-UHFFFAOYSA-N	390.686	4.687	70	10	GJIE	
COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(SC)c(F)c2)cc1OC	161215681	HXUVCGRTCTUAHA-CABCVRRESA-N	393.524	4.993	70	10	GJIE	
Cc1cc(Br)cc([C@H](N)Cc2ccc(F)cc2Br)c1	161366827	ZMNJDEAMDIQQIY-OAHLLOKOSA-N	387.090	4.902	70	10	GJIE	
Cc1ccc(F)cc1Oc1ccc(S(=O)(=O)Cl)cc1Br	230687519	OFWWZVYFISOUQE-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCCCOCc1ccccc1	386052945	CGJUNUYIUKFTQM-UHFFFAOYSA-N	382.909	4.525	70	10	GJIE	
CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)N1CCC[C@H]([B-](F)(F)F)C1	2133913608	PHTYQQSCWHDDAH-AWEZNQCLSA-N	393.279	4.548	70	10	GJIE	
CC(C)[C@H](CCCC(=O)N1CCC[C@H]([B-](F)(F)F)C1)NC(=O)OC(C)(C)C	2227046172	SUOJWNLESVOFTL-GJZGRUSLSA-N	393.279	4.546	70	10	GJIE	
Cc1cc([C@@H](N)Cc2ccc(OC(F)(F)F)cc2)sc1Br	161471970	HOOUPPLMSGOPAY-NSHDSACASA-N	380.229	4.960	70	10	GJIE	
O=C(c1ccsc1)c1ccc(CNC(=O)c2ccc(F)cc2Cl)s1	217293351	ICQFITJXAWOZAJ-UHFFFAOYSA-N	379.865	4.763	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCc2cccc(Br)c2)c(Cl)c1	59075252	XIKXOEGWICQXJD-UHFFFAOYSA-N	396.089	4.609	70	10	GJIE	
Cc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ccc(Br)cc1	59148015	ZREBPBDXRVXPDI-UHFFFAOYSA-N	389.698	4.572	70	10	GJIE	
CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1	160796577	KSBKNBULMPEOKU-ROUUACIJSA-N	390.531	4.675	70	10	GJIE	
CC(C)[C@H](CCCC(=O)N1CCC([B-](F)(F)F)CC1)NC(=O)OC(C)(C)C	2231060443	UQXPVFPGEZGDEG-HNNXBMFYSA-N	393.279	4.546	70	10	GJIE	
CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)N1CC[C@](C)([B-](F)(F)F)C1	2342484809	FTRYNPCMUDQGBO-SFHVURJKSA-N	393.279	4.548	70	10	GJIE	
C[C@H](N[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(-n2ccnn2)cc1	159866203	JILMXOLHLPLVAH-GJZGRUSLSA-N	393.878	4.988	70	10	GJIE	
NC[C@@H](c1c(Cl)cccc1Cl)[C@@H](O)c1c(F)cccc1Br	161327810	ANQIRBCVVYSZPP-VXJOIVPMSA-N	393.083	4.671	70	10	GJIE	
O=C(c1ccccc1C(F)(F)F)N(CCc1cccs1)C1CCOCC1	217291371	HGZMDGRLYAXXHN-UHFFFAOYSA-N	383.435	4.631	70	10	GJIE	
Cc1cc(NC(=O)NCOc2c(C)ccc(C)c2C)ccc1Br	217295737	JQDSVSHTOSXSDK-UHFFFAOYSA-N	377.282	4.841	70	10	GJIE	
O=S(=O)(Cl)c1ccc(OCC2CCCCCC2)c(Br)c1	380154559	TXGDYIJRHSWVIP-UHFFFAOYSA-N	381.719	4.726	70	10	GJIE	
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C=CS(=O)(=O)Cl	1952270693	ZHPNZKUZARJEBT-UHFFFAOYSA-N	385.791	4.592	70	10	GJIE	
Cc1cc(Br)cc(S(=O)(=O)Cl)c1O[C@H](C)CCC(C)C	2146474947	ALYVYZZCQAYZDI-LLVKDONJSA-N	383.735	4.889	70	10	GJIE	
CC(C)=C(Br)COc1cc(Cl)c(S(=O)(=O)F)cc1Cl	2340156400	KTJRZNCZQFKECF-UHFFFAOYSA-N	392.073	4.719	70	10	GJIE	
Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1	2194129304	UNSLFHYGPKBSRS-YJYMSZOUSA-N	397.226	4.796	70	10	GJIE	
Cc1cc(Oc2ccc(Br)c(F)c2)ccc1S(=O)(=O)Cl	115690124	GLNXHLVDGMITGJ-UHFFFAOYSA-N	379.634	4.616	70	10	GJIE	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC[C@@H](c4nccs4)C3)c2C)c1	160849552	VFWGFDLTMLMKNJ-QGZVFWFLSA-N	395.532	4.666	70	10	GJIE	
Cc1ccc2ccccc2c1[C@H](N)c1csc(I)c1	160876589	YLDFEPANXLKWAE-MRXNPFEDSA-N	379.266	4.862	70	10	GJIE	
CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCCCOc1c(C)cccc1C	217298130	SLXFDHWWIXPWDY-LJQANCHMSA-N	384.520	4.840	70	10	GJIE	
C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)c1nc(C(C)(C)C)no1	159758079	BMBGJXHAVJMMAF-JTQLQIEISA-N	377.901	4.669	70	10	GJIE	
CCOc1ccc2nc(-c3cc(Br)ccc3Br)[nH]c2n1	160860891	ORXGIIWTICJMNY-UHFFFAOYSA-N	397.070	4.549	70	10	GJIE	
CC(C)N(CCc1nccs1)Cc1nc(-c2c(F)cccc2F)cs1	161019672	GFLRSQCXSPSDGO-UHFFFAOYSA-N	379.501	4.998	70	10	GJIE	
O[C@@H](c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Br	161039515	FCWUNIPVYFJBNV-INIZCTEOSA-N	398.094	4.618	70	10	GJIE	
C[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ncc(-c2ccc(Cl)cc2)o1	159866362	JILMXOLHLPLVAH-CABCVRRESA-N	393.878	4.988	70	10	GJIE	
O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc(CCC(F)(F)F)cc1	160446264	RTCUTEJVVBBRSF-UHFFFAOYSA-N	393.409	4.641	70	10	GJIE	
CCCn1ncc(Cl)c1[C@H](CSc1ccc(Br)cc1)NC	160693166	FIHPZRSUPZIVFS-AWEZNQCLSA-N	388.762	4.762	70	10	GJIE	
CC(C)(C)OC(=O)Nc1c(C=CCS(=O)(=O)Cl)cccc1C(F)(F)F	1952409991	DRPSTILMFDIPMD-UHFFFAOYSA-N	399.818	4.634	70	10	GJIE	
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)c1cc(Br)ccc1F	217515963	YJZKDOSLYNFVNE-LBPRGKRZSA-N	386.261	4.561	70	10	GJIE	
Nc1ccc(Br)c(C(=O)c2c[nH]c3cccc(Br)c23)c1	159472690	ACOIWEVQWYHINO-UHFFFAOYSA-N	394.066	4.506	70	10	GJIE	
O=C(NCCCOc1ccc(Br)cc1Cl)NC1CCCCC1	217298856	JDECMBDFRDOVST-UHFFFAOYSA-N	389.721	4.503	70	10	GJIE	
C=C1CCC(COc2ccc(S(=O)(=O)Cl)cc2Br)CC1	724595193	OLBYZDQODRGGJZ-UHFFFAOYSA-N	379.703	4.502	70	10	GJIE	
Cc1sc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c(Br)c1C	2237680749	RGRJDIRFGOXYPZ-TVQRCGJNSA-N	381.046	4.581	70	10	GJIE