smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587718761	JRFFBDHAWXKXDE-BMLIUANNSA-N	561.189	4.995	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2c(F)cccc2F)CC1	217616598	QAXCJOGSOCVEML-UHFFFAOYSA-N	537.588	4.524	70	1	KJIF	
C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587606030	FWWIXAYDQWNRQP-NQIIRXRSSA-N	509.761	4.959	70	1	KJIF	
CC(C)c1nn(C)c2c1[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)NCC2	962919462	KGJLNYJKADADKU-SSEXGKCCSA-N	502.042	4.920	70	1	KJIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1	586926557	MGUVBNGNEZLWAV-UHFFFAOYSA-N	503.962	4.870	70	1	KJIF	
CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587447917	GKJZIQBUTYGIGM-SJHOIFEDSA-N	550.591	4.931	70	1	KJIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)c2cccc3ccccc23)cc1	43307547	USTBQSKRMYGJAA-SANMLTNESA-N	572.666	4.649	70	1	KJIF	
CN(C)C(=O)c1ccc2c(c1)[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C1CC1)NCC2	962929306	IXFDMIUPKIPHLG-UMSFTDKQSA-N	518.641	4.936	70	1	KJIF	
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)cc1OC	195228750	QUCLOADITGRTDY-XIAMHYJPSA-N	501.652	4.562	70	1	KJIF	
C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(I)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1	161333588	XMXDDGCAJMJKDM-KOFZLDTLSA-N	733.644	4.768	70	1	KJIF	
CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587448088	HQVLVQXKKIXZOW-LHXZUMEBSA-N	536.564	4.541	70	1	KJIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Br)cnc(Br)c2[nH]1	586925591	TXEPLHTVFGXJBQ-UHFFFAOYSA-N	515.998	4.739	70	1	KJIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587850640	RCVHGKXWRRVZRH-BMLIUANNSA-N	511.638	4.688	70	1	KJIF	
CNC(=O)c1cccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)c1	42784558	OYCWFOLWJZRICL-UHFFFAOYSA-N	589.636	4.510	70	1	KJIF	
CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	159941347	BSDXYIWCUAIMTD-FFKBWNOWSA-N	693.767	4.609	70	3	KJIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587848313	HWZKTTYFFOTRPE-QGHHPUGFSA-N	511.638	4.688	70	1	KJIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587845473	AVGMMQIVSITNFW-UOWDBTKRSA-N	525.054	4.992	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCCC(F)(F)F)CC1	217629794	ZWYXHJWBKPJIIF-UHFFFAOYSA-N	527.590	4.797	70	1	KJIF	
O=S(=O)(Cl)c1ccc([C@@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1	962701284	JYQRBJLHICJVPD-QRWLVFNGSA-N	504.874	4.755	70	1	KJIF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@]2(CCc3cc(S(=O)(=O)Cl)ccc32)N1C(C)=O	963329355	MTANPEGBEGQKCW-WQDXIGEJSA-N	784.265	4.607	70	1	KJIF	
C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1	963447472	KKUZQKXEQPJUBK-BKMJKUGQSA-N	508.983	4.511	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCC(F)=C(F)F)CC1	217615947	LHUHWZZOWLJDMD-UHFFFAOYSA-N	525.574	4.922	70	1	KJIF	
NC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12	114346570	LOAVESSHNMDODA-UHFFFAOYSA-N	581.935	4.924	70	1	KJIF	
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(F)c(C(=O)NCc3c(C)cccc3C)c2)NC(=O)N1	217049809	ISUFLCGFYQDRGM-SANMLTNESA-N	526.572	4.515	70	1	KJIF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5ccc(S(=O)(=O)Cl)c(Cl)c5)[nH]c4c3)cc2)CC1	586926442	AFVLTBKHBPOVQQ-UHFFFAOYSA-N	558.491	4.811	70	1	KJIF	
CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1	160508080	ITMKVWJTHUXBLD-UHFFFAOYSA-N	710.597	4.548	70	1	KJIF	
Cc1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccc1NS(=O)(=O)c1cccc2nccnc12	217622521	VWBRIMDBHZOBNY-UHFFFAOYSA-N	537.041	4.516	70	1	KJIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587848310	HWZKTTYFFOTRPE-DYZYQPBXSA-N	511.638	4.688	70	1	KJIF	
O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587359675	IJWQLEKZZLBTPZ-ISKFKSNPSA-N	504.919	4.578	70	1	KJIF	
C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963191757	ZCTUXYAOJAWDSH-PXAZEXFGSA-N	502.725	4.802	70	1	KJIF	
COC(=O)c1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c(F)c1Nc1ccccc1	586924601	GLLDPYHEPHQFCX-UHFFFAOYSA-N	533.965	4.768	70	1	KJIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl	586926460	LCNKDJOGRZLTID-UHFFFAOYSA-N	502.548	4.772	70	1	KJIF	
COCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)ccc1OC	195223593	ZRJHQHVLDOVAAM-GYMHQZMGSA-N	531.678	4.536	70	1	KJIF	
COc1cc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924598	GICFZJNWJQVZNC-UHFFFAOYSA-N	513.719	4.880	70	1	KJIF	
COc1cc2c(cc1OC)[C@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)N(C(=O)c1ccccc1N)CC2	963134405	CGHVXFJYCSXTNW-HHHXNRCGSA-N	529.058	4.812	70	1	KJIF	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1	586925030	KRXARZHVWYHPFD-UHFFFAOYSA-N	508.177	4.759	70	1	KJIF	
COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)c1	195218732	TUYPNQDBAJGYTO-TYRKEJLSSA-N	501.652	4.562	70	1	KJIF	
COc1cc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925042	LAZFOEVNBIBPRB-UHFFFAOYSA-N	590.001	4.918	70	1	KJIF	
CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587410307	WZAMDPSGNCZSDH-JGCGQSQUSA-N	523.569	4.641	70	1	KJIF	
CC(C)C[C@@H](/C=C/S(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	653900930	KPVPLBDTSPRLKP-AVPFPNAWSA-N	668.873	4.733	70	1	KJIF	
CCCc1c(O)ccc2c1O[C@@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)CC2=O	587464644	VGBYCLIFFMOVNJ-IBGZPJMESA-N	523.323	4.834	70	1	KJIF	
C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587606032	FWWIXAYDQWNRQP-WIYYLYMNSA-N	509.761	4.959	70	1	KJIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OS(=O)(=O)C(F)(F)F)c(Cl)cc1F	587892403	RTOLDCMDCILASP-UHFFFAOYSA-N	518.699	4.725	70	1	KJIF	
O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1)Oc1c(F)c(F)c(F)c(F)c1F	962646064	STBXKRCBKQSXAF-AWLITPKASA-N	789.751	4.910	70	1	KJIF	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1Br	587895691	GZLJLWQMMIRCPL-UHFFFAOYSA-N	509.636	4.702	70	1	KJIF	
COC(=O)c1ccc(Oc2ccc3nc(Cc4cc(OC)c(OC)c(S(=O)(=O)Cl)c4)[nH]c3c2)cc1	586924342	BNRMBKIDEXSEQI-UHFFFAOYSA-N	516.959	4.677	70	1	KJIF	
COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1	217614628	TWVRLLNZVFNVRQ-UHFFFAOYSA-N	552.052	4.821	70	1	KJIF	
CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1	586927408	YDHPBEIELFQJTK-UHFFFAOYSA-N	541.276	4.604	70	1	KJIF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1	587609811	WEEMTUHFXAOXDY-RXVVDRJESA-N	509.761	4.572	70	1	KJIF	
Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCC(=O)O)c1ccc(S(=O)(=O)Cl)cc1	963841278	KUFYHUSQNZWDAB-NIYFSFCBSA-N	552.045	4.667	70	1	KJIF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc1)O2	587383120	XYBBRPURKPGCHB-RUZDIDTESA-N	710.649	4.771	70	1	KJIF	
COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)cc1OC	195228763	QUCLOADITGRTDY-DAJTYMAISA-N	501.652	4.562	70	1	KJIF	
Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)c1	218784255	HROJTKYIOILUTP-SKMGTXQRSA-N	510.700	4.597	70	1	KJIF	
O=S(=O)(Cl)c1ccc([C@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1	962701283	JYQRBJLHICJVPD-MGPUTAFESA-N	504.874	4.755	70	1	KJIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587845472	AVGMMQIVSITNFW-NXSYQRQQSA-N	525.054	4.992	70	1	KJIF	
Cn1c(C(=O)C(Cl)(Cl)Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1S(=O)(=O)Cl	587896943	YCQDGAUKOZKWJX-UHFFFAOYSA-N	565.089	4.523	70	1	KJIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	586928286	UUKMLZQLUWQUMD-UHFFFAOYSA-N	588.517	4.819	70	1	KJIF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc1-2	586927342	FQLXVCMKGOHNJF-UHFFFAOYSA-N	569.409	4.734	70	1	KJIF	
COc1cc2c(cc1OC)[C@]1(c3ccc(S(=O)(=O)Cl)cc3CC1(Cl)Cl)N(C(=O)c1ccccc1N)CC2	963147072	ASHHVBNDDCZTGT-SANMLTNESA-N	581.905	4.886	70	1	KJIF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1	962970206	QZXMGRPUHSEDNJ-CLAHSXSESA-N	607.471	4.849	70	1	KJIF	
C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N3CCCCC3=O)cc1)c1ccccc12	197085831	ACJXWVZLFCGAQD-OZJYBUQCSA-N	510.682	4.908	70	1	KJIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587850644	RCVHGKXWRRVZRH-DYZYQPBXSA-N	511.638	4.688	70	1	KJIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl	587891469	GKUWJUOWLNLATQ-UHFFFAOYSA-N	500.709	4.530	70	1	KJIF	
COCOc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@H]2O[SiH2]C(C)(C)C)ccc1OC	195223605	ZRJHQHVLDOVAAM-ASLZUZDJSA-N	531.678	4.536	70	1	KJIF	
CCc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1S(=O)(=O)Cl	586927496	NXKNFVPDZJAGLM-UHFFFAOYSA-N	563.018	4.643	70	1	KJIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587723805	XWTVTDIWXQUIDB-QGHHPUGFSA-N	561.189	4.995	70	1	KJIF	
FC(F)(F)C1(C(F)(F)F)O[SiH-]2(OC(C(F)(F)F)(C(F)(F)F)c3ccccc32)c2ccccc21	195478065	IJAMTKKRLIDMCC-UHFFFAOYSA-N	513.330	4.676	70	1	KJIF	
COc1cc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925449	PMCUIULEINKIIC-UHFFFAOYSA-N	529.718	4.760	70	1	KJIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587718768	JRFFBDHAWXKXDE-DYZYQPBXSA-N	561.189	4.995	70	1	KJIF	
COc1cc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924703	HJEUYACXWNHNLF-UHFFFAOYSA-N	513.719	4.880	70	1	KJIF	
O=C1N(Cc2ccc(CO)cc2)C(Cc2ccccc2)=P(O)(O)[C@@H](Cc2ccccc2)N1Cc1ccc(CO)cc1	169721471	LPJNGLWPPCEJAA-HKBQPEDESA-N	570.626	4.883	70	1	KJIF	
C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963191769	ZCTUXYAOJAWDSH-SJKOYZFVSA-N	502.725	4.802	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1	217661407	HUWDEOQKHDGFFT-UHFFFAOYSA-N	570.593	4.659	70	1	KJIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	586928384	YYMBZCLENQKTLW-UHFFFAOYSA-N	602.544	4.862	70	1	KJIF	
CN(C)C(=O)c1ccc2c(c1)[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C1CC1)NCC2	962929311	IXFDMIUPKIPHLG-UUWRZZSWSA-N	518.641	4.936	70	1	KJIF	
COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)C[C@@H]2O[SiH2]C(C)(C)C)c1	195218720	TUYPNQDBAJGYTO-UHSZJLINSA-N	501.652	4.562	70	1	KJIF	
COC(=O)C([C@]1(C2CCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1	963506957	GQAVRGFOIOBATL-RYWJPUDZSA-N	593.660	4.634	70	1	KJIF	
COc1cc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925465	QCPGWRTTXUKMKU-UHFFFAOYSA-N	517.829	4.896	70	1	KJIF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccc(Cl)c(S(=O)(=O)Cl)c5)[nH]c4c3)cc2)CC1	586926605	NJQVGCAWAYVKOZ-UHFFFAOYSA-N	572.518	4.853	70	1	KJIF	
O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587359691	IJWQLEKZZLBTPZ-VWNXMTODSA-N	504.919	4.578	70	1	KJIF	
CC(=O)O[C@H]1[C@@H](OC(=O)c2cccnc2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1cccnc1	161404769	FVMMOSQBOWPRQW-DMAIFBPDSA-N	642.705	4.999	70	1	KJIF	
COc1cc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925956	ZPVJHDSZYZVUTM-UHFFFAOYSA-N	529.718	4.760	70	1	KJIF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2F)N1C(C)=O	963327831	AFFZDWJOBKLIPS-RRURFNPQSA-N	790.244	4.820	70	1	KJIF	
Cc1nc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12	217622068	OLSSXHKZILRLPY-UHFFFAOYSA-N	537.041	4.516	70	1	KJIF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2F)N1C(C)=O	963327830	AFFZDWJOBKLIPS-DTKZEWQESA-N	790.244	4.820	70	1	KJIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587723801	XWTVTDIWXQUIDB-BTDLBPIBSA-N	561.189	4.995	70	1	KJIF	
COc1cc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925738	VNFLPCNSFVHOOD-UHFFFAOYSA-N	524.618	4.623	70	1	KJIF	
CCc1ccc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1S(=O)(=O)Cl	586927503	NXWQZKFLJZYTNR-UHFFFAOYSA-N	566.127	4.762	70	1	KJIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587849205	KCGWYHGPZJBIOR-WJWGPLDTSA-N	525.054	4.992	70	1	KJIF	
O=C(NCc1ccc(-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1)c1ccc(S(=O)(=O)F)cc1	1857617979	ALLKYFRFVNIHGD-UHFFFAOYSA-N	532.519	4.956	70	1	KJIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587850646	RCVHGKXWRRVZRH-QGHHPUGFSA-N	511.638	4.688	70	1	KJIF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5ccc(Cl)c(S(=O)(=O)Cl)c5)[nH]c4c3)cc2)CC1	586926446	KWSNNRWUFOEZTP-UHFFFAOYSA-N	558.491	4.811	70	1	KJIF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Cl)c(S(=O)(=O)Cl)cc4OC)[nH]c3c2)cc1	586927367	FSAROPATOJJPPF-UHFFFAOYSA-N	542.422	4.629	70	1	KJIF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1	962970208	QZXMGRPUHSEDNJ-RTHLEPHNSA-N	607.471	4.849	70	1	KJIF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1	586929291	SHOZAABHRWTULN-UHFFFAOYSA-N	526.423	4.929	70	1	KJIF	
Cc1cc(-c2nc3cc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)ccc3[nH]2)ccc1S(=O)(=O)Cl	586926803	AIIJMKVZUQSGJU-UHFFFAOYSA-N	552.100	4.508	70	1	KJIF	
O=S(=O)(Cl)c1ccc([C@]2(CBr)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1	962701280	JYQRBJLHICJVPD-FOIQADDNSA-N	504.874	4.755	70	1	KJIF	
COc1cc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924320	AMHFSTOZXZDCCD-UHFFFAOYSA-N	556.449	4.553	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2cccc(F)c2F)CC1	217624249	MUNDAAVZFINRMH-UHFFFAOYSA-N	537.588	4.524	70	1	KJIF	
C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587606029	FWWIXAYDQWNRQP-GHTZIAJQSA-N	509.761	4.959	70	1	KJIF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586925998	DDAKYJAYMUTKKJ-UHFFFAOYSA-N	512.396	4.620	70	1	KJIF	
COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc1)[C@@H](C2)C3=O	587423935	LUFUGTZQNKDSGP-FLASPHMUSA-N	723.644	4.671	70	1	KJIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1OC(F)(F)F	587892020	VYIDGTZJCGPXTF-UHFFFAOYSA-N	500.709	4.530	70	1	KJIF	
CCCCNS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1	586926660	NRSQKMMYCILAJK-UHFFFAOYSA-N	541.276	4.652	70	1	KJIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587718772	JRFFBDHAWXKXDE-QGHHPUGFSA-N	561.189	4.995	70	1	KJIF	
CCc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1S(=O)(=O)Cl	586928029	WRHWEMMKJYPYCP-UHFFFAOYSA-N	506.005	4.529	70	1	KJIF	
CC(C)CCC[C@@H](COS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C	161383962	DRQDWBURWMFYSV-ZGNICIQBSA-N	658.854	4.813	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(Cc2ccccc2F)CC1	217631250	LJNNNHHNUJSXBP-UHFFFAOYSA-N	537.588	4.524	70	1	KJIF	
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)c(C(=O)NCc3c(C)cccc3C)c2)NC(=O)N1	217049769	ISUFLCGFYQDRGM-AREMUKBSSA-N	526.572	4.515	70	1	KJIF	
C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963191767	ZCTUXYAOJAWDSH-SJCJKPOMSA-N	502.725	4.802	70	1	KJIF	
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	160914779	SBLVFOLUIRWCFR-HPYHLGIWSA-N	993.172	4.997	70	1	KJIF	
O=C(O)CC[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587359685	IJWQLEKZZLBTPZ-UPVQGACJSA-N	504.919	4.578	70	1	KJIF	
C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1	963447475	KKUZQKXEQPJUBK-NVQXNPDNSA-N	508.983	4.511	70	1	KJIF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1	587609808	WEEMTUHFXAOXDY-NQIIRXRSSA-N	509.761	4.572	70	1	KJIF	
COc1cc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925311	OGNAMOLONNFZBR-UHFFFAOYSA-N	524.618	4.623	70	1	KJIF	
CCCCC[C@@H]1OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]1C	161281739	NIFSOTSGUFBSPF-MJZFXANDSA-N	740.983	4.771	70	1	KJIF	
CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)F)C3(C)C)N2C(=O)OC(C)(C)C	962714206	VLHLPVAOYZLTOW-NEGKNNBRSA-N	539.641	4.798	70	1	KJIF	
C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587606031	FWWIXAYDQWNRQP-RXVVDRJESA-N	509.761	4.959	70	1	KJIF	
N=C(N)c1ccc(CC(NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)OCc2ccccc2)=P(O)(O)c2ccccc2)cc1	169716071	XWBDKDUEXQUPGK-JGCGQSQUSA-N	634.673	4.608	70	1	KJIF	
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2F)CC1	217780109	FDOSVZMFYDBOKV-UHFFFAOYSA-N	527.590	4.639	70	1	KJIF	
O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1)Oc1c(F)c(F)c(F)c(F)c1F	962646074	STBXKRCBKQSXAF-FXBDCZLJSA-N	789.751	4.910	70	1	KJIF	
CC1(C)N=C(N)N=C(N)N1c1ccc(C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)c2cccc3ccccc23)cc1	43307549	USTBQSKRMYGJAA-AREMUKBSSA-N	572.666	4.649	70	1	KJIF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1	587552853	CEGKVXXTUMSDKA-NQIIRXRSSA-N	559.312	4.878	70	1	KJIF	
CCc1ccc(-c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1S(=O)(=O)Cl	586926819	GCTBFZBSVQVVTR-UHFFFAOYSA-N	552.100	4.720	70	1	KJIF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3c2)cc1	586927587	ORVJQEWUXWMZFG-UHFFFAOYSA-N	512.396	4.620	70	1	KJIF	
CCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1	217613250	CZMGWNNTAKLVJV-UHFFFAOYSA-N	523.655	4.867	70	1	KJIF	
COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc1)[C@@H](C2)C3=O	587423936	LUFUGTZQNKDSGP-WYOOIXGGSA-N	723.644	4.671	70	1	KJIF	
CCCOc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br	586925348	OSDVOUXUGVYEGZ-UHFFFAOYSA-N	503.802	4.650	70	1	KJIF	
O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1)Oc1c(F)c(F)c(F)c(F)c1F	962646071	STBXKRCBKQSXAF-FPCLRPRSSA-N	789.751	4.910	70	1	KJIF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1	587609813	WEEMTUHFXAOXDY-WIYYLYMNSA-N	509.761	4.572	70	1	KJIF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1	962970207	QZXMGRPUHSEDNJ-RMLUDKJBSA-N	607.471	4.849	70	1	KJIF	
CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587447915	GKJZIQBUTYGIGM-ANHUGMMASA-N	550.591	4.931	70	1	KJIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587845470	AVGMMQIVSITNFW-JKYUHCHBSA-N	525.054	4.992	70	1	KJIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587850642	RCVHGKXWRRVZRH-BTDLBPIBSA-N	511.638	4.688	70	1	KJIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587718765	JRFFBDHAWXKXDE-BTDLBPIBSA-N	561.189	4.995	70	1	KJIF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1	962970209	QZXMGRPUHSEDNJ-XLKFXECMSA-N	607.471	4.849	70	1	KJIF	
CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1ccccc1NC(=O)c1cccc(O)c1NC(=O)c1ccccc1N(C)C)[C@H]1[C@@H](C[C@H]3C)C1(C)C	160502605	NWUXCAUIAMSMJQ-IYVCBSORSA-N	749.861	4.956	70	1	KJIF	
COC(=O)C1=C(OC)C(=[P@@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC	102940685	SZXBFKJYYYMBQY-VQJSHJPSSA-N	568.562	4.814	70	1	KJIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(OC(F)(F)F)c1	587891454	FMILDNHTIUIGNE-UHFFFAOYSA-N	500.709	4.530	70	1	KJIF	
C[C@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1)C(F)(F)F	217619498	AYRNXOJQACAJDH-OAHLLOKOSA-N	527.590	4.653	70	1	KJIF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c3c2)cc1	586928587	DVTKAGXZBPGIEO-UHFFFAOYSA-N	526.423	4.929	70	1	KJIF	
CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1	217076651	POFMIZPRPLFRFO-UHFFFAOYSA-N	510.642	4.686	70	1	KJIF	
COc1cc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924329	AWYCKQFDUYAXLI-UHFFFAOYSA-N	556.449	4.553	70	1	KJIF	
CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587448097	HQVLVQXKKIXZOW-YDYNHKSESA-N	536.564	4.541	70	1	KJIF	
CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)F)C3(C)C)N2C(=O)OC(C)(C)C	962714207	VLHLPVAOYZLTOW-SVAMCSGHSA-N	539.641	4.798	70	1	KJIF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cc(S(=O)(=O)F)ccc5Cl)[nH]c4c3)cc2)CC1	587181083	RDOGRCBGQJQJLH-UHFFFAOYSA-N	542.036	4.541	70	1	KJIF	
CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	159941207	BSDXYIWCUAIMTD-IAIFJXJZSA-N	693.767	4.609	70	3	KJIF	
CNC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1	42784640	AUFOWYXFFKBIDT-UHFFFAOYSA-N	589.636	4.510	70	1	KJIF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3c2)cc1	586926891	ROEKHSNBFLPSJH-UHFFFAOYSA-N	512.396	4.620	70	1	KJIF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc1-2	586927816	SBGWMESQISXQGA-UHFFFAOYSA-N	569.409	4.734	70	1	KJIF	
CCCc1c(O)ccc2c1O[C@](COS(=O)(=O)C(F)(F)F)(c1ccc(Br)cc1)CC2=O	587464645	VGBYCLIFFMOVNJ-LJQANCHMSA-N	523.323	4.834	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cc(F)cc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1	217628376	XYZNQEXENGDFOI-UHFFFAOYSA-N	540.016	4.952	70	1	KJIF	
C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963191772	ZCTUXYAOJAWDSH-YVEFUNNKSA-N	502.725	4.802	70	1	KJIF	
Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCC(=O)O)c1ccc(S(=O)(=O)Cl)cc1	963841277	KUFYHUSQNZWDAB-BCHFMIIMSA-N	552.045	4.667	70	1	KJIF	
C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1	963441331	CJUZQZQRPOMCOY-NVQXNPDNSA-N	558.534	4.812	70	1	KJIF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1	586927989	NHHHKUWAGPXYOE-UHFFFAOYSA-N	542.422	4.629	70	1	KJIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587849203	KCGWYHGPZJBIOR-NXSYQRQQSA-N	525.054	4.992	70	1	KJIF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)Cl)cc1	587609804	WEEMTUHFXAOXDY-GHTZIAJQSA-N	509.761	4.572	70	1	KJIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc1)O2	587383130	XYBBRPURKPGCHB-VWLOTQADSA-N	710.649	4.771	70	1	KJIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587723803	XWTVTDIWXQUIDB-DYZYQPBXSA-N	561.189	4.995	70	1	KJIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1	586926793	QFRWSSBPKOWORW-UHFFFAOYSA-N	532.972	4.573	70	1	KJIF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1	587552848	CEGKVXXTUMSDKA-GHTZIAJQSA-N	559.312	4.878	70	1	KJIF	
CC(C)[C@@H](CP(O)(O)=C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	169721608	OQFMUZIJXRUFEE-PXJZQJOASA-N	619.655	4.683	70	1	KJIF	
O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1)Oc1c(F)c(F)c(F)c(F)c1F	962646069	STBXKRCBKQSXAF-BYHBGFKFSA-N	789.751	4.910	70	1	KJIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)N1	587723799	XWTVTDIWXQUIDB-BMLIUANNSA-N	561.189	4.995	70	1	KJIF	
CCc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1S(=O)(=O)Cl	586927710	QPXWADZWFUKDHQ-UHFFFAOYSA-N	506.005	4.529	70	1	KJIF	
COC(=O)C1=C(OC)C(=[P@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC	73333457	SZXBFKJYYYMBQY-RWYGWLOXSA-N	568.562	4.814	70	1	KJIF	
COc1cc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925582	SXKDBCHXRBLRFS-UHFFFAOYSA-N	503.802	4.648	70	1	KJIF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc(S(=O)(=O)F)ccc5Cl)[nH]c4c3)cc2)CC1	587180384	IDWFPGJWGWEOIJ-UHFFFAOYSA-N	556.063	4.584	70	1	KJIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	586927232	VKRFPWQBBCLWKQ-UHFFFAOYSA-N	510.506	4.987	70	1	KJIF	
CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1	73417202	VAIHVLMZTMNPID-UHFFFAOYSA-N	563.594	4.569	70	1	KJIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1S(=O)(=O)Cl	587894960	AZIYCKXNIAIKRE-UHFFFAOYSA-N	551.062	4.512	70	1	KJIF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccc(S(=O)(=O)Cl)c(Cl)c5)[nH]c4c3)cc2)CC1	586926421	AAYXIZLUAPHISI-UHFFFAOYSA-N	572.518	4.853	70	1	KJIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1	586926774	QADAPMLDEKVWCA-UHFFFAOYSA-N	529.203	4.633	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCC(O)(c2ccccc2Cl)CC1	217763704	MCTNWENDXFZBCU-UHFFFAOYSA-N	540.016	4.952	70	1	KJIF	
Cc1cc(Br)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587895193	CZQNHZGBDXKWJA-UHFFFAOYSA-N	509.636	4.702	70	1	KJIF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(Br)c1S(=O)(=O)Cl	587893839	GOEMALSMXBXLLQ-UHFFFAOYSA-N	513.599	4.533	70	1	KJIF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587848303	HWZKTTYFFOTRPE-BMLIUANNSA-N	511.638	4.688	70	1	KJIF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@]2(CCc3cc(S(=O)(=O)Cl)ccc32)N1C(C)=O	963329354	MTANPEGBEGQKCW-HGSAKIFSSA-N	784.265	4.607	70	1	KJIF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1	587552854	CEGKVXXTUMSDKA-RXVVDRJESA-N	559.312	4.878	70	1	KJIF	
COc1cc2c(cc1OC)[C@@]1(c3ccc(S(=O)(=O)Cl)cc3CC1(Cl)Cl)N(C(=O)c1ccccc1N)CC2	963147059	ASHHVBNDDCZTGT-AREMUKBSSA-N	581.905	4.886	70	1	KJIF	
C[C@@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1)C(F)(F)F	217619413	AYRNXOJQACAJDH-HNNXBMFYSA-N	527.590	4.653	70	1	KJIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1Cl	586928878	LCJUVSLSNQVRDO-UHFFFAOYSA-N	606.513	4.718	70	1	KJIF	
C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1	161333482	JIHNXPGNCSRXCP-KOFZLDTLSA-N	686.644	4.926	70	1	KJIF	
COc1cc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924346	BVQXVVGMKAWPAR-UHFFFAOYSA-N	513.719	4.880	70	1	KJIF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587849204	KCGWYHGPZJBIOR-UOWDBTKRSA-N	525.054	4.992	70	1	KJIF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586928002	VRPDUHNKTYTSOO-UHFFFAOYSA-N	512.396	4.620	70	1	KJIF	
CCCC(=O)O[C@@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl	160892432	MVHMLFUBYIRNJA-GRYCIOLGSA-N	659.042	4.573	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccnc2C(F)(F)F)CC1	217622298	WHXWYUSOTBLIBC-UHFFFAOYSA-N	556.566	4.573	70	1	KJIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	586925897	YGGLXFGBYLAAIZ-UHFFFAOYSA-N	599.435	4.742	70	1	KJIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1	587179823	AMSWGJAWTOLSNQ-UHFFFAOYSA-N	500.360	4.996	70	1	KJIF	
CC(C)c1nn(C)c2c1[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)NCC2	962919455	KGJLNYJKADADKU-PMERELPUSA-N	502.042	4.920	70	1	KJIF	
COc1cc2c(cc1OC)[C@@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)N(C(=O)c1ccccc1N)CC2	963134414	CGHVXFJYCSXTNW-MHZLTWQESA-N	529.058	4.812	70	1	KJIF	
O=S(=O)(Cl)c1ccc([C@@]2(CBr)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1	962701287	JYQRBJLHICJVPD-YWZLYKJASA-N	504.874	4.755	70	1	KJIF	
Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)c1	218784336	HROJTKYIOILUTP-WGSUUSPFSA-N	510.700	4.597	70	1	KJIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587845476	AVGMMQIVSITNFW-WJWGPLDTSA-N	525.054	4.992	70	1	KJIF	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1	586926163	IDQRYUNAKJGZMC-UHFFFAOYSA-N	538.150	4.867	70	1	KJIF	
Cc1cc(Br)c(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587895797	JDRARPDTTSVTGG-UHFFFAOYSA-N	509.636	4.702	70	1	KJIF	
C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1	963441329	CJUZQZQRPOMCOY-BKMJKUGQSA-N	558.534	4.812	70	1	KJIF	
COC(=O)C([C@@]1(C2CCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1	963506950	GQAVRGFOIOBATL-ARPOTICCSA-N	593.660	4.634	70	1	KJIF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1	587552855	CEGKVXXTUMSDKA-WIYYLYMNSA-N	559.312	4.878	70	1	KJIF	
COc1ccccc1-c1c(C(N)=O)sc2cnc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)nc12	217657209	YUAGJCVZVLZRDP-UHFFFAOYSA-N	546.697	4.744	70	1	KJIF	
Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cc(F)cc2s1	217617273	LIDKWVVWLBTXAU-UHFFFAOYSA-N	561.060	4.596	70	1	KJIF	
CC(C)[C@H](CP(O)(O)=C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	169721609	OQFMUZIJXRUFEE-YTMVLYRLSA-N	619.655	4.683	70	1	KJIF	
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CCC=C(F)F)CC1	217629342	PIYQMEAMLJMVKO-UHFFFAOYSA-N	507.584	4.625	70	1	KJIF	
COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(OC)c(OC)c(S(=O)(=O)Cl)c5)[nH]c4c3)o2)cc1	586924866	KBEXAUIIALQGIA-UHFFFAOYSA-N	540.985	4.824	70	1	KJIF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)N1	587848307	HWZKTTYFFOTRPE-BTDLBPIBSA-N	511.638	4.688	70	1	KJIF	
COc1cc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925698	UWMMINCBKUMGNE-UHFFFAOYSA-N	513.719	4.880	70	1	KJIF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S(=O)(=O)Cl)c[nH]2)(C(Cl)(Cl)Cl)N1	587849202	KCGWYHGPZJBIOR-JKYUHCHBSA-N	525.054	4.992	70	1	KJIF	
O=C(O)CC[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587359682	IJWQLEKZZLBTPZ-LADGPHEKSA-N	504.919	4.578	70	1	KJIF	
O=C1N(Cc2ccc(CO)cc2)C(Cc2ccccc2)=P(O)(O)[C@H](Cc2ccccc2)N1Cc1ccc(CO)cc1	169721472	LPJNGLWPPCEJAA-WJOKGBTCSA-N	570.626	4.883	70	1	KJIF	
COc1cc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925547	SRHRUOOLXQIODC-UHFFFAOYSA-N	529.718	4.760	70	1	KJIF	
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c1C	218150627	JZZKTJXDYRSUIH-OOAXWGSJSA-N	547.744	4.554	70	1	KJIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1	587180493	JOXJWYRDOAUTDS-UHFFFAOYSA-N	500.360	4.996	70	1	KJIF	
CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587410317	WZAMDPSGNCZSDH-YTTGMZPUSA-N	523.569	4.641	70	1	KJIF